USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=18 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 Set 1.1: A 69 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 72 HIS : no HD1:sc= -0.0373 X(o=-0.037,f=0) USER MOD Set 2.1: A 24 GLN : amide:sc= 0 X(o=0.72,f=0.33) USER MOD Set 2.2: A 56 LYS NZ :NH3+ -152:sc= 0.723 (180deg=0.297) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.104 (180deg=-0.423) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00408) USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= 0.645 (180deg=0.247) USER MOD Single : A 9 SER OG : rot 63:sc= 0.333 USER MOD Single : A 16 LYS NZ :NH3+ 135:sc= -0.0232 (180deg=-0.229) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00457) 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 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc=-0.00563 X(o=-0.0056,f=-0.0083) USER MOD Single : A 43 THR OG1 : rot -81:sc= 0.728 USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0.177 (180deg=0.0971) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 171:sc= -0.563 (180deg=-0.602) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -127:sc= -0.49 (180deg=-3.21!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 0.649 (180deg=0.627) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.000533 USER MOD Single : A 73 HIS : no HD1:sc= -0.0624 X(o=-0.062,f=-0.0013) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0214 X(o=-0.021,f=-0.43) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.328 14.146 -5.283 1.00 74.51 N ATOM 2 CA MET A 1 0.422 12.862 -6.015 1.00 13.45 C ATOM 3 C MET A 1 1.796 12.206 -5.784 1.00 53.32 C ATOM 4 O MET A 1 2.798 12.620 -6.383 1.00 62.32 O ATOM 5 CB MET A 1 0.187 13.075 -7.539 1.00 4.42 C ATOM 6 CG MET A 1 -1.207 13.580 -7.933 1.00 5.24 C ATOM 7 SD MET A 1 -1.410 13.775 -9.722 1.00 72.43 S ATOM 8 CE MET A 1 -0.163 15.006 -10.129 1.00 21.11 C ATOM 0 H1 MET A 1 -0.617 14.557 -5.423 1.00 74.51 H new ATOM 0 H2 MET A 1 0.486 13.980 -4.269 1.00 74.51 H new ATOM 0 H3 MET A 1 1.049 14.804 -5.643 1.00 74.51 H new ATOM 0 HA MET A 1 -0.354 12.200 -5.632 1.00 13.45 H new ATOM 0 HB2 MET A 1 0.928 13.785 -7.906 1.00 4.42 H new ATOM 0 HB3 MET A 1 0.369 12.130 -8.052 1.00 4.42 H new ATOM 0 HG2 MET A 1 -1.958 12.883 -7.562 1.00 5.24 H new ATOM 0 HG3 MET A 1 -1.392 14.537 -7.446 1.00 5.24 H new ATOM 0 HE1 MET A 1 -0.357 15.405 -11.124 1.00 21.11 H new ATOM 0 HE2 MET A 1 -0.199 15.815 -9.400 1.00 21.11 H new ATOM 0 HE3 MET A 1 0.824 14.544 -10.110 1.00 21.11 H new ATOM 20 N VAL A 2 1.854 11.230 -4.869 1.00 24.24 N ATOM 21 CA VAL A 2 3.000 10.315 -4.736 1.00 33.45 C ATOM 22 C VAL A 2 2.484 8.895 -4.993 1.00 33.32 C ATOM 23 O VAL A 2 1.711 8.357 -4.191 1.00 11.21 O ATOM 24 CB VAL A 2 3.682 10.420 -3.322 1.00 4.01 C ATOM 25 CG1 VAL A 2 4.836 9.395 -3.159 1.00 32.54 C ATOM 26 CG2 VAL A 2 4.159 11.868 -3.042 1.00 64.24 C ATOM 0 H VAL A 2 1.107 11.050 -4.198 1.00 24.24 H new ATOM 0 HA VAL A 2 3.770 10.584 -5.459 1.00 33.45 H new ATOM 0 HB VAL A 2 2.929 10.168 -2.575 1.00 4.01 H new ATOM 0 HG11 VAL A 2 5.280 9.501 -2.169 1.00 32.54 H new ATOM 0 HG12 VAL A 2 4.444 8.384 -3.275 1.00 32.54 H new ATOM 0 HG13 VAL A 2 5.596 9.579 -3.919 1.00 32.54 H new ATOM 0 HG21 VAL A 2 4.627 11.913 -2.058 1.00 64.24 H new ATOM 0 HG22 VAL A 2 4.882 12.166 -3.802 1.00 64.24 H new ATOM 0 HG23 VAL A 2 3.304 12.544 -3.069 1.00 64.24 H new ATOM 36 N ASP A 3 2.886 8.307 -6.126 1.00 65.34 N ATOM 37 CA ASP A 3 2.376 7.006 -6.568 1.00 11.22 C ATOM 38 C ASP A 3 3.224 5.865 -5.978 1.00 31.13 C ATOM 39 O ASP A 3 4.446 5.797 -6.182 1.00 61.12 O ATOM 40 CB ASP A 3 2.304 6.929 -8.127 1.00 3.34 C ATOM 41 CG ASP A 3 3.647 7.163 -8.852 1.00 20.55 C ATOM 42 OD1 ASP A 3 4.003 8.343 -9.094 1.00 33.41 O ATOM 43 OD2 ASP A 3 4.322 6.171 -9.228 1.00 0.43 O ATOM 0 H ASP A 3 3.571 8.719 -6.759 1.00 65.34 H new ATOM 0 HA ASP A 3 1.358 6.890 -6.195 1.00 11.22 H new ATOM 0 HB2 ASP A 3 1.921 5.949 -8.411 1.00 3.34 H new ATOM 0 HB3 ASP A 3 1.584 7.667 -8.480 1.00 3.34 H new ATOM 48 N LEU A 4 2.562 5.016 -5.170 1.00 12.21 N ATOM 49 CA LEU A 4 3.111 3.745 -4.686 1.00 71.43 C ATOM 50 C LEU A 4 2.293 2.609 -5.327 1.00 13.03 C ATOM 51 O LEU A 4 1.111 2.457 -5.018 1.00 2.31 O ATOM 52 CB LEU A 4 3.024 3.667 -3.128 1.00 51.04 C ATOM 53 CG LEU A 4 3.733 4.803 -2.320 1.00 42.24 C ATOM 54 CD1 LEU A 4 3.545 4.591 -0.798 1.00 11.12 C ATOM 55 CD2 LEU A 4 5.232 4.918 -2.694 1.00 52.14 C ATOM 0 H LEU A 4 1.617 5.201 -4.833 1.00 12.21 H new ATOM 0 HA LEU A 4 4.162 3.659 -4.960 1.00 71.43 H new ATOM 0 HB2 LEU A 4 1.971 3.658 -2.847 1.00 51.04 H new ATOM 0 HB3 LEU A 4 3.446 2.713 -2.812 1.00 51.04 H new ATOM 0 HG LEU A 4 3.262 5.748 -2.590 1.00 42.24 H new ATOM 0 HD11 LEU A 4 4.046 5.392 -0.254 1.00 11.12 H new ATOM 0 HD12 LEU A 4 2.482 4.599 -0.558 1.00 11.12 H new ATOM 0 HD13 LEU A 4 3.975 3.632 -0.508 1.00 11.12 H new ATOM 0 HD21 LEU A 4 5.692 5.717 -2.113 1.00 52.14 H new ATOM 0 HD22 LEU A 4 5.735 3.976 -2.476 1.00 52.14 H new ATOM 0 HD23 LEU A 4 5.326 5.142 -3.757 1.00 52.14 H new ATOM 67 N LYS A 5 2.897 1.841 -6.243 1.00 43.43 N ATOM 68 CA LYS A 5 2.240 0.677 -6.868 1.00 31.31 C ATOM 69 C LYS A 5 2.942 -0.596 -6.390 1.00 54.10 C ATOM 70 O LYS A 5 4.076 -0.869 -6.786 1.00 1.24 O ATOM 71 CB LYS A 5 2.273 0.811 -8.415 1.00 30.32 C ATOM 72 CG LYS A 5 1.678 -0.389 -9.184 1.00 22.12 C ATOM 73 CD LYS A 5 1.718 -0.186 -10.715 1.00 64.52 C ATOM 74 CE LYS A 5 1.309 -1.451 -11.482 1.00 25.25 C ATOM 75 NZ LYS A 5 2.246 -2.588 -11.251 1.00 11.24 N ATOM 0 H LYS A 5 3.848 2.004 -6.573 1.00 43.43 H new ATOM 0 HA LYS A 5 1.192 0.628 -6.573 1.00 31.31 H new ATOM 0 HB2 LYS A 5 1.729 1.712 -8.699 1.00 30.32 H new ATOM 0 HB3 LYS A 5 3.307 0.950 -8.731 1.00 30.32 H new ATOM 0 HG2 LYS A 5 2.230 -1.293 -8.926 1.00 22.12 H new ATOM 0 HG3 LYS A 5 0.647 -0.544 -8.868 1.00 22.12 H new ATOM 0 HD2 LYS A 5 1.052 0.633 -10.988 1.00 64.52 H new ATOM 0 HD3 LYS A 5 2.724 0.108 -11.014 1.00 64.52 H new ATOM 0 HE2 LYS A 5 0.304 -1.746 -11.180 1.00 25.25 H new ATOM 0 HE3 LYS A 5 1.269 -1.228 -12.548 1.00 25.25 H new ATOM 0 HZ1 LYS A 5 2.084 -3.323 -11.969 1.00 11.24 H new ATOM 0 HZ2 LYS A 5 3.227 -2.249 -11.319 1.00 11.24 H new ATOM 0 HZ3 LYS A 5 2.082 -2.986 -10.304 1.00 11.24 H new ATOM 89 N ILE A 6 2.260 -1.372 -5.540 1.00 24.12 N ATOM 90 CA ILE A 6 2.849 -2.533 -4.859 1.00 14.14 C ATOM 91 C ILE A 6 2.333 -3.813 -5.526 1.00 45.03 C ATOM 92 O ILE A 6 1.129 -4.008 -5.600 1.00 61.21 O ATOM 93 CB ILE A 6 2.482 -2.599 -3.319 1.00 53.53 C ATOM 94 CG1 ILE A 6 2.911 -1.299 -2.540 1.00 53.50 C ATOM 95 CG2 ILE A 6 3.105 -3.869 -2.671 1.00 43.43 C ATOM 96 CD1 ILE A 6 1.985 -0.094 -2.684 1.00 62.32 C ATOM 0 H ILE A 6 1.281 -1.213 -5.304 1.00 24.12 H new ATOM 0 HA ILE A 6 3.932 -2.436 -4.941 1.00 14.14 H new ATOM 0 HB ILE A 6 1.396 -2.660 -3.246 1.00 53.53 H new ATOM 0 HG12 ILE A 6 2.992 -1.545 -1.481 1.00 53.50 H new ATOM 0 HG13 ILE A 6 3.906 -1.009 -2.878 1.00 53.50 H new ATOM 0 HG21 ILE A 6 2.845 -3.902 -1.613 1.00 43.43 H new ATOM 0 HG22 ILE A 6 2.717 -4.758 -3.168 1.00 43.43 H new ATOM 0 HG23 ILE A 6 4.189 -3.837 -2.778 1.00 43.43 H new ATOM 0 HD11 ILE A 6 2.381 0.740 -2.105 1.00 62.32 H new ATOM 0 HD12 ILE A 6 1.920 0.191 -3.734 1.00 62.32 H new ATOM 0 HD13 ILE A 6 0.992 -0.352 -2.316 1.00 62.32 H new ATOM 108 N ASP A 7 3.242 -4.688 -5.984 1.00 3.12 N ATOM 109 CA ASP A 7 2.868 -6.021 -6.479 1.00 12.41 C ATOM 110 C ASP A 7 2.430 -6.883 -5.288 1.00 63.24 C ATOM 111 O ASP A 7 3.172 -6.982 -4.301 1.00 53.44 O ATOM 112 CB ASP A 7 4.061 -6.693 -7.207 1.00 52.21 C ATOM 113 CG ASP A 7 3.743 -8.131 -7.684 1.00 50.32 C ATOM 114 OD1 ASP A 7 3.138 -8.297 -8.769 1.00 11.44 O ATOM 115 OD2 ASP A 7 4.098 -9.103 -6.974 1.00 62.50 O ATOM 0 H ASP A 7 4.243 -4.495 -6.022 1.00 3.12 H new ATOM 0 HA ASP A 7 2.050 -5.923 -7.192 1.00 12.41 H new ATOM 0 HB2 ASP A 7 4.345 -6.085 -8.066 1.00 52.21 H new ATOM 0 HB3 ASP A 7 4.921 -6.720 -6.537 1.00 52.21 H new ATOM 120 N VAL A 8 1.236 -7.485 -5.381 1.00 62.21 N ATOM 121 CA VAL A 8 0.695 -8.401 -4.369 1.00 61.14 C ATOM 122 C VAL A 8 0.388 -9.743 -5.063 1.00 1.55 C ATOM 123 O VAL A 8 -0.297 -9.788 -6.097 1.00 5.23 O ATOM 124 CB VAL A 8 -0.588 -7.828 -3.641 1.00 52.42 C ATOM 125 CG1 VAL A 8 -0.237 -6.611 -2.745 1.00 23.50 C ATOM 126 CG2 VAL A 8 -1.713 -7.467 -4.646 1.00 13.00 C ATOM 0 H VAL A 8 0.610 -7.347 -6.174 1.00 62.21 H new ATOM 0 HA VAL A 8 1.438 -8.535 -3.582 1.00 61.14 H new ATOM 0 HB VAL A 8 -0.966 -8.623 -2.998 1.00 52.42 H new ATOM 0 HG11 VAL A 8 -1.141 -6.243 -2.261 1.00 23.50 H new ATOM 0 HG12 VAL A 8 0.484 -6.914 -1.986 1.00 23.50 H new ATOM 0 HG13 VAL A 8 0.194 -5.820 -3.359 1.00 23.50 H new ATOM 0 HG21 VAL A 8 -2.574 -7.078 -4.103 1.00 13.00 H new ATOM 0 HG22 VAL A 8 -1.350 -6.711 -5.342 1.00 13.00 H new ATOM 0 HG23 VAL A 8 -2.006 -8.359 -5.200 1.00 13.00 H new ATOM 136 N SER A 9 0.943 -10.825 -4.508 1.00 21.24 N ATOM 137 CA SER A 9 0.835 -12.172 -5.072 1.00 44.12 C ATOM 138 C SER A 9 -0.550 -12.791 -4.811 1.00 51.22 C ATOM 139 O SER A 9 -0.990 -13.665 -5.564 1.00 21.12 O ATOM 140 CB SER A 9 1.960 -13.060 -4.487 1.00 11.03 C ATOM 141 OG SER A 9 1.978 -13.041 -3.064 1.00 40.40 O ATOM 0 H SER A 9 1.486 -10.789 -3.645 1.00 21.24 H new ATOM 0 HA SER A 9 0.950 -12.107 -6.154 1.00 44.12 H new ATOM 0 HB2 SER A 9 1.828 -14.085 -4.833 1.00 11.03 H new ATOM 0 HB3 SER A 9 2.923 -12.718 -4.865 1.00 11.03 H new ATOM 0 HG SER A 9 1.140 -13.417 -2.721 1.00 40.40 H new ATOM 147 N ASP A 10 -1.241 -12.323 -3.752 1.00 1.44 N ATOM 148 CA ASP A 10 -2.545 -12.880 -3.336 1.00 2.55 C ATOM 149 C ASP A 10 -3.619 -11.785 -3.344 1.00 51.13 C ATOM 150 O ASP A 10 -3.303 -10.590 -3.297 1.00 72.33 O ATOM 151 CB ASP A 10 -2.458 -13.502 -1.916 1.00 64.15 C ATOM 152 CG ASP A 10 -1.276 -14.460 -1.731 1.00 14.14 C ATOM 153 OD1 ASP A 10 -1.407 -15.659 -2.055 1.00 34.40 O ATOM 154 OD2 ASP A 10 -0.210 -14.020 -1.257 1.00 75.52 O ATOM 0 H ASP A 10 -0.915 -11.555 -3.165 1.00 1.44 H new ATOM 0 HA ASP A 10 -2.815 -13.661 -4.047 1.00 2.55 H new ATOM 0 HB2 ASP A 10 -2.381 -12.700 -1.182 1.00 64.15 H new ATOM 0 HB3 ASP A 10 -3.384 -14.038 -1.707 1.00 64.15 H new ATOM 159 N ASP A 11 -4.891 -12.214 -3.364 1.00 71.02 N ATOM 160 CA ASP A 11 -6.052 -11.308 -3.396 1.00 33.35 C ATOM 161 C ASP A 11 -6.425 -10.850 -1.975 1.00 33.41 C ATOM 162 O ASP A 11 -6.770 -9.684 -1.774 1.00 21.22 O ATOM 163 CB ASP A 11 -7.260 -11.969 -4.114 1.00 72.31 C ATOM 164 CG ASP A 11 -7.718 -13.294 -3.474 1.00 62.24 C ATOM 165 OD1 ASP A 11 -6.977 -14.293 -3.576 1.00 2.50 O ATOM 166 OD2 ASP A 11 -8.824 -13.348 -2.888 1.00 31.40 O ATOM 0 H ASP A 11 -5.145 -13.202 -3.358 1.00 71.02 H new ATOM 0 HA ASP A 11 -5.776 -10.424 -3.970 1.00 33.35 H new ATOM 0 HB2 ASP A 11 -8.096 -11.270 -4.116 1.00 72.31 H new ATOM 0 HB3 ASP A 11 -6.995 -12.152 -5.155 1.00 72.31 H new ATOM 171 N GLU A 12 -6.374 -11.767 -0.986 1.00 2.14 N ATOM 172 CA GLU A 12 -6.580 -11.397 0.430 1.00 61.03 C ATOM 173 C GLU A 12 -5.449 -10.467 0.908 1.00 72.54 C ATOM 174 O GLU A 12 -5.705 -9.475 1.599 1.00 4.11 O ATOM 175 CB GLU A 12 -6.674 -12.637 1.357 1.00 10.13 C ATOM 176 CG GLU A 12 -6.955 -12.270 2.829 1.00 22.43 C ATOM 177 CD GLU A 12 -7.035 -13.475 3.771 1.00 63.13 C ATOM 178 OE1 GLU A 12 -5.970 -14.000 4.166 1.00 72.15 O ATOM 179 OE2 GLU A 12 -8.158 -13.892 4.132 1.00 22.22 O ATOM 0 H GLU A 12 -6.194 -12.759 -1.139 1.00 2.14 H new ATOM 0 HA GLU A 12 -7.534 -10.874 0.489 1.00 61.03 H new ATOM 0 HB2 GLU A 12 -7.464 -13.295 0.995 1.00 10.13 H new ATOM 0 HB3 GLU A 12 -5.741 -13.198 1.300 1.00 10.13 H new ATOM 0 HG2 GLU A 12 -6.171 -11.599 3.181 1.00 22.43 H new ATOM 0 HG3 GLU A 12 -7.894 -11.719 2.882 1.00 22.43 H new ATOM 186 N GLU A 13 -4.208 -10.794 0.481 1.00 2.02 N ATOM 187 CA GLU A 13 -2.985 -10.032 0.816 1.00 60.43 C ATOM 188 C GLU A 13 -3.113 -8.568 0.372 1.00 44.41 C ATOM 189 O GLU A 13 -2.680 -7.656 1.081 1.00 20.12 O ATOM 190 CB GLU A 13 -1.756 -10.702 0.159 1.00 10.32 C ATOM 191 CG GLU A 13 -0.424 -9.963 0.348 1.00 54.22 C ATOM 192 CD GLU A 13 0.747 -10.638 -0.376 1.00 24.41 C ATOM 193 OE1 GLU A 13 0.705 -10.736 -1.619 1.00 15.34 O ATOM 194 OE2 GLU A 13 1.721 -11.059 0.282 1.00 72.54 O ATOM 0 H GLU A 13 -4.027 -11.604 -0.112 1.00 2.02 H new ATOM 0 HA GLU A 13 -2.852 -10.038 1.898 1.00 60.43 H new ATOM 0 HB2 GLU A 13 -1.654 -11.709 0.562 1.00 10.32 H new ATOM 0 HB3 GLU A 13 -1.947 -10.804 -0.909 1.00 10.32 H new ATOM 0 HG2 GLU A 13 -0.528 -8.941 -0.016 1.00 54.22 H new ATOM 0 HG3 GLU A 13 -0.198 -9.901 1.412 1.00 54.22 H new ATOM 201 N ALA A 14 -3.750 -8.371 -0.792 1.00 15.31 N ATOM 202 CA ALA A 14 -4.069 -7.039 -1.319 1.00 34.32 C ATOM 203 C ALA A 14 -4.954 -6.246 -0.329 1.00 43.23 C ATOM 204 O ALA A 14 -4.663 -5.090 -0.023 1.00 73.24 O ATOM 205 CB ALA A 14 -4.748 -7.169 -2.684 1.00 12.11 C ATOM 0 H ALA A 14 -4.058 -9.134 -1.395 1.00 15.31 H new ATOM 0 HA ALA A 14 -3.141 -6.481 -1.443 1.00 34.32 H new ATOM 0 HB1 ALA A 14 -4.982 -6.177 -3.070 1.00 12.11 H new ATOM 0 HB2 ALA A 14 -4.078 -7.679 -3.376 1.00 12.11 H new ATOM 0 HB3 ALA A 14 -5.668 -7.744 -2.579 1.00 12.11 H new ATOM 211 N GLU A 15 -6.010 -6.903 0.197 1.00 1.04 N ATOM 212 CA GLU A 15 -6.950 -6.285 1.168 1.00 31.05 C ATOM 213 C GLU A 15 -6.293 -6.056 2.532 1.00 41.33 C ATOM 214 O GLU A 15 -6.719 -5.176 3.292 1.00 52.04 O ATOM 215 CB GLU A 15 -8.221 -7.152 1.317 1.00 40.23 C ATOM 216 CG GLU A 15 -9.097 -7.197 0.056 1.00 3.12 C ATOM 217 CD GLU A 15 -10.337 -8.076 0.221 1.00 42.22 C ATOM 218 OE1 GLU A 15 -11.219 -7.718 1.034 1.00 15.43 O ATOM 219 OE2 GLU A 15 -10.432 -9.125 -0.456 1.00 12.14 O ATOM 0 H GLU A 15 -6.237 -7.870 -0.035 1.00 1.04 H new ATOM 0 HA GLU A 15 -7.232 -5.309 0.774 1.00 31.05 H new ATOM 0 HB2 GLU A 15 -7.927 -8.168 1.579 1.00 40.23 H new ATOM 0 HB3 GLU A 15 -8.815 -6.768 2.146 1.00 40.23 H new ATOM 0 HG2 GLU A 15 -9.408 -6.184 -0.200 1.00 3.12 H new ATOM 0 HG3 GLU A 15 -8.503 -7.569 -0.779 1.00 3.12 H new ATOM 226 N LYS A 16 -5.250 -6.846 2.830 1.00 60.21 N ATOM 227 CA LYS A 16 -4.448 -6.681 4.052 1.00 11.05 C ATOM 228 C LYS A 16 -3.655 -5.365 3.981 1.00 24.23 C ATOM 229 O LYS A 16 -3.497 -4.681 4.989 1.00 30.04 O ATOM 230 CB LYS A 16 -3.477 -7.876 4.237 1.00 34.13 C ATOM 231 CG LYS A 16 -4.150 -9.250 4.417 1.00 43.42 C ATOM 232 CD LYS A 16 -4.915 -9.387 5.746 1.00 54.42 C ATOM 233 CE LYS A 16 -5.508 -10.792 5.939 1.00 24.05 C ATOM 234 NZ LYS A 16 -4.476 -11.864 5.862 1.00 72.22 N ATOM 0 H LYS A 16 -4.940 -7.613 2.234 1.00 60.21 H new ATOM 0 HA LYS A 16 -5.122 -6.650 4.908 1.00 11.05 H new ATOM 0 HB2 LYS A 16 -2.817 -7.924 3.371 1.00 34.13 H new ATOM 0 HB3 LYS A 16 -2.849 -7.681 5.106 1.00 34.13 H new ATOM 0 HG2 LYS A 16 -4.840 -9.419 3.590 1.00 43.42 H new ATOM 0 HG3 LYS A 16 -3.389 -10.029 4.362 1.00 43.42 H new ATOM 0 HD2 LYS A 16 -4.242 -9.163 6.574 1.00 54.42 H new ATOM 0 HD3 LYS A 16 -5.717 -8.650 5.778 1.00 54.42 H new ATOM 0 HE2 LYS A 16 -6.007 -10.842 6.907 1.00 24.05 H new ATOM 0 HE3 LYS A 16 -6.268 -10.969 5.178 1.00 24.05 H new ATOM 0 HZ1 LYS A 16 -4.622 -12.542 6.637 1.00 72.22 H new ATOM 0 HZ2 LYS A 16 -4.556 -12.358 4.950 1.00 72.22 H new ATOM 0 HZ3 LYS A 16 -3.529 -11.441 5.945 1.00 72.22 H new ATOM 248 N ILE A 17 -3.167 -5.032 2.763 1.00 14.22 N ATOM 249 CA ILE A 17 -2.443 -3.771 2.495 1.00 53.30 C ATOM 250 C ILE A 17 -3.408 -2.575 2.585 1.00 54.42 C ATOM 251 O ILE A 17 -3.091 -1.558 3.204 1.00 13.53 O ATOM 252 CB ILE A 17 -1.745 -3.779 1.078 1.00 42.32 C ATOM 253 CG1 ILE A 17 -0.841 -5.040 0.899 1.00 45.33 C ATOM 254 CG2 ILE A 17 -0.936 -2.482 0.833 1.00 24.22 C ATOM 255 CD1 ILE A 17 0.175 -5.268 2.005 1.00 3.33 C ATOM 0 H ILE A 17 -3.265 -5.629 1.942 1.00 14.22 H new ATOM 0 HA ILE A 17 -1.665 -3.678 3.253 1.00 53.30 H new ATOM 0 HB ILE A 17 -2.536 -3.822 0.329 1.00 42.32 H new ATOM 0 HG12 ILE A 17 -1.481 -5.919 0.828 1.00 45.33 H new ATOM 0 HG13 ILE A 17 -0.310 -4.955 -0.049 1.00 45.33 H new ATOM 0 HG21 ILE A 17 -0.470 -2.524 -0.152 1.00 24.22 H new ATOM 0 HG22 ILE A 17 -1.604 -1.622 0.882 1.00 24.22 H new ATOM 0 HG23 ILE A 17 -0.163 -2.385 1.596 1.00 24.22 H new ATOM 0 HD11 ILE A 17 0.753 -6.167 1.789 1.00 3.33 H new ATOM 0 HD12 ILE A 17 0.846 -4.411 2.065 1.00 3.33 H new ATOM 0 HD13 ILE A 17 -0.344 -5.390 2.956 1.00 3.33 H new ATOM 267 N ILE A 18 -4.589 -2.736 1.951 1.00 24.41 N ATOM 268 CA ILE A 18 -5.677 -1.736 1.951 1.00 11.03 C ATOM 269 C ILE A 18 -6.037 -1.337 3.399 1.00 30.31 C ATOM 270 O ILE A 18 -5.966 -0.155 3.767 1.00 44.23 O ATOM 271 CB ILE A 18 -6.952 -2.301 1.197 1.00 52.24 C ATOM 272 CG1 ILE A 18 -6.625 -2.558 -0.314 1.00 73.34 C ATOM 273 CG2 ILE A 18 -8.182 -1.369 1.359 1.00 1.22 C ATOM 274 CD1 ILE A 18 -7.748 -3.187 -1.122 1.00 63.24 C ATOM 0 H ILE A 18 -4.816 -3.575 1.418 1.00 24.41 H new ATOM 0 HA ILE A 18 -5.332 -0.848 1.422 1.00 11.03 H new ATOM 0 HB ILE A 18 -7.216 -3.253 1.658 1.00 52.24 H new ATOM 0 HG12 ILE A 18 -6.354 -1.609 -0.777 1.00 73.34 H new ATOM 0 HG13 ILE A 18 -5.749 -3.204 -0.375 1.00 73.34 H new ATOM 0 HG21 ILE A 18 -9.033 -1.794 0.827 1.00 1.22 H new ATOM 0 HG22 ILE A 18 -8.427 -1.271 2.416 1.00 1.22 H new ATOM 0 HG23 ILE A 18 -7.951 -0.386 0.948 1.00 1.22 H new ATOM 0 HD11 ILE A 18 -7.422 -3.323 -2.153 1.00 63.24 H new ATOM 0 HD12 ILE A 18 -8.008 -4.155 -0.692 1.00 63.24 H new ATOM 0 HD13 ILE A 18 -8.621 -2.535 -1.101 1.00 63.24 H new ATOM 286 N ARG A 19 -6.352 -2.358 4.208 1.00 14.01 N ATOM 287 CA ARG A 19 -6.750 -2.198 5.616 1.00 4.43 C ATOM 288 C ARG A 19 -5.635 -1.506 6.429 1.00 33.12 C ATOM 289 O ARG A 19 -5.878 -0.503 7.100 1.00 32.53 O ATOM 290 CB ARG A 19 -7.079 -3.590 6.220 1.00 4.13 C ATOM 291 CG ARG A 19 -7.516 -3.564 7.699 1.00 72.31 C ATOM 292 CD ARG A 19 -7.667 -4.970 8.304 1.00 72.54 C ATOM 293 NE ARG A 19 -7.971 -4.914 9.746 1.00 71.41 N ATOM 294 CZ ARG A 19 -8.465 -5.933 10.480 1.00 23.22 C ATOM 295 NH1 ARG A 19 -8.730 -7.114 9.935 1.00 62.24 N ATOM 296 NH2 ARG A 19 -8.675 -5.753 11.773 1.00 74.05 N ATOM 0 H ARG A 19 -6.338 -3.330 3.901 1.00 14.01 H new ATOM 0 HA ARG A 19 -7.637 -1.566 5.662 1.00 4.43 H new ATOM 0 HB2 ARG A 19 -7.872 -4.049 5.629 1.00 4.13 H new ATOM 0 HB3 ARG A 19 -6.201 -4.229 6.126 1.00 4.13 H new ATOM 0 HG2 ARG A 19 -6.784 -3.001 8.279 1.00 72.31 H new ATOM 0 HG3 ARG A 19 -8.465 -3.034 7.783 1.00 72.31 H new ATOM 0 HD2 ARG A 19 -8.462 -5.506 7.785 1.00 72.54 H new ATOM 0 HD3 ARG A 19 -6.747 -5.534 8.148 1.00 72.54 H new ATOM 0 HE ARG A 19 -7.793 -4.033 10.228 1.00 71.41 H new ATOM 0 HH11 ARG A 19 -8.561 -7.266 8.941 1.00 62.24 H new ATOM 0 HH12 ARG A 19 -9.103 -7.869 10.510 1.00 62.24 H new ATOM 0 HH21 ARG A 19 -8.464 -4.853 12.203 1.00 74.05 H new ATOM 0 HH22 ARG A 19 -9.048 -6.514 12.340 1.00 74.05 H new ATOM 310 N GLU A 20 -4.409 -2.047 6.302 1.00 4.14 N ATOM 311 CA GLU A 20 -3.207 -1.596 7.037 1.00 1.12 C ATOM 312 C GLU A 20 -2.946 -0.086 6.846 1.00 4.12 C ATOM 313 O GLU A 20 -2.742 0.654 7.826 1.00 41.43 O ATOM 314 CB GLU A 20 -1.998 -2.440 6.559 1.00 23.24 C ATOM 315 CG GLU A 20 -0.622 -2.032 7.108 1.00 32.04 C ATOM 316 CD GLU A 20 -0.492 -2.068 8.639 1.00 71.24 C ATOM 317 OE1 GLU A 20 -0.636 -3.160 9.236 1.00 63.13 O ATOM 318 OE2 GLU A 20 -0.236 -1.011 9.259 1.00 12.35 O ATOM 0 H GLU A 20 -4.220 -2.827 5.672 1.00 4.14 H new ATOM 0 HA GLU A 20 -3.364 -1.744 8.105 1.00 1.12 H new ATOM 0 HB2 GLU A 20 -2.179 -3.480 6.829 1.00 23.24 H new ATOM 0 HB3 GLU A 20 -1.959 -2.395 5.471 1.00 23.24 H new ATOM 0 HG2 GLU A 20 0.133 -2.692 6.680 1.00 32.04 H new ATOM 0 HG3 GLU A 20 -0.396 -1.023 6.764 1.00 32.04 H new ATOM 325 N ILE A 21 -2.992 0.359 5.582 1.00 65.32 N ATOM 326 CA ILE A 21 -2.789 1.773 5.225 1.00 40.33 C ATOM 327 C ILE A 21 -3.938 2.645 5.772 1.00 12.22 C ATOM 328 O ILE A 21 -3.701 3.729 6.294 1.00 11.32 O ATOM 329 CB ILE A 21 -2.669 1.969 3.666 1.00 64.40 C ATOM 330 CG1 ILE A 21 -1.478 1.143 3.080 1.00 24.12 C ATOM 331 CG2 ILE A 21 -2.539 3.465 3.287 1.00 74.20 C ATOM 332 CD1 ILE A 21 -0.106 1.500 3.631 1.00 65.41 C ATOM 0 H ILE A 21 -3.170 -0.247 4.781 1.00 65.32 H new ATOM 0 HA ILE A 21 -1.851 2.088 5.681 1.00 40.33 H new ATOM 0 HB ILE A 21 -3.591 1.594 3.223 1.00 64.40 H new ATOM 0 HG12 ILE A 21 -1.663 0.086 3.269 1.00 24.12 H new ATOM 0 HG13 ILE A 21 -1.463 1.276 1.998 1.00 24.12 H new ATOM 0 HG21 ILE A 21 -2.458 3.560 2.204 1.00 74.20 H new ATOM 0 HG22 ILE A 21 -3.419 4.006 3.634 1.00 74.20 H new ATOM 0 HG23 ILE A 21 -1.648 3.883 3.755 1.00 74.20 H new ATOM 0 HD11 ILE A 21 0.650 0.871 3.161 1.00 65.41 H new ATOM 0 HD12 ILE A 21 0.110 2.547 3.419 1.00 65.41 H new ATOM 0 HD13 ILE A 21 -0.093 1.338 4.709 1.00 65.41 H new ATOM 344 N ARG A 22 -5.179 2.133 5.691 1.00 43.14 N ATOM 345 CA ARG A 22 -6.382 2.909 6.060 1.00 20.54 C ATOM 346 C ARG A 22 -6.581 3.021 7.592 1.00 2.20 C ATOM 347 O ARG A 22 -7.269 3.940 8.053 1.00 5.53 O ATOM 348 CB ARG A 22 -7.640 2.318 5.378 1.00 44.31 C ATOM 349 CG ARG A 22 -7.666 2.499 3.841 1.00 21.32 C ATOM 350 CD ARG A 22 -8.915 1.876 3.182 1.00 24.41 C ATOM 351 NE ARG A 22 -8.924 2.015 1.707 1.00 64.01 N ATOM 352 CZ ARG A 22 -9.768 2.784 0.997 1.00 5.33 C ATOM 353 NH1 ARG A 22 -10.699 3.515 1.598 1.00 70.34 N ATOM 354 NH2 ARG A 22 -9.707 2.770 -0.323 1.00 21.43 N ATOM 0 H ARG A 22 -5.378 1.184 5.373 1.00 43.14 H new ATOM 0 HA ARG A 22 -6.227 3.925 5.696 1.00 20.54 H new ATOM 0 HB2 ARG A 22 -7.701 1.255 5.609 1.00 44.31 H new ATOM 0 HB3 ARG A 22 -8.526 2.788 5.804 1.00 44.31 H new ATOM 0 HG2 ARG A 22 -7.630 3.563 3.605 1.00 21.32 H new ATOM 0 HG3 ARG A 22 -6.772 2.047 3.412 1.00 21.32 H new ATOM 0 HD2 ARG A 22 -8.966 0.819 3.442 1.00 24.41 H new ATOM 0 HD3 ARG A 22 -9.808 2.348 3.591 1.00 24.41 H new ATOM 0 HE ARG A 22 -8.230 1.481 1.185 1.00 64.01 H new ATOM 0 HH11 ARG A 22 -10.783 3.499 2.614 1.00 70.34 H new ATOM 0 HH12 ARG A 22 -11.331 4.093 1.043 1.00 70.34 H new ATOM 0 HH21 ARG A 22 -9.023 2.179 -0.796 1.00 21.43 H new ATOM 0 HH22 ARG A 22 -10.344 3.350 -0.869 1.00 21.43 H new ATOM 368 N GLU A 23 -5.978 2.104 8.377 1.00 44.42 N ATOM 369 CA GLU A 23 -6.087 2.122 9.859 1.00 21.53 C ATOM 370 C GLU A 23 -5.184 3.220 10.467 1.00 5.45 C ATOM 371 O GLU A 23 -5.532 3.813 11.493 1.00 20.41 O ATOM 372 CB GLU A 23 -5.753 0.727 10.457 1.00 55.23 C ATOM 373 CG GLU A 23 -6.805 -0.365 10.161 1.00 70.41 C ATOM 374 CD GLU A 23 -6.385 -1.764 10.658 1.00 20.10 C ATOM 375 OE1 GLU A 23 -5.371 -2.297 10.161 1.00 64.25 O ATOM 376 OE2 GLU A 23 -7.069 -2.349 11.531 1.00 64.43 O ATOM 0 H GLU A 23 -5.409 1.340 8.013 1.00 44.42 H new ATOM 0 HA GLU A 23 -7.119 2.358 10.118 1.00 21.53 H new ATOM 0 HB2 GLU A 23 -4.789 0.400 10.068 1.00 55.23 H new ATOM 0 HB3 GLU A 23 -5.644 0.825 11.537 1.00 55.23 H new ATOM 0 HG2 GLU A 23 -7.749 -0.088 10.631 1.00 70.41 H new ATOM 0 HG3 GLU A 23 -6.984 -0.407 9.087 1.00 70.41 H new ATOM 383 N GLN A 24 -4.030 3.481 9.827 1.00 14.05 N ATOM 384 CA GLN A 24 -3.134 4.591 10.220 1.00 75.24 C ATOM 385 C GLN A 24 -3.607 5.892 9.542 1.00 52.32 C ATOM 386 O GLN A 24 -3.816 6.911 10.207 1.00 74.34 O ATOM 387 CB GLN A 24 -1.652 4.280 9.854 1.00 12.35 C ATOM 388 CG GLN A 24 -1.013 3.133 10.656 1.00 42.13 C ATOM 389 CD GLN A 24 0.420 2.807 10.217 1.00 10.44 C ATOM 390 OE1 GLN A 24 0.638 1.968 9.346 1.00 61.12 O ATOM 391 NE2 GLN A 24 1.407 3.482 10.798 1.00 70.25 N ATOM 0 H GLN A 24 -3.692 2.938 9.032 1.00 14.05 H new ATOM 0 HA GLN A 24 -3.179 4.713 11.302 1.00 75.24 H new ATOM 0 HB2 GLN A 24 -1.599 4.036 8.793 1.00 12.35 H new ATOM 0 HB3 GLN A 24 -1.059 5.182 10.003 1.00 12.35 H new ATOM 0 HG2 GLN A 24 -1.010 3.397 11.714 1.00 42.13 H new ATOM 0 HG3 GLN A 24 -1.629 2.240 10.552 1.00 42.13 H new ATOM 0 HE21 GLN A 24 1.197 4.173 11.518 1.00 70.25 H new ATOM 0 HE22 GLN A 24 2.374 3.309 10.523 1.00 70.25 H new ATOM 400 N TRP A 25 -3.795 5.825 8.217 1.00 33.23 N ATOM 401 CA TRP A 25 -4.226 6.966 7.382 1.00 61.04 C ATOM 402 C TRP A 25 -5.626 6.679 6.787 1.00 1.44 C ATOM 403 O TRP A 25 -5.725 6.033 5.738 1.00 15.01 O ATOM 404 CB TRP A 25 -3.213 7.213 6.224 1.00 50.11 C ATOM 405 CG TRP A 25 -1.784 7.415 6.654 1.00 23.14 C ATOM 406 CD1 TRP A 25 -1.187 8.584 7.042 1.00 1.24 C ATOM 407 CD2 TRP A 25 -0.772 6.405 6.731 1.00 24.24 C ATOM 408 NE1 TRP A 25 0.126 8.354 7.359 1.00 51.41 N ATOM 409 CE2 TRP A 25 0.403 7.026 7.177 1.00 13.20 C ATOM 410 CE3 TRP A 25 -0.754 5.032 6.464 1.00 1.31 C ATOM 411 CZ2 TRP A 25 1.581 6.318 7.374 1.00 63.33 C ATOM 412 CZ3 TRP A 25 0.414 4.330 6.659 1.00 33.23 C ATOM 413 CH2 TRP A 25 1.568 4.974 7.109 1.00 40.21 C ATOM 0 H TRP A 25 -3.651 4.968 7.683 1.00 33.23 H new ATOM 0 HA TRP A 25 -4.268 7.857 8.009 1.00 61.04 H new ATOM 0 HB2 TRP A 25 -3.253 6.365 5.540 1.00 50.11 H new ATOM 0 HB3 TRP A 25 -3.534 8.090 5.663 1.00 50.11 H new ATOM 0 HD1 TRP A 25 -1.678 9.545 7.091 1.00 1.24 H new ATOM 0 HE1 TRP A 25 0.790 9.059 7.679 1.00 51.41 H new ATOM 0 HE3 TRP A 25 -1.643 4.530 6.110 1.00 1.31 H new ATOM 0 HZ2 TRP A 25 2.477 6.810 7.724 1.00 63.33 H new ATOM 0 HZ3 TRP A 25 0.438 3.268 6.462 1.00 33.23 H new ATOM 0 HH2 TRP A 25 2.471 4.399 7.251 1.00 40.21 H new ATOM 424 N PRO A 26 -6.744 7.125 7.448 1.00 40.22 N ATOM 425 CA PRO A 26 -8.114 6.963 6.892 1.00 52.33 C ATOM 426 C PRO A 26 -8.348 7.859 5.654 1.00 13.21 C ATOM 427 O PRO A 26 -9.203 7.568 4.819 1.00 21.15 O ATOM 428 CB PRO A 26 -9.026 7.371 8.073 1.00 20.11 C ATOM 429 CG PRO A 26 -8.191 8.305 8.896 1.00 32.14 C ATOM 430 CD PRO A 26 -6.767 7.802 8.776 1.00 34.14 C ATOM 0 HA PRO A 26 -8.305 5.951 6.534 1.00 52.33 H new ATOM 0 HB2 PRO A 26 -9.935 7.859 7.721 1.00 20.11 H new ATOM 0 HB3 PRO A 26 -9.335 6.501 8.653 1.00 20.11 H new ATOM 0 HG2 PRO A 26 -8.276 9.329 8.532 1.00 32.14 H new ATOM 0 HG3 PRO A 26 -8.518 8.308 9.936 1.00 32.14 H new ATOM 0 HD2 PRO A 26 -6.048 8.620 8.821 1.00 34.14 H new ATOM 0 HD3 PRO A 26 -6.516 7.112 9.582 1.00 34.14 H new ATOM 438 N LYS A 27 -7.565 8.943 5.555 1.00 21.25 N ATOM 439 CA LYS A 27 -7.614 9.916 4.446 1.00 71.02 C ATOM 440 C LYS A 27 -6.622 9.541 3.318 1.00 62.22 C ATOM 441 O LYS A 27 -6.166 10.415 2.568 1.00 51.34 O ATOM 442 CB LYS A 27 -7.333 11.338 4.999 1.00 72.22 C ATOM 443 CG LYS A 27 -8.459 11.899 5.901 1.00 24.24 C ATOM 444 CD LYS A 27 -8.130 13.293 6.486 1.00 74.32 C ATOM 445 CE LYS A 27 -7.712 14.313 5.410 1.00 3.03 C ATOM 446 NZ LYS A 27 -8.726 14.467 4.322 1.00 32.23 N ATOM 0 H LYS A 27 -6.863 9.176 6.258 1.00 21.25 H new ATOM 0 HA LYS A 27 -8.610 9.898 4.004 1.00 71.02 H new ATOM 0 HB2 LYS A 27 -6.403 11.318 5.567 1.00 72.22 H new ATOM 0 HB3 LYS A 27 -7.180 12.018 4.161 1.00 72.22 H new ATOM 0 HG2 LYS A 27 -9.381 11.962 5.324 1.00 24.24 H new ATOM 0 HG3 LYS A 27 -8.642 11.202 6.719 1.00 24.24 H new ATOM 0 HD2 LYS A 27 -9.002 13.672 7.019 1.00 74.32 H new ATOM 0 HD3 LYS A 27 -7.327 13.194 7.217 1.00 74.32 H new ATOM 0 HE2 LYS A 27 -7.544 15.281 5.882 1.00 3.03 H new ATOM 0 HE3 LYS A 27 -6.763 14.003 4.973 1.00 3.03 H new ATOM 0 HZ1 LYS A 27 -8.404 15.190 3.647 1.00 32.23 H new ATOM 0 HZ2 LYS A 27 -8.845 13.560 3.827 1.00 32.23 H new ATOM 0 HZ3 LYS A 27 -9.635 14.758 4.734 1.00 32.23 H new ATOM 460 N ALA A 28 -6.324 8.236 3.179 1.00 13.01 N ATOM 461 CA ALA A 28 -5.331 7.740 2.209 1.00 14.30 C ATOM 462 C ALA A 28 -6.104 7.080 1.082 1.00 64.40 C ATOM 463 O ALA A 28 -6.806 6.079 1.338 1.00 63.44 O ATOM 464 CB ALA A 28 -4.372 6.728 2.859 1.00 52.22 C ATOM 0 H ALA A 28 -6.762 7.500 3.733 1.00 13.01 H new ATOM 0 HA ALA A 28 -4.721 8.565 1.840 1.00 14.30 H new ATOM 0 HB1 ALA A 28 -3.652 6.381 2.118 1.00 52.22 H new ATOM 0 HB2 ALA A 28 -3.843 7.206 3.683 1.00 52.22 H new ATOM 0 HB3 ALA A 28 -4.941 5.879 3.237 1.00 52.22 H new ATOM 470 N THR A 29 -6.052 7.627 -0.144 1.00 4.14 N ATOM 471 CA THR A 29 -6.717 7.003 -1.282 1.00 22.11 C ATOM 472 C THR A 29 -5.970 5.718 -1.686 1.00 12.31 C ATOM 473 O THR A 29 -4.888 5.771 -2.290 1.00 74.34 O ATOM 474 CB THR A 29 -6.799 7.998 -2.489 1.00 3.04 C ATOM 475 OG1 THR A 29 -7.397 9.227 -2.051 1.00 72.42 O ATOM 476 CG2 THR A 29 -7.615 7.433 -3.670 1.00 52.33 C ATOM 0 H THR A 29 -5.559 8.492 -0.364 1.00 4.14 H new ATOM 0 HA THR A 29 -7.735 6.741 -0.993 1.00 22.11 H new ATOM 0 HB THR A 29 -5.781 8.163 -2.842 1.00 3.04 H new ATOM 0 HG1 THR A 29 -7.448 9.852 -2.804 1.00 72.42 H new ATOM 0 HG21 THR A 29 -7.639 8.164 -4.478 1.00 52.33 H new ATOM 0 HG22 THR A 29 -7.151 6.513 -4.026 1.00 52.33 H new ATOM 0 HG23 THR A 29 -8.633 7.222 -3.341 1.00 52.33 H new ATOM 484 N VAL A 30 -6.554 4.577 -1.296 1.00 30.53 N ATOM 485 CA VAL A 30 -6.090 3.243 -1.706 1.00 25.03 C ATOM 486 C VAL A 30 -7.048 2.746 -2.798 1.00 34.22 C ATOM 487 O VAL A 30 -8.257 3.005 -2.732 1.00 50.02 O ATOM 488 CB VAL A 30 -6.049 2.210 -0.501 1.00 62.41 C ATOM 489 CG1 VAL A 30 -5.292 0.916 -0.900 1.00 63.51 C ATOM 490 CG2 VAL A 30 -5.441 2.842 0.773 1.00 33.31 C ATOM 0 H VAL A 30 -7.368 4.553 -0.682 1.00 30.53 H new ATOM 0 HA VAL A 30 -5.066 3.318 -2.072 1.00 25.03 H new ATOM 0 HB VAL A 30 -7.079 1.939 -0.269 1.00 62.41 H new ATOM 0 HG11 VAL A 30 -5.280 0.227 -0.056 1.00 63.51 H new ATOM 0 HG12 VAL A 30 -5.795 0.446 -1.745 1.00 63.51 H new ATOM 0 HG13 VAL A 30 -4.268 1.165 -1.180 1.00 63.51 H new ATOM 0 HG21 VAL A 30 -5.430 2.104 1.575 1.00 33.31 H new ATOM 0 HG22 VAL A 30 -4.422 3.169 0.566 1.00 33.31 H new ATOM 0 HG23 VAL A 30 -6.042 3.699 1.076 1.00 33.31 H new ATOM 500 N THR A 31 -6.513 2.056 -3.792 1.00 53.15 N ATOM 501 CA THR A 31 -7.292 1.532 -4.912 1.00 43.24 C ATOM 502 C THR A 31 -7.105 0.018 -4.986 1.00 23.35 C ATOM 503 O THR A 31 -5.968 -0.477 -4.866 1.00 72.22 O ATOM 504 CB THR A 31 -6.846 2.213 -6.241 1.00 14.25 C ATOM 505 OG1 THR A 31 -6.849 3.642 -6.072 1.00 71.14 O ATOM 506 CG2 THR A 31 -7.758 1.842 -7.414 1.00 42.45 C ATOM 0 H THR A 31 -5.518 1.840 -3.849 1.00 53.15 H new ATOM 0 HA THR A 31 -8.349 1.752 -4.761 1.00 43.24 H new ATOM 0 HB THR A 31 -5.842 1.857 -6.473 1.00 14.25 H new ATOM 0 HG1 THR A 31 -6.567 4.071 -6.907 1.00 71.14 H new ATOM 0 HG21 THR A 31 -7.408 2.340 -8.318 1.00 42.45 H new ATOM 0 HG22 THR A 31 -7.738 0.762 -7.563 1.00 42.45 H new ATOM 0 HG23 THR A 31 -8.778 2.159 -7.196 1.00 42.45 H new ATOM 514 N ARG A 32 -8.214 -0.714 -5.189 1.00 34.11 N ATOM 515 CA ARG A 32 -8.225 -2.176 -5.256 1.00 24.31 C ATOM 516 C ARG A 32 -8.072 -2.594 -6.722 1.00 22.21 C ATOM 517 O ARG A 32 -8.896 -2.225 -7.565 1.00 43.32 O ATOM 518 CB ARG A 32 -9.568 -2.701 -4.670 1.00 44.12 C ATOM 519 CG ARG A 32 -9.880 -4.198 -4.902 1.00 54.25 C ATOM 520 CD ARG A 32 -8.836 -5.155 -4.319 1.00 51.20 C ATOM 521 NE ARG A 32 -9.221 -6.562 -4.533 1.00 60.30 N ATOM 522 CZ ARG A 32 -8.765 -7.594 -3.819 1.00 3.31 C ATOM 523 NH1 ARG A 32 -7.901 -7.391 -2.843 1.00 33.33 N ATOM 524 NH2 ARG A 32 -9.207 -8.822 -4.065 1.00 11.52 N ATOM 0 H ARG A 32 -9.137 -0.297 -5.312 1.00 34.11 H new ATOM 0 HA ARG A 32 -7.405 -2.598 -4.676 1.00 24.31 H new ATOM 0 HB2 ARG A 32 -9.569 -2.514 -3.596 1.00 44.12 H new ATOM 0 HB3 ARG A 32 -10.380 -2.112 -5.096 1.00 44.12 H new ATOM 0 HG2 ARG A 32 -10.851 -4.427 -4.464 1.00 54.25 H new ATOM 0 HG3 ARG A 32 -9.963 -4.378 -5.974 1.00 54.25 H new ATOM 0 HD2 ARG A 32 -7.868 -4.966 -4.782 1.00 51.20 H new ATOM 0 HD3 ARG A 32 -8.721 -4.965 -3.252 1.00 51.20 H new ATOM 0 HE ARG A 32 -9.884 -6.762 -5.282 1.00 60.30 H new ATOM 0 HH11 ARG A 32 -7.581 -6.445 -2.634 1.00 33.33 H new ATOM 0 HH12 ARG A 32 -7.553 -8.180 -2.298 1.00 33.33 H new ATOM 0 HH21 ARG A 32 -9.896 -8.978 -4.801 1.00 11.52 H new ATOM 0 HH22 ARG A 32 -8.857 -9.609 -3.518 1.00 11.52 H new ATOM 538 N THR A 33 -7.005 -3.341 -7.012 1.00 21.45 N ATOM 539 CA THR A 33 -6.746 -3.905 -8.336 1.00 13.22 C ATOM 540 C THR A 33 -6.190 -5.326 -8.139 1.00 22.41 C ATOM 541 O THR A 33 -5.456 -5.581 -7.175 1.00 62.41 O ATOM 542 CB THR A 33 -5.804 -2.996 -9.196 1.00 74.04 C ATOM 543 OG1 THR A 33 -5.515 -3.619 -10.456 1.00 62.33 O ATOM 544 CG2 THR A 33 -4.501 -2.622 -8.478 1.00 22.35 C ATOM 0 H THR A 33 -6.288 -3.574 -6.325 1.00 21.45 H new ATOM 0 HA THR A 33 -7.673 -3.955 -8.907 1.00 13.22 H new ATOM 0 HB THR A 33 -6.346 -2.066 -9.364 1.00 74.04 H new ATOM 0 HG1 THR A 33 -4.927 -3.037 -10.981 1.00 62.33 H new ATOM 0 HG21 THR A 33 -3.895 -1.992 -9.129 1.00 22.35 H new ATOM 0 HG22 THR A 33 -4.733 -2.080 -7.562 1.00 22.35 H new ATOM 0 HG23 THR A 33 -3.948 -3.528 -8.233 1.00 22.35 H new ATOM 552 N ASN A 34 -6.574 -6.249 -9.016 1.00 62.32 N ATOM 553 CA ASN A 34 -6.162 -7.666 -8.911 1.00 32.41 C ATOM 554 C ASN A 34 -4.708 -7.844 -9.402 1.00 13.32 C ATOM 555 O ASN A 34 -4.437 -7.744 -10.607 1.00 32.24 O ATOM 556 CB ASN A 34 -7.139 -8.558 -9.719 1.00 71.43 C ATOM 557 CG ASN A 34 -7.001 -10.051 -9.416 1.00 43.22 C ATOM 558 OD1 ASN A 34 -6.618 -10.441 -8.315 1.00 53.41 O ATOM 559 ND2 ASN A 34 -7.340 -10.895 -10.378 1.00 34.30 N ATOM 0 H ASN A 34 -7.174 -6.050 -9.816 1.00 62.32 H new ATOM 0 HA ASN A 34 -6.199 -7.973 -7.866 1.00 32.41 H new ATOM 0 HB2 ASN A 34 -8.162 -8.246 -9.507 1.00 71.43 H new ATOM 0 HB3 ASN A 34 -6.970 -8.395 -10.783 1.00 71.43 H new ATOM 0 HD21 ASN A 34 -7.287 -11.901 -10.216 1.00 34.30 H new ATOM 0 HD22 ASN A 34 -7.654 -10.540 -11.281 1.00 34.30 H new ATOM 566 N GLY A 35 -3.779 -8.083 -8.452 1.00 1.23 N ATOM 567 CA GLY A 35 -2.353 -8.274 -8.755 1.00 24.44 C ATOM 568 C GLY A 35 -1.462 -7.164 -8.211 1.00 23.54 C ATOM 569 O GLY A 35 -0.244 -7.357 -8.084 1.00 60.34 O ATOM 0 H GLY A 35 -4.000 -8.148 -7.458 1.00 1.23 H new ATOM 0 HA2 GLY A 35 -2.026 -9.228 -8.340 1.00 24.44 H new ATOM 0 HA3 GLY A 35 -2.224 -8.336 -9.836 1.00 24.44 H new ATOM 573 N ASP A 36 -2.061 -5.997 -7.890 1.00 33.25 N ATOM 574 CA ASP A 36 -1.323 -4.815 -7.385 1.00 44.31 C ATOM 575 C ASP A 36 -2.139 -4.055 -6.317 1.00 60.03 C ATOM 576 O ASP A 36 -3.290 -4.392 -6.030 1.00 11.51 O ATOM 577 CB ASP A 36 -0.941 -3.844 -8.544 1.00 54.41 C ATOM 578 CG ASP A 36 0.187 -4.360 -9.461 1.00 11.21 C ATOM 579 OD1 ASP A 36 1.372 -4.244 -9.083 1.00 55.22 O ATOM 580 OD2 ASP A 36 -0.105 -4.839 -10.587 1.00 30.14 O ATOM 0 H ASP A 36 -3.066 -5.846 -7.973 1.00 33.25 H new ATOM 0 HA ASP A 36 -0.407 -5.187 -6.925 1.00 44.31 H new ATOM 0 HB2 ASP A 36 -1.827 -3.654 -9.150 1.00 54.41 H new ATOM 0 HB3 ASP A 36 -0.637 -2.889 -8.116 1.00 54.41 H new ATOM 585 N ILE A 37 -1.498 -3.036 -5.727 1.00 1.31 N ATOM 586 CA ILE A 37 -2.129 -2.035 -4.849 1.00 53.42 C ATOM 587 C ILE A 37 -1.674 -0.647 -5.310 1.00 15.53 C ATOM 588 O ILE A 37 -0.486 -0.322 -5.250 1.00 11.54 O ATOM 589 CB ILE A 37 -1.771 -2.246 -3.318 1.00 22.33 C ATOM 590 CG1 ILE A 37 -2.495 -3.509 -2.743 1.00 14.13 C ATOM 591 CG2 ILE A 37 -2.111 -0.988 -2.462 1.00 33.14 C ATOM 592 CD1 ILE A 37 -4.019 -3.433 -2.787 1.00 55.31 C ATOM 0 H ILE A 37 -0.498 -2.879 -5.850 1.00 1.31 H new ATOM 0 HA ILE A 37 -3.211 -2.142 -4.927 1.00 53.42 H new ATOM 0 HB ILE A 37 -0.694 -2.404 -3.260 1.00 22.33 H new ATOM 0 HG12 ILE A 37 -2.170 -4.386 -3.303 1.00 14.13 H new ATOM 0 HG13 ILE A 37 -2.180 -3.655 -1.710 1.00 14.13 H new ATOM 0 HG21 ILE A 37 -1.850 -1.175 -1.420 1.00 33.14 H new ATOM 0 HG22 ILE A 37 -1.543 -0.133 -2.830 1.00 33.14 H new ATOM 0 HG23 ILE A 37 -3.177 -0.775 -2.536 1.00 33.14 H new ATOM 0 HD11 ILE A 37 -4.441 -4.347 -2.370 1.00 55.31 H new ATOM 0 HD12 ILE A 37 -4.358 -2.578 -2.202 1.00 55.31 H new ATOM 0 HD13 ILE A 37 -4.348 -3.320 -3.820 1.00 55.31 H new ATOM 604 N LYS A 38 -2.620 0.160 -5.802 1.00 52.12 N ATOM 605 CA LYS A 38 -2.340 1.539 -6.206 1.00 13.33 C ATOM 606 C LYS A 38 -2.722 2.471 -5.050 1.00 30.12 C ATOM 607 O LYS A 38 -3.899 2.646 -4.739 1.00 64.22 O ATOM 608 CB LYS A 38 -3.099 1.881 -7.509 1.00 11.24 C ATOM 609 CG LYS A 38 -2.706 0.988 -8.715 1.00 64.45 C ATOM 610 CD LYS A 38 -3.532 1.301 -9.985 1.00 15.10 C ATOM 611 CE LYS A 38 -5.035 1.015 -9.803 1.00 14.32 C ATOM 612 NZ LYS A 38 -5.842 1.464 -10.972 1.00 53.12 N ATOM 0 H LYS A 38 -3.592 -0.122 -5.930 1.00 52.12 H new ATOM 0 HA LYS A 38 -1.279 1.668 -6.419 1.00 13.33 H new ATOM 0 HB2 LYS A 38 -4.170 1.784 -7.331 1.00 11.24 H new ATOM 0 HB3 LYS A 38 -2.912 2.924 -7.765 1.00 11.24 H new ATOM 0 HG2 LYS A 38 -1.647 1.125 -8.933 1.00 64.45 H new ATOM 0 HG3 LYS A 38 -2.844 -0.059 -8.446 1.00 64.45 H new ATOM 0 HD2 LYS A 38 -3.396 2.349 -10.253 1.00 15.10 H new ATOM 0 HD3 LYS A 38 -3.152 0.707 -10.816 1.00 15.10 H new ATOM 0 HE2 LYS A 38 -5.183 -0.054 -9.651 1.00 14.32 H new ATOM 0 HE3 LYS A 38 -5.392 1.517 -8.904 1.00 14.32 H new ATOM 0 HZ1 LYS A 38 -6.846 1.251 -10.803 1.00 53.12 H new ATOM 0 HZ2 LYS A 38 -5.723 2.489 -11.103 1.00 53.12 H new ATOM 0 HZ3 LYS A 38 -5.521 0.966 -11.827 1.00 53.12 H new ATOM 626 N LEU A 39 -1.700 3.015 -4.394 1.00 72.45 N ATOM 627 CA LEU A 39 -1.839 3.912 -3.239 1.00 22.15 C ATOM 628 C LEU A 39 -1.316 5.308 -3.616 1.00 33.42 C ATOM 629 O LEU A 39 -0.308 5.432 -4.327 1.00 52.53 O ATOM 630 CB LEU A 39 -1.065 3.321 -2.026 1.00 24.02 C ATOM 631 CG LEU A 39 -0.942 4.226 -0.756 1.00 53.53 C ATOM 632 CD1 LEU A 39 -2.324 4.685 -0.222 1.00 12.21 C ATOM 633 CD2 LEU A 39 -0.126 3.499 0.334 1.00 24.51 C ATOM 0 H LEU A 39 -0.728 2.843 -4.653 1.00 72.45 H new ATOM 0 HA LEU A 39 -2.888 4.005 -2.956 1.00 22.15 H new ATOM 0 HB2 LEU A 39 -1.552 2.391 -1.734 1.00 24.02 H new ATOM 0 HB3 LEU A 39 -0.059 3.064 -2.358 1.00 24.02 H new ATOM 0 HG LEU A 39 -0.411 5.133 -1.043 1.00 53.53 H new ATOM 0 HD11 LEU A 39 -2.184 5.310 0.660 1.00 12.21 H new ATOM 0 HD12 LEU A 39 -2.841 5.256 -0.993 1.00 12.21 H new ATOM 0 HD13 LEU A 39 -2.920 3.812 0.043 1.00 12.21 H new ATOM 0 HD21 LEU A 39 -0.046 4.137 1.214 1.00 24.51 H new ATOM 0 HD22 LEU A 39 -0.627 2.569 0.604 1.00 24.51 H new ATOM 0 HD23 LEU A 39 0.871 3.277 -0.046 1.00 24.51 H new ATOM 645 N ASP A 40 -2.010 6.349 -3.142 1.00 75.51 N ATOM 646 CA ASP A 40 -1.651 7.750 -3.390 1.00 34.12 C ATOM 647 C ASP A 40 -1.371 8.437 -2.042 1.00 64.53 C ATOM 648 O ASP A 40 -2.271 8.566 -1.208 1.00 70.22 O ATOM 649 CB ASP A 40 -2.791 8.464 -4.163 1.00 44.03 C ATOM 650 CG ASP A 40 -2.538 9.971 -4.363 1.00 33.23 C ATOM 651 OD1 ASP A 40 -1.628 10.334 -5.136 1.00 22.23 O ATOM 652 OD2 ASP A 40 -3.262 10.800 -3.765 1.00 72.21 O ATOM 0 H ASP A 40 -2.847 6.241 -2.569 1.00 75.51 H new ATOM 0 HA ASP A 40 -0.753 7.804 -4.006 1.00 34.12 H new ATOM 0 HB2 ASP A 40 -2.913 7.990 -5.137 1.00 44.03 H new ATOM 0 HB3 ASP A 40 -3.728 8.328 -3.623 1.00 44.03 H new ATOM 657 N ALA A 41 -0.099 8.782 -1.809 1.00 15.42 N ATOM 658 CA ALA A 41 0.325 9.578 -0.646 1.00 64.33 C ATOM 659 C ALA A 41 0.201 11.077 -0.961 1.00 14.33 C ATOM 660 O ALA A 41 0.536 11.515 -2.074 1.00 54.02 O ATOM 661 CB ALA A 41 1.758 9.220 -0.236 1.00 60.13 C ATOM 0 H ALA A 41 0.670 8.517 -2.424 1.00 15.42 H new ATOM 0 HA ALA A 41 -0.329 9.346 0.195 1.00 64.33 H new ATOM 0 HB1 ALA A 41 2.051 9.820 0.625 1.00 60.13 H new ATOM 0 HB2 ALA A 41 1.809 8.163 0.024 1.00 60.13 H new ATOM 0 HB3 ALA A 41 2.435 9.422 -1.066 1.00 60.13 H new ATOM 667 N GLN A 42 -0.291 11.841 0.032 1.00 34.40 N ATOM 668 CA GLN A 42 -0.483 13.307 -0.065 1.00 70.20 C ATOM 669 C GLN A 42 0.860 14.049 -0.161 1.00 34.51 C ATOM 670 O GLN A 42 0.968 15.092 -0.827 1.00 41.40 O ATOM 671 CB GLN A 42 -1.304 13.815 1.156 1.00 21.24 C ATOM 672 CG GLN A 42 -2.741 13.265 1.234 1.00 35.33 C ATOM 673 CD GLN A 42 -3.625 13.737 0.079 1.00 3.12 C ATOM 674 OE1 GLN A 42 -3.705 13.090 -0.967 1.00 62.54 O ATOM 675 NE2 GLN A 42 -4.283 14.877 0.255 1.00 52.34 N ATOM 0 H GLN A 42 -0.570 11.458 0.935 1.00 34.40 H new ATOM 0 HA GLN A 42 -1.036 13.517 -0.981 1.00 70.20 H new ATOM 0 HB2 GLN A 42 -0.775 13.546 2.070 1.00 21.24 H new ATOM 0 HB3 GLN A 42 -1.347 14.904 1.121 1.00 21.24 H new ATOM 0 HG2 GLN A 42 -2.707 12.176 1.237 1.00 35.33 H new ATOM 0 HG3 GLN A 42 -3.191 13.573 2.178 1.00 35.33 H new ATOM 0 HE21 GLN A 42 -4.194 15.387 1.134 1.00 52.34 H new ATOM 0 HE22 GLN A 42 -4.878 15.243 -0.489 1.00 52.34 H new ATOM 684 N THR A 43 1.880 13.493 0.507 1.00 12.14 N ATOM 685 CA THR A 43 3.245 14.025 0.466 1.00 10.21 C ATOM 686 C THR A 43 4.257 12.869 0.472 1.00 33.34 C ATOM 687 O THR A 43 3.913 11.728 0.836 1.00 14.51 O ATOM 688 CB THR A 43 3.533 15.016 1.653 1.00 1.42 C ATOM 689 OG1 THR A 43 4.703 15.799 1.346 1.00 60.11 O ATOM 690 CG2 THR A 43 3.722 14.301 3.012 1.00 22.24 C ATOM 0 H THR A 43 1.780 12.662 1.090 1.00 12.14 H new ATOM 0 HA THR A 43 3.350 14.595 -0.457 1.00 10.21 H new ATOM 0 HB THR A 43 2.657 15.656 1.757 1.00 1.42 H new ATOM 0 HG1 THR A 43 5.508 15.279 1.551 1.00 60.11 H new ATOM 0 HG21 THR A 43 3.917 15.041 3.788 1.00 22.24 H new ATOM 0 HG22 THR A 43 2.818 13.745 3.260 1.00 22.24 H new ATOM 0 HG23 THR A 43 4.564 13.612 2.947 1.00 22.24 H new ATOM 698 N GLU A 44 5.503 13.183 0.077 1.00 71.41 N ATOM 699 CA GLU A 44 6.598 12.196 -0.023 1.00 51.04 C ATOM 700 C GLU A 44 6.911 11.557 1.351 1.00 24.45 C ATOM 701 O GLU A 44 7.099 10.348 1.441 1.00 42.24 O ATOM 702 CB GLU A 44 7.883 12.810 -0.704 1.00 32.11 C ATOM 703 CG GLU A 44 8.044 14.349 -0.631 1.00 60.41 C ATOM 704 CD GLU A 44 8.370 14.907 0.768 1.00 3.14 C ATOM 705 OE1 GLU A 44 7.436 15.149 1.558 1.00 55.44 O ATOM 706 OE2 GLU A 44 9.561 15.131 1.081 1.00 62.33 O ATOM 0 H GLU A 44 5.782 14.129 -0.183 1.00 71.41 H new ATOM 0 HA GLU A 44 6.255 11.394 -0.676 1.00 51.04 H new ATOM 0 HB2 GLU A 44 8.761 12.354 -0.246 1.00 32.11 H new ATOM 0 HB3 GLU A 44 7.884 12.518 -1.754 1.00 32.11 H new ATOM 0 HG2 GLU A 44 8.835 14.649 -1.318 1.00 60.41 H new ATOM 0 HG3 GLU A 44 7.123 14.812 -0.984 1.00 60.41 H new ATOM 713 N LYS A 45 6.893 12.372 2.419 1.00 60.12 N ATOM 714 CA LYS A 45 7.201 11.910 3.790 1.00 41.45 C ATOM 715 C LYS A 45 6.135 10.955 4.348 1.00 24.41 C ATOM 716 O LYS A 45 6.446 10.141 5.224 1.00 41.33 O ATOM 717 CB LYS A 45 7.400 13.115 4.738 1.00 14.25 C ATOM 718 CG LYS A 45 8.691 13.898 4.450 1.00 71.44 C ATOM 719 CD LYS A 45 8.848 15.144 5.337 1.00 64.24 C ATOM 720 CE LYS A 45 10.150 15.890 5.032 1.00 42.22 C ATOM 721 NZ LYS A 45 10.240 16.284 3.603 1.00 11.10 N ATOM 0 H LYS A 45 6.666 13.365 2.361 1.00 60.12 H new ATOM 0 HA LYS A 45 8.131 11.345 3.730 1.00 41.45 H new ATOM 0 HB2 LYS A 45 6.546 13.787 4.647 1.00 14.25 H new ATOM 0 HB3 LYS A 45 7.419 12.760 5.769 1.00 14.25 H new ATOM 0 HG2 LYS A 45 9.548 13.242 4.600 1.00 71.44 H new ATOM 0 HG3 LYS A 45 8.700 14.201 3.403 1.00 71.44 H new ATOM 0 HD2 LYS A 45 8.000 15.811 5.182 1.00 64.24 H new ATOM 0 HD3 LYS A 45 8.834 14.849 6.386 1.00 64.24 H new ATOM 0 HE2 LYS A 45 10.214 16.780 5.659 1.00 42.22 H new ATOM 0 HE3 LYS A 45 11.000 15.257 5.288 1.00 42.22 H new ATOM 0 HZ1 LYS A 45 11.035 16.941 3.474 1.00 11.10 H new ATOM 0 HZ2 LYS A 45 10.392 15.437 3.018 1.00 11.10 H new ATOM 0 HZ3 LYS A 45 9.356 16.750 3.315 1.00 11.10 H new ATOM 735 N GLU A 46 4.900 11.033 3.828 1.00 73.11 N ATOM 736 CA GLU A 46 3.796 10.161 4.267 1.00 72.25 C ATOM 737 C GLU A 46 3.980 8.763 3.646 1.00 14.11 C ATOM 738 O GLU A 46 3.744 7.725 4.298 1.00 22.43 O ATOM 739 CB GLU A 46 2.440 10.794 3.866 1.00 62.33 C ATOM 740 CG GLU A 46 1.198 10.038 4.366 1.00 75.25 C ATOM 741 CD GLU A 46 -0.118 10.761 4.040 1.00 62.21 C ATOM 742 OE1 GLU A 46 -0.536 10.753 2.865 1.00 41.24 O ATOM 743 OE2 GLU A 46 -0.730 11.368 4.955 1.00 12.24 O ATOM 0 H GLU A 46 4.639 11.696 3.098 1.00 73.11 H new ATOM 0 HA GLU A 46 3.804 10.056 5.352 1.00 72.25 H new ATOM 0 HB2 GLU A 46 2.405 11.814 4.249 1.00 62.33 H new ATOM 0 HB3 GLU A 46 2.394 10.860 2.779 1.00 62.33 H new ATOM 0 HG2 GLU A 46 1.180 9.044 3.919 1.00 75.25 H new ATOM 0 HG3 GLU A 46 1.273 9.901 5.445 1.00 75.25 H new ATOM 750 N ALA A 47 4.490 8.773 2.394 1.00 32.31 N ATOM 751 CA ALA A 47 4.771 7.566 1.601 1.00 5.50 C ATOM 752 C ALA A 47 5.823 6.672 2.268 1.00 2.44 C ATOM 753 O ALA A 47 5.788 5.454 2.098 1.00 65.42 O ATOM 754 CB ALA A 47 5.236 7.959 0.191 1.00 74.52 C ATOM 0 H ALA A 47 4.720 9.637 1.903 1.00 32.31 H new ATOM 0 HA ALA A 47 3.845 6.994 1.536 1.00 5.50 H new ATOM 0 HB1 ALA A 47 5.442 7.059 -0.388 1.00 74.52 H new ATOM 0 HB2 ALA A 47 4.454 8.537 -0.302 1.00 74.52 H new ATOM 0 HB3 ALA A 47 6.142 8.560 0.261 1.00 74.52 H new ATOM 760 N GLU A 48 6.737 7.294 3.039 1.00 62.45 N ATOM 761 CA GLU A 48 7.863 6.594 3.689 1.00 54.42 C ATOM 762 C GLU A 48 7.374 5.548 4.715 1.00 32.15 C ATOM 763 O GLU A 48 7.973 4.478 4.851 1.00 41.22 O ATOM 764 CB GLU A 48 8.816 7.608 4.385 1.00 61.21 C ATOM 765 CG GLU A 48 9.295 8.781 3.500 1.00 53.20 C ATOM 766 CD GLU A 48 9.944 8.352 2.166 1.00 65.03 C ATOM 767 OE1 GLU A 48 11.044 7.755 2.191 1.00 11.24 O ATOM 768 OE2 GLU A 48 9.375 8.625 1.081 1.00 15.13 O ATOM 0 H GLU A 48 6.715 8.296 3.229 1.00 62.45 H new ATOM 0 HA GLU A 48 8.408 6.070 2.904 1.00 54.42 H new ATOM 0 HB2 GLU A 48 8.308 8.018 5.258 1.00 61.21 H new ATOM 0 HB3 GLU A 48 9.691 7.068 4.749 1.00 61.21 H new ATOM 0 HG2 GLU A 48 8.445 9.428 3.284 1.00 53.20 H new ATOM 0 HG3 GLU A 48 10.013 9.376 4.064 1.00 53.20 H new ATOM 775 N LYS A 49 6.300 5.877 5.454 1.00 53.53 N ATOM 776 CA LYS A 49 5.705 4.942 6.435 1.00 33.22 C ATOM 777 C LYS A 49 4.652 4.051 5.751 1.00 71.24 C ATOM 778 O LYS A 49 4.381 2.948 6.217 1.00 42.12 O ATOM 779 CB LYS A 49 5.057 5.668 7.647 1.00 12.34 C ATOM 780 CG LYS A 49 5.920 6.752 8.339 1.00 42.12 C ATOM 781 CD LYS A 49 5.839 8.125 7.636 1.00 31.34 C ATOM 782 CE LYS A 49 4.427 8.740 7.665 1.00 73.14 C ATOM 783 NZ LYS A 49 3.989 9.115 9.036 1.00 25.12 N ATOM 0 H LYS A 49 5.826 6.778 5.394 1.00 53.53 H new ATOM 0 HA LYS A 49 6.524 4.333 6.818 1.00 33.22 H new ATOM 0 HB2 LYS A 49 4.129 6.132 7.312 1.00 12.34 H new ATOM 0 HB3 LYS A 49 4.788 4.918 8.391 1.00 12.34 H new ATOM 0 HG2 LYS A 49 5.597 6.860 9.374 1.00 42.12 H new ATOM 0 HG3 LYS A 49 6.959 6.422 8.362 1.00 42.12 H new ATOM 0 HD2 LYS A 49 6.537 8.812 8.114 1.00 31.34 H new ATOM 0 HD3 LYS A 49 6.159 8.015 6.600 1.00 31.34 H new ATOM 0 HE2 LYS A 49 4.408 9.624 7.028 1.00 73.14 H new ATOM 0 HE3 LYS A 49 3.717 8.028 7.244 1.00 73.14 H new ATOM 0 HZ1 LYS A 49 3.033 9.523 8.996 1.00 25.12 H new ATOM 0 HZ2 LYS A 49 3.979 8.269 9.641 1.00 25.12 H new ATOM 0 HZ3 LYS A 49 4.648 9.815 9.432 1.00 25.12 H new ATOM 797 N MET A 50 4.010 4.602 4.704 1.00 61.40 N ATOM 798 CA MET A 50 3.021 3.859 3.877 1.00 64.14 C ATOM 799 C MET A 50 3.632 2.551 3.314 1.00 24.24 C ATOM 800 O MET A 50 3.141 1.459 3.611 1.00 53.54 O ATOM 801 CB MET A 50 2.440 4.739 2.740 1.00 2.32 C ATOM 802 CG MET A 50 1.373 5.743 3.180 1.00 14.43 C ATOM 803 SD MET A 50 0.675 6.629 1.772 1.00 3.35 S ATOM 804 CE MET A 50 -0.794 7.357 2.488 1.00 63.40 C ATOM 0 H MET A 50 4.155 5.566 4.403 1.00 61.40 H new ATOM 0 HA MET A 50 2.192 3.589 4.532 1.00 64.14 H new ATOM 0 HB2 MET A 50 3.258 5.284 2.269 1.00 2.32 H new ATOM 0 HB3 MET A 50 2.012 4.087 1.979 1.00 2.32 H new ATOM 0 HG2 MET A 50 0.578 5.220 3.712 1.00 14.43 H new ATOM 0 HG3 MET A 50 1.810 6.456 3.879 1.00 14.43 H new ATOM 0 HE1 MET A 50 -1.235 8.058 1.780 1.00 63.40 H new ATOM 0 HE2 MET A 50 -1.514 6.572 2.717 1.00 63.40 H new ATOM 0 HE3 MET A 50 -0.529 7.885 3.404 1.00 63.40 H new ATOM 814 N GLU A 51 4.721 2.682 2.538 1.00 62.32 N ATOM 815 CA GLU A 51 5.497 1.534 1.982 1.00 14.25 C ATOM 816 C GLU A 51 5.977 0.547 3.092 1.00 52.30 C ATOM 817 O GLU A 51 6.081 -0.665 2.862 1.00 51.14 O ATOM 818 CB GLU A 51 6.724 2.084 1.201 1.00 5.01 C ATOM 819 CG GLU A 51 7.698 2.874 2.083 1.00 32.44 C ATOM 820 CD GLU A 51 8.894 3.476 1.342 1.00 62.41 C ATOM 821 OE1 GLU A 51 8.762 4.576 0.771 1.00 30.03 O ATOM 822 OE2 GLU A 51 9.984 2.866 1.356 1.00 21.44 O ATOM 0 H GLU A 51 5.100 3.590 2.270 1.00 62.32 H new ATOM 0 HA GLU A 51 4.838 0.974 1.318 1.00 14.25 H new ATOM 0 HB2 GLU A 51 7.255 1.252 0.740 1.00 5.01 H new ATOM 0 HB3 GLU A 51 6.374 2.726 0.393 1.00 5.01 H new ATOM 0 HG2 GLU A 51 7.150 3.679 2.574 1.00 32.44 H new ATOM 0 HG3 GLU A 51 8.069 2.216 2.869 1.00 32.44 H new ATOM 829 N LYS A 52 6.238 1.104 4.292 1.00 64.41 N ATOM 830 CA LYS A 52 6.737 0.356 5.464 1.00 64.41 C ATOM 831 C LYS A 52 5.572 -0.473 6.061 1.00 14.25 C ATOM 832 O LYS A 52 5.765 -1.606 6.521 1.00 33.24 O ATOM 833 CB LYS A 52 7.339 1.353 6.525 1.00 13.24 C ATOM 834 CG LYS A 52 8.700 0.942 7.146 1.00 24.24 C ATOM 835 CD LYS A 52 8.666 -0.375 7.958 1.00 1.53 C ATOM 836 CE LYS A 52 7.754 -0.298 9.196 1.00 44.12 C ATOM 837 NZ LYS A 52 7.823 -1.536 10.024 1.00 62.03 N ATOM 0 H LYS A 52 6.106 2.098 4.477 1.00 64.41 H new ATOM 0 HA LYS A 52 7.534 -0.325 5.165 1.00 64.41 H new ATOM 0 HB2 LYS A 52 7.457 2.328 6.052 1.00 13.24 H new ATOM 0 HB3 LYS A 52 6.616 1.475 7.331 1.00 13.24 H new ATOM 0 HG2 LYS A 52 9.434 0.842 6.346 1.00 24.24 H new ATOM 0 HG3 LYS A 52 9.045 1.746 7.796 1.00 24.24 H new ATOM 0 HD2 LYS A 52 8.325 -1.184 7.312 1.00 1.53 H new ATOM 0 HD3 LYS A 52 9.678 -0.626 8.275 1.00 1.53 H new ATOM 0 HE2 LYS A 52 8.041 0.560 9.804 1.00 44.12 H new ATOM 0 HE3 LYS A 52 6.725 -0.133 8.877 1.00 44.12 H new ATOM 0 HZ1 LYS A 52 7.193 -1.439 10.846 1.00 62.03 H new ATOM 0 HZ2 LYS A 52 7.524 -2.352 9.453 1.00 62.03 H new ATOM 0 HZ3 LYS A 52 8.800 -1.681 10.351 1.00 62.03 H new ATOM 851 N ALA A 53 4.369 0.136 6.036 1.00 21.22 N ATOM 852 CA ALA A 53 3.120 -0.477 6.507 1.00 11.10 C ATOM 853 C ALA A 53 2.735 -1.675 5.625 1.00 14.25 C ATOM 854 O ALA A 53 2.336 -2.723 6.138 1.00 23.00 O ATOM 855 CB ALA A 53 1.988 0.567 6.559 1.00 60.33 C ATOM 0 H ALA A 53 4.241 1.084 5.681 1.00 21.22 H new ATOM 0 HA ALA A 53 3.279 -0.848 7.520 1.00 11.10 H new ATOM 0 HB1 ALA A 53 1.072 0.093 6.910 1.00 60.33 H new ATOM 0 HB2 ALA A 53 2.265 1.371 7.241 1.00 60.33 H new ATOM 0 HB3 ALA A 53 1.825 0.977 5.562 1.00 60.33 H new ATOM 861 N VAL A 54 2.884 -1.504 4.301 1.00 54.14 N ATOM 862 CA VAL A 54 2.711 -2.585 3.312 1.00 5.11 C ATOM 863 C VAL A 54 3.563 -3.824 3.690 1.00 22.11 C ATOM 864 O VAL A 54 3.048 -4.943 3.822 1.00 14.41 O ATOM 865 CB VAL A 54 3.127 -2.081 1.879 1.00 40.32 C ATOM 866 CG1 VAL A 54 3.023 -3.204 0.830 1.00 65.23 C ATOM 867 CG2 VAL A 54 2.312 -0.834 1.453 1.00 73.33 C ATOM 0 H VAL A 54 3.129 -0.607 3.883 1.00 54.14 H new ATOM 0 HA VAL A 54 1.659 -2.871 3.307 1.00 5.11 H new ATOM 0 HB VAL A 54 4.174 -1.783 1.935 1.00 40.32 H new ATOM 0 HG11 VAL A 54 3.318 -2.819 -0.146 1.00 65.23 H new ATOM 0 HG12 VAL A 54 3.682 -4.026 1.110 1.00 65.23 H new ATOM 0 HG13 VAL A 54 1.995 -3.564 0.783 1.00 65.23 H new ATOM 0 HG21 VAL A 54 2.627 -0.515 0.459 1.00 73.33 H new ATOM 0 HG22 VAL A 54 1.251 -1.082 1.435 1.00 73.33 H new ATOM 0 HG23 VAL A 54 2.484 -0.026 2.164 1.00 73.33 H new ATOM 877 N LYS A 55 4.874 -3.578 3.889 1.00 73.33 N ATOM 878 CA LYS A 55 5.859 -4.632 4.192 1.00 25.33 C ATOM 879 C LYS A 55 5.646 -5.357 5.542 1.00 0.23 C ATOM 880 O LYS A 55 6.300 -6.378 5.787 1.00 50.03 O ATOM 881 CB LYS A 55 7.301 -4.082 4.079 1.00 14.42 C ATOM 882 CG LYS A 55 7.671 -3.590 2.664 1.00 21.14 C ATOM 883 CD LYS A 55 9.139 -3.144 2.578 1.00 41.23 C ATOM 884 CE LYS A 55 9.505 -2.538 1.223 1.00 31.53 C ATOM 885 NZ LYS A 55 10.944 -2.160 1.157 1.00 72.25 N ATOM 0 H LYS A 55 5.278 -2.642 3.844 1.00 73.33 H new ATOM 0 HA LYS A 55 5.698 -5.399 3.435 1.00 25.33 H new ATOM 0 HB2 LYS A 55 7.422 -3.259 4.783 1.00 14.42 H new ATOM 0 HB3 LYS A 55 8.002 -4.862 4.377 1.00 14.42 H new ATOM 0 HG2 LYS A 55 7.491 -4.388 1.944 1.00 21.14 H new ATOM 0 HG3 LYS A 55 7.022 -2.759 2.387 1.00 21.14 H new ATOM 0 HD2 LYS A 55 9.336 -2.412 3.361 1.00 41.23 H new ATOM 0 HD3 LYS A 55 9.784 -4.001 2.772 1.00 41.23 H new ATOM 0 HE2 LYS A 55 9.281 -3.254 0.432 1.00 31.53 H new ATOM 0 HE3 LYS A 55 8.889 -1.657 1.040 1.00 31.53 H new ATOM 0 HZ1 LYS A 55 11.154 -1.753 0.223 1.00 72.25 H new ATOM 0 HZ2 LYS A 55 11.153 -1.458 1.895 1.00 72.25 H new ATOM 0 HZ3 LYS A 55 11.532 -3.005 1.306 1.00 72.25 H new ATOM 899 N LYS A 56 4.744 -4.843 6.411 1.00 24.32 N ATOM 900 CA LYS A 56 4.327 -5.561 7.649 1.00 70.33 C ATOM 901 C LYS A 56 3.643 -6.895 7.277 1.00 63.42 C ATOM 902 O LYS A 56 3.919 -7.944 7.869 1.00 20.20 O ATOM 903 CB LYS A 56 3.360 -4.693 8.501 1.00 23.22 C ATOM 904 CG LYS A 56 3.951 -3.364 9.021 1.00 60.32 C ATOM 905 CD LYS A 56 2.892 -2.532 9.780 1.00 23.21 C ATOM 906 CE LYS A 56 3.385 -1.139 10.190 1.00 54.03 C ATOM 907 NZ LYS A 56 2.270 -0.268 10.669 1.00 15.10 N ATOM 0 H LYS A 56 4.290 -3.938 6.283 1.00 24.32 H new ATOM 0 HA LYS A 56 5.219 -5.762 8.243 1.00 70.33 H new ATOM 0 HB2 LYS A 56 2.476 -4.469 7.903 1.00 23.22 H new ATOM 0 HB3 LYS A 56 3.026 -5.282 9.355 1.00 23.22 H new ATOM 0 HG2 LYS A 56 4.793 -3.573 9.681 1.00 60.32 H new ATOM 0 HG3 LYS A 56 4.339 -2.784 8.183 1.00 60.32 H new ATOM 0 HD2 LYS A 56 2.008 -2.425 9.152 1.00 23.21 H new ATOM 0 HD3 LYS A 56 2.585 -3.077 10.673 1.00 23.21 H new ATOM 0 HE2 LYS A 56 4.132 -1.236 10.977 1.00 54.03 H new ATOM 0 HE3 LYS A 56 3.877 -0.664 9.341 1.00 54.03 H new ATOM 0 HZ1 LYS A 56 2.506 0.729 10.488 1.00 15.10 H new ATOM 0 HZ2 LYS A 56 1.395 -0.514 10.163 1.00 15.10 H new ATOM 0 HZ3 LYS A 56 2.132 -0.411 11.690 1.00 15.10 H new ATOM 921 N VAL A 57 2.762 -6.811 6.273 1.00 23.23 N ATOM 922 CA VAL A 57 2.028 -7.960 5.706 1.00 22.14 C ATOM 923 C VAL A 57 2.944 -8.825 4.813 1.00 35.53 C ATOM 924 O VAL A 57 2.843 -10.061 4.805 1.00 55.02 O ATOM 925 CB VAL A 57 0.803 -7.442 4.860 1.00 33.21 C ATOM 926 CG1 VAL A 57 0.076 -8.583 4.102 1.00 41.21 C ATOM 927 CG2 VAL A 57 -0.179 -6.631 5.743 1.00 0.32 C ATOM 0 H VAL A 57 2.531 -5.927 5.820 1.00 23.23 H new ATOM 0 HA VAL A 57 1.674 -8.577 6.532 1.00 22.14 H new ATOM 0 HB VAL A 57 1.204 -6.774 4.098 1.00 33.21 H new ATOM 0 HG11 VAL A 57 -0.759 -8.170 3.536 1.00 41.21 H new ATOM 0 HG12 VAL A 57 0.773 -9.068 3.418 1.00 41.21 H new ATOM 0 HG13 VAL A 57 -0.298 -9.315 4.818 1.00 41.21 H new ATOM 0 HG21 VAL A 57 -1.015 -6.285 5.135 1.00 0.32 H new ATOM 0 HG22 VAL A 57 -0.553 -7.264 6.547 1.00 0.32 H new ATOM 0 HG23 VAL A 57 0.339 -5.772 6.169 1.00 0.32 H new ATOM 937 N LYS A 58 3.867 -8.162 4.098 1.00 44.32 N ATOM 938 CA LYS A 58 4.638 -8.792 3.012 1.00 65.21 C ATOM 939 C LYS A 58 6.021 -8.102 2.854 1.00 2.33 C ATOM 940 O LYS A 58 6.126 -7.062 2.206 1.00 73.42 O ATOM 941 CB LYS A 58 3.799 -8.766 1.690 1.00 44.01 C ATOM 942 CG LYS A 58 3.236 -7.379 1.299 1.00 53.22 C ATOM 943 CD LYS A 58 2.402 -7.371 -0.007 1.00 62.32 C ATOM 944 CE LYS A 58 3.201 -7.756 -1.266 1.00 41.51 C ATOM 945 NZ LYS A 58 3.368 -9.224 -1.440 1.00 64.45 N ATOM 0 H LYS A 58 4.099 -7.181 4.254 1.00 44.32 H new ATOM 0 HA LYS A 58 4.836 -9.835 3.257 1.00 65.21 H new ATOM 0 HB2 LYS A 58 4.423 -9.131 0.874 1.00 44.01 H new ATOM 0 HB3 LYS A 58 2.967 -9.463 1.792 1.00 44.01 H new ATOM 0 HG2 LYS A 58 2.614 -7.010 2.115 1.00 53.22 H new ATOM 0 HG3 LYS A 58 4.066 -6.681 1.190 1.00 53.22 H new ATOM 0 HD2 LYS A 58 1.566 -8.061 0.105 1.00 62.32 H new ATOM 0 HD3 LYS A 58 1.978 -6.377 -0.149 1.00 62.32 H new ATOM 0 HE2 LYS A 58 2.698 -7.349 -2.144 1.00 41.51 H new ATOM 0 HE3 LYS A 58 4.185 -7.290 -1.218 1.00 41.51 H new ATOM 0 HZ1 LYS A 58 4.376 -9.446 -1.563 1.00 64.45 H new ATOM 0 HZ2 LYS A 58 3.005 -9.717 -0.599 1.00 64.45 H new ATOM 0 HZ3 LYS A 58 2.839 -9.536 -2.279 1.00 64.45 H new ATOM 959 N PRO A 59 7.127 -8.678 3.435 1.00 74.31 N ATOM 960 CA PRO A 59 8.487 -8.062 3.368 1.00 4.43 C ATOM 961 C PRO A 59 9.096 -8.083 1.946 1.00 64.03 C ATOM 962 O PRO A 59 10.053 -7.354 1.660 1.00 44.25 O ATOM 963 CB PRO A 59 9.315 -8.924 4.353 1.00 55.15 C ATOM 964 CG PRO A 59 8.626 -10.251 4.374 1.00 60.11 C ATOM 965 CD PRO A 59 7.149 -9.945 4.227 1.00 73.43 C ATOM 0 HA PRO A 59 8.467 -7.003 3.625 1.00 4.43 H new ATOM 0 HB2 PRO A 59 10.349 -9.021 4.021 1.00 55.15 H new ATOM 0 HB3 PRO A 59 9.340 -8.476 5.346 1.00 55.15 H new ATOM 0 HG2 PRO A 59 8.977 -10.888 3.562 1.00 60.11 H new ATOM 0 HG3 PRO A 59 8.826 -10.782 5.305 1.00 60.11 H new ATOM 0 HD2 PRO A 59 6.623 -10.749 3.712 1.00 73.43 H new ATOM 0 HD3 PRO A 59 6.668 -9.819 5.197 1.00 73.43 H new ATOM 973 N ASN A 60 8.521 -8.911 1.058 1.00 65.04 N ATOM 974 CA ASN A 60 8.999 -9.076 -0.331 1.00 40.24 C ATOM 975 C ASN A 60 8.257 -8.113 -1.293 1.00 55.00 C ATOM 976 O ASN A 60 8.387 -8.238 -2.521 1.00 3.12 O ATOM 977 CB ASN A 60 8.788 -10.548 -0.782 1.00 30.32 C ATOM 978 CG ASN A 60 9.402 -11.572 0.179 1.00 0.15 C ATOM 979 OD1 ASN A 60 8.754 -12.012 1.131 1.00 61.05 O ATOM 980 ND2 ASN A 60 10.649 -11.951 -0.056 1.00 13.33 N ATOM 0 H ASN A 60 7.710 -9.487 1.281 1.00 65.04 H new ATOM 0 HA ASN A 60 10.061 -8.833 -0.364 1.00 40.24 H new ATOM 0 HB2 ASN A 60 7.719 -10.742 -0.874 1.00 30.32 H new ATOM 0 HB3 ASN A 60 9.223 -10.683 -1.772 1.00 30.32 H new ATOM 0 HD21 ASN A 60 11.101 -12.627 0.560 1.00 13.33 H new ATOM 0 HD22 ASN A 60 11.157 -11.567 -0.853 1.00 13.33 H new ATOM 987 N ALA A 61 7.497 -7.149 -0.720 1.00 63.41 N ATOM 988 CA ALA A 61 6.654 -6.199 -1.474 1.00 43.34 C ATOM 989 C ALA A 61 7.457 -5.407 -2.526 1.00 72.43 C ATOM 990 O ALA A 61 8.346 -4.624 -2.172 1.00 60.21 O ATOM 991 CB ALA A 61 5.957 -5.229 -0.499 1.00 2.24 C ATOM 0 H ALA A 61 7.454 -7.010 0.290 1.00 63.41 H new ATOM 0 HA ALA A 61 5.907 -6.782 -2.012 1.00 43.34 H new ATOM 0 HB1 ALA A 61 5.337 -4.531 -1.061 1.00 2.24 H new ATOM 0 HB2 ALA A 61 5.332 -5.794 0.192 1.00 2.24 H new ATOM 0 HB3 ALA A 61 6.709 -4.675 0.063 1.00 2.24 H new ATOM 997 N THR A 62 7.128 -5.621 -3.814 1.00 5.45 N ATOM 998 CA THR A 62 7.777 -4.921 -4.929 1.00 65.41 C ATOM 999 C THR A 62 7.036 -3.592 -5.164 1.00 35.23 C ATOM 1000 O THR A 62 5.984 -3.556 -5.811 1.00 52.43 O ATOM 1001 CB THR A 62 7.744 -5.825 -6.208 1.00 3.40 C ATOM 1002 OG1 THR A 62 8.253 -7.138 -5.885 1.00 54.44 O ATOM 1003 CG2 THR A 62 8.559 -5.236 -7.379 1.00 30.24 C ATOM 0 H THR A 62 6.408 -6.282 -4.106 1.00 5.45 H new ATOM 0 HA THR A 62 8.821 -4.710 -4.698 1.00 65.41 H new ATOM 0 HB THR A 62 6.705 -5.882 -6.532 1.00 3.40 H new ATOM 0 HG1 THR A 62 8.230 -7.704 -6.685 1.00 54.44 H new ATOM 0 HG21 THR A 62 8.499 -5.906 -8.237 1.00 30.24 H new ATOM 0 HG22 THR A 62 8.154 -4.261 -7.650 1.00 30.24 H new ATOM 0 HG23 THR A 62 9.601 -5.125 -7.078 1.00 30.24 H new ATOM 1011 N ILE A 63 7.601 -2.506 -4.618 1.00 4.42 N ATOM 1012 CA ILE A 63 6.961 -1.179 -4.591 1.00 60.44 C ATOM 1013 C ILE A 63 7.536 -0.302 -5.709 1.00 32.44 C ATOM 1014 O ILE A 63 8.757 -0.207 -5.875 1.00 12.33 O ATOM 1015 CB ILE A 63 7.174 -0.492 -3.183 1.00 43.24 C ATOM 1016 CG1 ILE A 63 6.592 -1.411 -2.057 1.00 12.45 C ATOM 1017 CG2 ILE A 63 6.545 0.937 -3.132 1.00 32.23 C ATOM 1018 CD1 ILE A 63 6.899 -0.978 -0.648 1.00 63.42 C ATOM 0 H ILE A 63 8.522 -2.522 -4.179 1.00 4.42 H new ATOM 0 HA ILE A 63 5.890 -1.299 -4.753 1.00 60.44 H new ATOM 0 HB ILE A 63 8.244 -0.366 -3.020 1.00 43.24 H new ATOM 0 HG12 ILE A 63 5.510 -1.462 -2.176 1.00 12.45 H new ATOM 0 HG13 ILE A 63 6.976 -2.421 -2.201 1.00 12.45 H new ATOM 0 HG21 ILE A 63 6.714 1.374 -2.148 1.00 32.23 H new ATOM 0 HG22 ILE A 63 7.008 1.566 -3.892 1.00 32.23 H new ATOM 0 HG23 ILE A 63 5.474 0.870 -3.320 1.00 32.23 H new ATOM 0 HD11 ILE A 63 6.451 -1.681 0.054 1.00 63.42 H new ATOM 0 HD12 ILE A 63 7.979 -0.957 -0.501 1.00 63.42 H new ATOM 0 HD13 ILE A 63 6.490 0.017 -0.476 1.00 63.42 H new ATOM 1030 N ARG A 64 6.643 0.314 -6.489 1.00 64.23 N ATOM 1031 CA ARG A 64 6.995 1.291 -7.521 1.00 4.43 C ATOM 1032 C ARG A 64 6.739 2.674 -6.934 1.00 13.22 C ATOM 1033 O ARG A 64 5.589 3.108 -6.825 1.00 41.33 O ATOM 1034 CB ARG A 64 6.162 1.053 -8.814 1.00 13.31 C ATOM 1035 CG ARG A 64 6.311 -0.354 -9.430 1.00 44.22 C ATOM 1036 CD ARG A 64 7.772 -0.729 -9.730 1.00 50.12 C ATOM 1037 NE ARG A 64 8.426 0.245 -10.626 1.00 13.21 N ATOM 1038 CZ ARG A 64 9.748 0.501 -10.660 1.00 51.55 C ATOM 1039 NH1 ARG A 64 10.588 -0.145 -9.854 1.00 1.11 N ATOM 1040 NH2 ARG A 64 10.228 1.411 -11.501 1.00 0.14 N ATOM 0 H ARG A 64 5.640 0.145 -6.419 1.00 64.23 H new ATOM 0 HA ARG A 64 8.042 1.194 -7.809 1.00 4.43 H new ATOM 0 HB2 ARG A 64 5.110 1.226 -8.588 1.00 13.31 H new ATOM 0 HB3 ARG A 64 6.454 1.793 -9.559 1.00 13.31 H new ATOM 0 HG2 ARG A 64 5.886 -1.090 -8.747 1.00 44.22 H new ATOM 0 HG3 ARG A 64 5.733 -0.403 -10.353 1.00 44.22 H new ATOM 0 HD2 ARG A 64 8.329 -0.790 -8.795 1.00 50.12 H new ATOM 0 HD3 ARG A 64 7.805 -1.718 -10.186 1.00 50.12 H new ATOM 0 HE ARG A 64 7.830 0.765 -11.270 1.00 13.21 H new ATOM 0 HH11 ARG A 64 10.233 -0.843 -9.201 1.00 1.11 H new ATOM 0 HH12 ARG A 64 11.587 0.058 -9.890 1.00 1.11 H new ATOM 0 HH21 ARG A 64 9.595 1.916 -12.121 1.00 0.14 H new ATOM 0 HH22 ARG A 64 11.229 1.604 -11.526 1.00 0.14 H new ATOM 1054 N LYS A 65 7.820 3.335 -6.522 1.00 32.04 N ATOM 1055 CA LYS A 65 7.771 4.570 -5.738 1.00 33.41 C ATOM 1056 C LYS A 65 8.232 5.762 -6.578 1.00 44.40 C ATOM 1057 O LYS A 65 9.307 5.713 -7.186 1.00 15.31 O ATOM 1058 CB LYS A 65 8.681 4.402 -4.500 1.00 52.23 C ATOM 1059 CG LYS A 65 8.831 5.674 -3.641 1.00 55.14 C ATOM 1060 CD LYS A 65 9.738 5.456 -2.422 1.00 4.01 C ATOM 1061 CE LYS A 65 9.942 6.739 -1.618 1.00 42.31 C ATOM 1062 NZ LYS A 65 10.711 6.481 -0.378 1.00 4.44 N ATOM 0 H LYS A 65 8.769 3.023 -6.726 1.00 32.04 H new ATOM 0 HA LYS A 65 6.745 4.762 -5.423 1.00 33.41 H new ATOM 0 HB2 LYS A 65 8.281 3.602 -3.876 1.00 52.23 H new ATOM 0 HB3 LYS A 65 9.669 4.084 -4.831 1.00 52.23 H new ATOM 0 HG2 LYS A 65 9.239 6.477 -4.255 1.00 55.14 H new ATOM 0 HG3 LYS A 65 7.847 5.999 -3.304 1.00 55.14 H new ATOM 0 HD2 LYS A 65 9.302 4.692 -1.779 1.00 4.01 H new ATOM 0 HD3 LYS A 65 10.706 5.079 -2.754 1.00 4.01 H new ATOM 0 HE2 LYS A 65 10.468 7.473 -2.228 1.00 42.31 H new ATOM 0 HE3 LYS A 65 8.973 7.170 -1.365 1.00 42.31 H new ATOM 0 HZ1 LYS A 65 10.877 7.378 0.121 1.00 4.44 H new ATOM 0 HZ2 LYS A 65 10.173 5.838 0.237 1.00 4.44 H new ATOM 0 HZ3 LYS A 65 11.624 6.045 -0.620 1.00 4.44 H new ATOM 1076 N THR A 66 7.409 6.824 -6.612 1.00 12.14 N ATOM 1077 CA THR A 66 7.765 8.100 -7.244 1.00 4.40 C ATOM 1078 C THR A 66 7.046 9.258 -6.507 1.00 12.44 C ATOM 1079 O THR A 66 5.812 9.265 -6.413 1.00 55.23 O ATOM 1080 CB THR A 66 7.394 8.100 -8.770 1.00 72.14 C ATOM 1081 OG1 THR A 66 7.984 6.959 -9.417 1.00 4.33 O ATOM 1082 CG2 THR A 66 7.871 9.373 -9.488 1.00 53.05 C ATOM 0 H THR A 66 6.476 6.819 -6.200 1.00 12.14 H new ATOM 0 HA THR A 66 8.843 8.240 -7.169 1.00 4.40 H new ATOM 0 HB THR A 66 6.306 8.061 -8.832 1.00 72.14 H new ATOM 0 HG1 THR A 66 7.748 6.964 -10.368 1.00 4.33 H new ATOM 0 HG21 THR A 66 7.590 9.324 -10.540 1.00 53.05 H new ATOM 0 HG22 THR A 66 7.407 10.246 -9.029 1.00 53.05 H new ATOM 0 HG23 THR A 66 8.955 9.453 -9.405 1.00 53.05 H new ATOM 1090 N GLY A 67 7.840 10.224 -5.998 1.00 62.10 N ATOM 1091 CA GLY A 67 7.329 11.371 -5.241 1.00 12.25 C ATOM 1092 C GLY A 67 8.420 12.414 -5.023 1.00 22.32 C ATOM 1093 O GLY A 67 8.199 13.614 -5.243 1.00 44.31 O ATOM 0 H GLY A 67 8.854 10.224 -6.104 1.00 62.10 H new ATOM 0 HA2 GLY A 67 6.493 11.821 -5.777 1.00 12.25 H new ATOM 0 HA3 GLY A 67 6.946 11.034 -4.278 1.00 12.25 H new ATOM 1097 N GLY A 68 9.600 11.934 -4.574 1.00 22.32 N ATOM 1098 CA GLY A 68 10.818 12.750 -4.477 1.00 23.21 C ATOM 1099 C GLY A 68 10.741 13.822 -3.388 1.00 30.13 C ATOM 1100 O GLY A 68 10.837 13.500 -2.202 1.00 34.50 O ATOM 0 H GLY A 68 9.729 10.969 -4.270 1.00 22.32 H new ATOM 0 HA2 GLY A 68 11.669 12.099 -4.277 1.00 23.21 H new ATOM 0 HA3 GLY A 68 11.003 13.230 -5.438 1.00 23.21 H new ATOM 1104 N SER A 69 10.578 15.088 -3.822 1.00 4.40 N ATOM 1105 CA SER A 69 10.376 16.268 -2.961 1.00 64.10 C ATOM 1106 C SER A 69 10.124 17.490 -3.859 1.00 12.42 C ATOM 1107 O SER A 69 11.034 17.947 -4.567 1.00 60.12 O ATOM 1108 CB SER A 69 11.579 16.532 -2.025 1.00 21.51 C ATOM 1109 OG SER A 69 11.380 17.704 -1.250 1.00 60.31 O ATOM 0 H SER A 69 10.584 15.324 -4.814 1.00 4.40 H new ATOM 0 HA SER A 69 9.517 16.079 -2.317 1.00 64.10 H new ATOM 0 HB2 SER A 69 11.724 15.677 -1.365 1.00 21.51 H new ATOM 0 HB3 SER A 69 12.488 16.635 -2.617 1.00 21.51 H new ATOM 0 HG SER A 69 12.155 17.846 -0.667 1.00 60.31 H new ATOM 1115 N LEU A 70 8.881 17.989 -3.843 1.00 25.23 N ATOM 1116 CA LEU A 70 8.452 19.118 -4.685 1.00 31.41 C ATOM 1117 C LEU A 70 9.021 20.445 -4.146 1.00 11.22 C ATOM 1118 O LEU A 70 10.022 20.954 -4.671 1.00 61.02 O ATOM 1119 CB LEU A 70 6.906 19.138 -4.771 1.00 60.21 C ATOM 1120 CG LEU A 70 6.260 17.896 -5.457 1.00 73.45 C ATOM 1121 CD1 LEU A 70 4.729 17.906 -5.300 1.00 32.30 C ATOM 1122 CD2 LEU A 70 6.678 17.791 -6.947 1.00 53.24 C ATOM 0 H LEU A 70 8.141 17.621 -3.245 1.00 25.23 H new ATOM 0 HA LEU A 70 8.845 18.993 -5.694 1.00 31.41 H new ATOM 0 HB2 LEU A 70 6.504 19.225 -3.762 1.00 60.21 H new ATOM 0 HB3 LEU A 70 6.600 20.032 -5.314 1.00 60.21 H new ATOM 0 HG LEU A 70 6.636 17.007 -4.951 1.00 73.45 H new ATOM 0 HD11 LEU A 70 4.307 17.028 -5.789 1.00 32.30 H new ATOM 0 HD12 LEU A 70 4.472 17.891 -4.241 1.00 32.30 H new ATOM 0 HD13 LEU A 70 4.322 18.807 -5.759 1.00 32.30 H new ATOM 0 HD21 LEU A 70 6.210 16.914 -7.395 1.00 53.24 H new ATOM 0 HD22 LEU A 70 6.356 18.686 -7.479 1.00 53.24 H new ATOM 0 HD23 LEU A 70 7.762 17.699 -7.015 1.00 53.24 H new ATOM 1134 N GLU A 71 8.393 20.996 -3.084 1.00 30.24 N ATOM 1135 CA GLU A 71 8.907 22.188 -2.384 1.00 43.33 C ATOM 1136 C GLU A 71 9.645 21.722 -1.121 1.00 21.44 C ATOM 1137 O GLU A 71 9.020 21.218 -0.176 1.00 55.02 O ATOM 1138 CB GLU A 71 7.765 23.190 -2.027 1.00 74.14 C ATOM 1139 CG GLU A 71 8.260 24.545 -1.475 1.00 65.42 C ATOM 1140 CD GLU A 71 7.125 25.504 -1.079 1.00 40.22 C ATOM 1141 OE1 GLU A 71 6.658 26.286 -1.940 1.00 13.22 O ATOM 1142 OE2 GLU A 71 6.694 25.477 0.098 1.00 63.41 O ATOM 0 H GLU A 71 7.525 20.630 -2.693 1.00 30.24 H new ATOM 0 HA GLU A 71 9.591 22.724 -3.042 1.00 43.33 H new ATOM 0 HB2 GLU A 71 7.164 23.371 -2.918 1.00 74.14 H new ATOM 0 HB3 GLU A 71 7.109 22.728 -1.289 1.00 74.14 H new ATOM 0 HG2 GLU A 71 8.891 24.364 -0.605 1.00 65.42 H new ATOM 0 HG3 GLU A 71 8.885 25.027 -2.227 1.00 65.42 H new ATOM 1149 N HIS A 72 10.980 21.861 -1.135 1.00 53.15 N ATOM 1150 CA HIS A 72 11.852 21.461 -0.018 1.00 34.53 C ATOM 1151 C HIS A 72 11.703 22.487 1.120 1.00 61.34 C ATOM 1152 O HIS A 72 11.905 23.681 0.896 1.00 31.10 O ATOM 1153 CB HIS A 72 13.331 21.385 -0.484 1.00 44.12 C ATOM 1154 CG HIS A 72 13.608 20.352 -1.556 1.00 65.12 C ATOM 1155 ND1 HIS A 72 14.515 19.324 -1.397 1.00 72.51 N ATOM 1156 CD2 HIS A 72 13.129 20.223 -2.825 1.00 24.51 C ATOM 1157 CE1 HIS A 72 14.581 18.616 -2.509 1.00 65.01 C ATOM 1158 NE2 HIS A 72 13.752 19.137 -3.387 1.00 4.24 N ATOM 0 H HIS A 72 11.488 22.256 -1.926 1.00 53.15 H new ATOM 0 HA HIS A 72 11.559 20.473 0.337 1.00 34.53 H new ATOM 0 HB2 HIS A 72 13.630 22.364 -0.857 1.00 44.12 H new ATOM 0 HB3 HIS A 72 13.959 21.168 0.380 1.00 44.12 H new ATOM 0 HD2 HIS A 72 12.395 20.857 -3.300 1.00 24.51 H new ATOM 0 HE1 HIS A 72 15.210 17.753 -2.671 1.00 65.01 H new ATOM 0 HE2 HIS A 72 13.597 18.790 -4.333 1.00 4.24 H new ATOM 1167 N HIS A 73 11.358 22.009 2.335 1.00 61.02 N ATOM 1168 CA HIS A 73 11.120 22.878 3.517 1.00 4.13 C ATOM 1169 C HIS A 73 12.433 23.449 4.084 1.00 42.00 C ATOM 1170 O HIS A 73 12.406 24.270 5.005 1.00 72.35 O ATOM 1171 CB HIS A 73 10.301 22.129 4.611 1.00 52.23 C ATOM 1172 CG HIS A 73 8.887 21.775 4.202 1.00 43.24 C ATOM 1173 ND1 HIS A 73 7.780 22.075 4.964 1.00 51.34 N ATOM 1174 CD2 HIS A 73 8.413 21.112 3.116 1.00 30.11 C ATOM 1175 CE1 HIS A 73 6.697 21.620 4.368 1.00 61.12 C ATOM 1176 NE2 HIS A 73 7.050 21.029 3.243 1.00 73.11 N ATOM 0 H HIS A 73 11.236 21.015 2.528 1.00 61.02 H new ATOM 0 HA HIS A 73 10.525 23.727 3.181 1.00 4.13 H new ATOM 0 HB2 HIS A 73 10.828 21.214 4.879 1.00 52.23 H new ATOM 0 HB3 HIS A 73 10.263 22.749 5.507 1.00 52.23 H new ATOM 0 HD2 HIS A 73 9.003 20.721 2.300 1.00 30.11 H new ATOM 0 HE1 HIS A 73 5.687 21.715 4.739 1.00 61.12 H new ATOM 0 HE2 HIS A 73 6.416 20.585 2.579 1.00 73.11 H new ATOM 1185 N HIS A 74 13.578 23.011 3.533 1.00 53.44 N ATOM 1186 CA HIS A 74 14.877 23.637 3.805 1.00 44.12 C ATOM 1187 C HIS A 74 14.973 24.965 3.014 1.00 34.53 C ATOM 1188 O HIS A 74 15.284 24.976 1.814 1.00 42.24 O ATOM 1189 CB HIS A 74 16.042 22.674 3.454 1.00 12.43 C ATOM 1190 CG HIS A 74 17.421 23.189 3.822 1.00 44.20 C ATOM 1191 ND1 HIS A 74 18.077 22.817 4.980 1.00 71.45 N ATOM 1192 CD2 HIS A 74 18.269 24.037 3.182 1.00 11.41 C ATOM 1193 CE1 HIS A 74 19.253 23.414 5.036 1.00 4.14 C ATOM 1194 NE2 HIS A 74 19.392 24.155 3.960 1.00 61.43 N ATOM 0 H HIS A 74 13.626 22.219 2.892 1.00 53.44 H new ATOM 0 HA HIS A 74 14.961 23.856 4.869 1.00 44.12 H new ATOM 0 HB2 HIS A 74 15.876 21.724 3.962 1.00 12.43 H new ATOM 0 HB3 HIS A 74 16.018 22.471 2.383 1.00 12.43 H new ATOM 0 HD2 HIS A 74 18.091 24.527 2.236 1.00 11.41 H new ATOM 0 HE1 HIS A 74 19.977 23.311 5.831 1.00 4.14 H new ATOM 0 HE2 HIS A 74 20.207 24.728 3.738 1.00 61.43 H new ATOM 1203 N HIS A 75 14.631 26.065 3.698 1.00 2.31 N ATOM 1204 CA HIS A 75 14.714 27.440 3.173 1.00 34.34 C ATOM 1205 C HIS A 75 15.597 28.270 4.109 1.00 63.31 C ATOM 1206 O HIS A 75 15.959 27.819 5.203 1.00 24.45 O ATOM 1207 CB HIS A 75 13.309 28.114 3.115 1.00 53.33 C ATOM 1208 CG HIS A 75 12.339 27.521 2.138 1.00 14.02 C ATOM 1209 ND1 HIS A 75 12.117 28.046 0.885 1.00 24.13 N ATOM 1210 CD2 HIS A 75 11.508 26.462 2.248 1.00 33.43 C ATOM 1211 CE1 HIS A 75 11.199 27.336 0.271 1.00 11.01 C ATOM 1212 NE2 HIS A 75 10.811 26.365 1.073 1.00 14.10 N ATOM 0 H HIS A 75 14.280 26.026 4.655 1.00 2.31 H new ATOM 0 HA HIS A 75 15.126 27.395 2.165 1.00 34.34 H new ATOM 0 HB2 HIS A 75 12.865 28.071 4.110 1.00 53.33 H new ATOM 0 HB3 HIS A 75 13.443 29.168 2.871 1.00 53.33 H new ATOM 0 HD2 HIS A 75 11.411 25.812 3.105 1.00 33.43 H new ATOM 0 HE1 HIS A 75 10.824 27.518 -0.725 1.00 11.01 H new ATOM 0 HE2 HIS A 75 10.108 25.659 0.855 1.00 14.10 H new ATOM 1221 N HIS A 76 15.926 29.494 3.682 1.00 45.34 N ATOM 1222 CA HIS A 76 16.501 30.508 4.569 1.00 4.02 C ATOM 1223 C HIS A 76 15.356 31.379 5.094 1.00 70.54 C ATOM 1224 O HIS A 76 14.950 32.347 4.443 1.00 61.05 O ATOM 1225 CB HIS A 76 17.580 31.356 3.845 1.00 52.24 C ATOM 1226 CG HIS A 76 18.305 32.331 4.748 1.00 23.22 C ATOM 1227 ND1 HIS A 76 19.409 31.981 5.504 1.00 61.12 N ATOM 1228 CD2 HIS A 76 18.078 33.644 5.020 1.00 41.42 C ATOM 1229 CE1 HIS A 76 19.821 33.030 6.190 1.00 51.12 C ATOM 1230 NE2 HIS A 76 19.034 34.045 5.915 1.00 23.34 N ATOM 0 H HIS A 76 15.802 29.807 2.719 1.00 45.34 H new ATOM 0 HA HIS A 76 17.010 30.024 5.403 1.00 4.02 H new ATOM 0 HB2 HIS A 76 18.310 30.686 3.391 1.00 52.24 H new ATOM 0 HB3 HIS A 76 17.108 31.910 3.034 1.00 52.24 H new ATOM 0 HD2 HIS A 76 17.290 34.257 4.607 1.00 41.42 H new ATOM 0 HE1 HIS A 76 20.664 33.051 6.865 1.00 51.12 H new ATOM 0 HE2 HIS A 76 19.121 34.983 6.306 1.00 23.34 H new ATOM 1239 N HIS A 77 14.774 30.960 6.226 1.00 12.22 N ATOM 1240 CA HIS A 77 13.755 31.740 6.931 1.00 40.23 C ATOM 1241 C HIS A 77 14.477 32.818 7.782 1.00 35.52 C ATOM 1242 O HIS A 77 14.938 32.504 8.901 1.00 2.12 O ATOM 1243 CB HIS A 77 12.849 30.802 7.787 1.00 24.11 C ATOM 1244 CG HIS A 77 11.770 31.534 8.558 1.00 40.20 C ATOM 1245 ND1 HIS A 77 11.872 31.822 9.904 1.00 70.13 N ATOM 1246 CD2 HIS A 77 10.577 32.051 8.160 1.00 42.24 C ATOM 1247 CE1 HIS A 77 10.801 32.480 10.297 1.00 20.01 C ATOM 1248 NE2 HIS A 77 9.999 32.636 9.262 1.00 42.42 N ATOM 1249 OXT HIS A 77 14.640 33.953 7.297 1.00 36.98 O ATOM 0 H HIS A 77 14.998 30.072 6.676 1.00 12.22 H new ATOM 0 HA HIS A 77 13.091 32.242 6.227 1.00 40.23 H new ATOM 0 HB2 HIS A 77 12.380 30.068 7.132 1.00 24.11 H new ATOM 0 HB3 HIS A 77 13.474 30.250 8.489 1.00 24.11 H new ATOM 0 HD2 HIS A 77 10.161 32.010 7.164 1.00 42.24 H new ATOM 0 HE1 HIS A 77 10.611 32.833 11.300 1.00 20.01 H new ATOM 0 HE2 HIS A 77 9.097 33.113 9.276 1.00 42.42 H new TER 1258 HIS A 77