USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 911 hydrogens (32 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 66 MET CE :methyl -175:sc= -0.348 (180deg=0) USER MOD Set 1.2: A 85 MET CE :methyl -138:sc= -4.97! (180deg=-6.82!) USER MOD Set 1.3: A 90 MET CE :methyl -128:sc= -1.4 (180deg=-4.64!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00719 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -75:sc= -1.04 USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= -0.0867 (180deg=-0.464) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -140:sc= 0.139 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 28 HIS : no HE2:sc= -5.91! C(o=-5.9!,f=-5.5!) USER MOD Single : A 30 TYR OH : rot 108:sc= -1.53 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.796 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.00093) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.4) USER MOD Single : A 46 MET CE :methyl 139:sc= -0.49 (180deg=-3.16!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 49:sc= 0.428 USER MOD Single : A 63 THR OG1 : rot -161:sc= -0.449 USER MOD Single : A 65 THR OG1 : rot -160:sc= -1.99 USER MOD Single : A 71 MET CE :methyl 141:sc= -2.5 (180deg=-7.62!) USER MOD Single : A 76 THR OG1 : rot -84:sc= 1.32 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.548 K(o=-0.55,f=-1.1) USER MOD Single : A 108 SER OG : rot -170:sc= -0.394 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 PLM O1 : rot 81:sc= -2.01! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.724 -0.044 -1.822 1.00 2.12 N ATOM 2 CA MET A 1 2.130 0.344 -1.792 1.00 55.40 C ATOM 3 C MET A 1 3.032 -0.865 -2.019 1.00 43.44 C ATOM 4 O MET A 1 2.935 -1.865 -1.306 1.00 21.44 O ATOM 5 CB MET A 1 2.471 1.006 -0.456 1.00 1.43 C ATOM 6 CG MET A 1 3.622 1.995 -0.544 1.00 14.10 C ATOM 7 SD MET A 1 4.182 2.555 1.075 1.00 63.13 S ATOM 8 CE MET A 1 5.475 3.704 0.608 1.00 63.32 C ATOM 0 H1 MET A 1 0.129 0.795 -1.665 1.00 2.12 H new ATOM 0 H2 MET A 1 0.498 -0.460 -2.748 1.00 2.12 H new ATOM 0 H3 MET A 1 0.541 -0.743 -1.074 1.00 2.12 H new ATOM 0 HA MET A 1 2.301 1.059 -2.597 1.00 55.40 H new ATOM 0 HB2 MET A 1 1.588 1.522 -0.080 1.00 1.43 H new ATOM 0 HB3 MET A 1 2.722 0.233 0.270 1.00 1.43 H new ATOM 0 HG2 MET A 1 4.455 1.531 -1.072 1.00 14.10 H new ATOM 0 HG3 MET A 1 3.311 2.857 -1.135 1.00 14.10 H new ATOM 0 HE1 MET A 1 5.920 4.135 1.505 1.00 63.32 H new ATOM 0 HE2 MET A 1 6.242 3.177 0.040 1.00 63.32 H new ATOM 0 HE3 MET A 1 5.051 4.499 -0.005 1.00 63.32 H new ATOM 18 N SER A 2 3.907 -0.768 -3.014 1.00 54.23 N ATOM 19 CA SER A 2 4.822 -1.856 -3.336 1.00 32.41 C ATOM 20 C SER A 2 6.153 -1.678 -2.611 1.00 10.23 C ATOM 21 O SER A 2 6.649 -0.560 -2.462 1.00 4.44 O ATOM 22 CB SER A 2 5.057 -1.923 -4.847 1.00 33.45 C ATOM 23 OG SER A 2 5.356 -0.642 -5.374 1.00 15.20 O ATOM 0 H SER A 2 4.002 0.053 -3.611 1.00 54.23 H new ATOM 0 HA SER A 2 4.368 -2.790 -3.004 1.00 32.41 H new ATOM 0 HB2 SER A 2 5.877 -2.608 -5.061 1.00 33.45 H new ATOM 0 HB3 SER A 2 4.171 -2.324 -5.339 1.00 33.45 H new ATOM 0 HG SER A 2 5.504 -0.712 -6.340 1.00 15.20 H new ATOM 29 N LEU A 3 6.728 -2.789 -2.162 1.00 73.31 N ATOM 30 CA LEU A 3 8.001 -2.758 -1.451 1.00 75.02 C ATOM 31 C LEU A 3 9.066 -3.543 -2.210 1.00 14.53 C ATOM 32 O LEU A 3 8.777 -4.194 -3.214 1.00 42.22 O ATOM 33 CB LEU A 3 7.836 -3.330 -0.043 1.00 63.32 C ATOM 34 CG LEU A 3 7.502 -2.321 1.057 1.00 12.11 C ATOM 35 CD1 LEU A 3 6.878 -3.022 2.254 1.00 30.40 C ATOM 36 CD2 LEU A 3 8.748 -1.555 1.475 1.00 14.33 C ATOM 0 H LEU A 3 6.333 -3.722 -2.278 1.00 73.31 H new ATOM 0 HA LEU A 3 8.323 -1.719 -1.378 1.00 75.02 H new ATOM 0 HB2 LEU A 3 7.049 -4.083 -0.069 1.00 63.32 H new ATOM 0 HB3 LEU A 3 8.759 -3.842 0.230 1.00 63.32 H new ATOM 0 HG LEU A 3 6.778 -1.609 0.661 1.00 12.11 H new ATOM 0 HD11 LEU A 3 6.647 -2.288 3.026 1.00 30.40 H new ATOM 0 HD12 LEU A 3 5.961 -3.524 1.945 1.00 30.40 H new ATOM 0 HD13 LEU A 3 7.578 -3.758 2.650 1.00 30.40 H new ATOM 0 HD21 LEU A 3 8.491 -0.842 2.258 1.00 14.33 H new ATOM 0 HD22 LEU A 3 9.495 -2.254 1.851 1.00 14.33 H new ATOM 0 HD23 LEU A 3 9.152 -1.020 0.615 1.00 14.33 H new ATOM 48 N LYS A 4 10.301 -3.480 -1.721 1.00 74.23 N ATOM 49 CA LYS A 4 11.410 -4.188 -2.349 1.00 53.11 C ATOM 50 C LYS A 4 11.195 -5.696 -2.293 1.00 23.13 C ATOM 51 O LYS A 4 11.118 -6.361 -3.326 1.00 33.14 O ATOM 52 CB LYS A 4 12.728 -3.824 -1.663 1.00 4.34 C ATOM 53 CG LYS A 4 13.258 -2.453 -2.051 1.00 14.11 C ATOM 54 CD LYS A 4 13.675 -1.652 -0.829 1.00 62.11 C ATOM 55 CE LYS A 4 12.533 -0.791 -0.311 1.00 4.50 C ATOM 56 NZ LYS A 4 12.418 0.490 -1.062 1.00 25.42 N1+ ATOM 0 H LYS A 4 10.558 -2.945 -0.891 1.00 74.23 H new ATOM 0 HA LYS A 4 11.456 -3.885 -3.395 1.00 53.11 H new ATOM 0 HB2 LYS A 4 12.587 -3.857 -0.583 1.00 4.34 H new ATOM 0 HB3 LYS A 4 13.477 -4.577 -1.910 1.00 4.34 H new ATOM 0 HG2 LYS A 4 14.110 -2.567 -2.721 1.00 14.11 H new ATOM 0 HG3 LYS A 4 12.491 -1.907 -2.601 1.00 14.11 H new ATOM 0 HD2 LYS A 4 14.006 -2.331 -0.043 1.00 62.11 H new ATOM 0 HD3 LYS A 4 14.525 -1.018 -1.081 1.00 62.11 H new ATOM 0 HE2 LYS A 4 11.597 -1.344 -0.390 1.00 4.50 H new ATOM 0 HE3 LYS A 4 12.689 -0.579 0.747 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 11.628 1.048 -0.678 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 13.302 1.030 -0.966 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 12.243 0.289 -2.067 1.00 25.42 H new ATOM 70 N SER A 5 11.096 -6.231 -1.079 1.00 45.41 N ATOM 71 CA SER A 5 10.892 -7.661 -0.889 1.00 45.22 C ATOM 72 C SER A 5 9.816 -8.188 -1.834 1.00 54.53 C ATOM 73 O SER A 5 9.854 -9.345 -2.252 1.00 44.30 O ATOM 74 CB SER A 5 10.500 -7.953 0.562 1.00 53.55 C ATOM 75 OG SER A 5 11.335 -7.252 1.466 1.00 22.21 O ATOM 0 H SER A 5 11.154 -5.695 -0.213 1.00 45.41 H new ATOM 0 HA SER A 5 11.829 -8.169 -1.115 1.00 45.22 H new ATOM 0 HB2 SER A 5 9.461 -7.668 0.726 1.00 53.55 H new ATOM 0 HB3 SER A 5 10.570 -9.024 0.753 1.00 53.55 H new ATOM 0 HG SER A 5 12.212 -7.687 1.506 1.00 22.21 H new ATOM 81 N ASP A 6 8.858 -7.329 -2.166 1.00 52.44 N ATOM 82 CA ASP A 6 7.771 -7.705 -3.062 1.00 71.01 C ATOM 83 C ASP A 6 8.317 -8.265 -4.372 1.00 21.35 C ATOM 84 O ASP A 6 7.905 -9.334 -4.821 1.00 22.51 O ATOM 85 CB ASP A 6 6.872 -6.500 -3.343 1.00 22.02 C ATOM 86 CG ASP A 6 5.427 -6.896 -3.572 1.00 15.21 C ATOM 87 OD1 ASP A 6 4.845 -7.560 -2.688 1.00 43.34 O ATOM 88 OD2 ASP A 6 4.877 -6.543 -4.636 1.00 45.13 O1- ATOM 0 H ASP A 6 8.812 -6.368 -1.828 1.00 52.44 H new ATOM 0 HA ASP A 6 7.182 -8.481 -2.573 1.00 71.01 H new ATOM 0 HB2 ASP A 6 6.927 -5.806 -2.504 1.00 22.02 H new ATOM 0 HB3 ASP A 6 7.244 -5.970 -4.220 1.00 22.02 H new ATOM 93 N GLU A 7 9.244 -7.533 -4.982 1.00 34.23 N ATOM 94 CA GLU A 7 9.844 -7.956 -6.242 1.00 34.02 C ATOM 95 C GLU A 7 10.350 -9.393 -6.148 1.00 65.44 C ATOM 96 O GLU A 7 10.269 -10.155 -7.112 1.00 4.31 O ATOM 97 CB GLU A 7 10.995 -7.022 -6.624 1.00 60.23 C ATOM 98 CG GLU A 7 10.954 -6.567 -8.073 1.00 53.31 C ATOM 99 CD GLU A 7 10.238 -5.241 -8.248 1.00 52.50 C ATOM 100 OE1 GLU A 7 10.593 -4.277 -7.538 1.00 23.23 O1- ATOM 101 OE2 GLU A 7 9.323 -5.168 -9.095 1.00 42.03 O ATOM 0 H GLU A 7 9.596 -6.645 -4.624 1.00 34.23 H new ATOM 0 HA GLU A 7 9.076 -7.909 -7.014 1.00 34.02 H new ATOM 0 HB2 GLU A 7 10.971 -6.146 -5.976 1.00 60.23 H new ATOM 0 HB3 GLU A 7 11.941 -7.530 -6.438 1.00 60.23 H new ATOM 0 HG2 GLU A 7 11.972 -6.478 -8.451 1.00 53.31 H new ATOM 0 HG3 GLU A 7 10.456 -7.327 -8.675 1.00 53.31 H new ATOM 108 N VAL A 8 10.873 -9.755 -4.981 1.00 74.30 N ATOM 109 CA VAL A 8 11.392 -11.100 -4.760 1.00 35.34 C ATOM 110 C VAL A 8 10.326 -12.153 -5.041 1.00 41.31 C ATOM 111 O VAL A 8 10.490 -12.999 -5.920 1.00 60.20 O ATOM 112 CB VAL A 8 11.903 -11.274 -3.318 1.00 62.21 C ATOM 113 CG1 VAL A 8 12.390 -12.696 -3.092 1.00 15.23 C ATOM 114 CG2 VAL A 8 13.006 -10.270 -3.019 1.00 74.14 C ATOM 0 H VAL A 8 10.949 -9.136 -4.174 1.00 74.30 H new ATOM 0 HA VAL A 8 12.224 -11.236 -5.451 1.00 35.34 H new ATOM 0 HB VAL A 8 11.076 -11.086 -2.633 1.00 62.21 H new ATOM 0 HG11 VAL A 8 12.747 -12.800 -2.067 1.00 15.23 H new ATOM 0 HG12 VAL A 8 11.570 -13.393 -3.262 1.00 15.23 H new ATOM 0 HG13 VAL A 8 13.203 -12.916 -3.784 1.00 15.23 H new ATOM 0 HG21 VAL A 8 13.355 -10.407 -1.996 1.00 74.14 H new ATOM 0 HG22 VAL A 8 13.835 -10.424 -3.709 1.00 74.14 H new ATOM 0 HG23 VAL A 8 12.619 -9.258 -3.137 1.00 74.14 H new ATOM 124 N PHE A 9 9.232 -12.096 -4.288 1.00 5.40 N ATOM 125 CA PHE A 9 8.138 -13.045 -4.455 1.00 4.42 C ATOM 126 C PHE A 9 7.743 -13.166 -5.925 1.00 14.12 C ATOM 127 O PHE A 9 7.585 -14.269 -6.447 1.00 72.03 O ATOM 128 CB PHE A 9 6.928 -12.613 -3.624 1.00 14.30 C ATOM 129 CG PHE A 9 7.232 -12.453 -2.162 1.00 1.13 C ATOM 130 CD1 PHE A 9 7.845 -13.473 -1.452 1.00 64.03 C ATOM 131 CD2 PHE A 9 6.904 -11.283 -1.497 1.00 71.40 C ATOM 132 CE1 PHE A 9 8.126 -13.330 -0.107 1.00 45.45 C ATOM 133 CE2 PHE A 9 7.184 -11.133 -0.152 1.00 70.23 C ATOM 134 CZ PHE A 9 7.794 -12.158 0.545 1.00 3.11 C ATOM 0 H PHE A 9 9.080 -11.402 -3.556 1.00 5.40 H new ATOM 0 HA PHE A 9 8.479 -14.020 -4.107 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.548 -11.668 -4.014 1.00 14.30 H new ATOM 0 HB3 PHE A 9 6.133 -13.350 -3.743 1.00 14.30 H new ATOM 0 HD1 PHE A 9 8.106 -14.391 -1.957 1.00 64.03 H new ATOM 0 HD2 PHE A 9 6.424 -10.479 -2.036 1.00 71.40 H new ATOM 0 HE1 PHE A 9 8.604 -14.133 0.434 1.00 45.45 H new ATOM 0 HE2 PHE A 9 6.926 -10.215 0.354 1.00 70.23 H new ATOM 0 HZ PHE A 9 8.011 -12.043 1.597 1.00 3.11 H new ATOM 144 N ALA A 10 7.585 -12.023 -6.585 1.00 54.15 N ATOM 145 CA ALA A 10 7.210 -12.001 -7.993 1.00 71.40 C ATOM 146 C ALA A 10 8.278 -12.662 -8.857 1.00 23.42 C ATOM 147 O ALA A 10 7.969 -13.463 -9.741 1.00 32.34 O ATOM 148 CB ALA A 10 6.969 -10.571 -8.452 1.00 11.12 C ATOM 0 H ALA A 10 7.711 -11.101 -6.167 1.00 54.15 H new ATOM 0 HA ALA A 10 6.286 -12.569 -8.106 1.00 71.40 H new ATOM 0 HB1 ALA A 10 6.690 -10.569 -9.506 1.00 11.12 H new ATOM 0 HB2 ALA A 10 6.165 -10.130 -7.863 1.00 11.12 H new ATOM 0 HB3 ALA A 10 7.880 -9.987 -8.317 1.00 11.12 H new ATOM 154 N LYS A 11 9.536 -12.324 -8.596 1.00 53.04 N ATOM 155 CA LYS A 11 10.651 -12.886 -9.348 1.00 71.11 C ATOM 156 C LYS A 11 10.642 -14.409 -9.280 1.00 34.23 C ATOM 157 O LYS A 11 10.710 -15.087 -10.306 1.00 35.32 O ATOM 158 CB LYS A 11 11.979 -12.348 -8.809 1.00 75.32 C ATOM 159 CG LYS A 11 12.351 -10.983 -9.360 1.00 51.04 C ATOM 160 CD LYS A 11 13.731 -10.550 -8.891 1.00 31.12 C ATOM 161 CE LYS A 11 13.684 -9.969 -7.486 1.00 2.51 C ATOM 162 NZ LYS A 11 14.230 -8.584 -7.440 1.00 32.05 N1+ ATOM 0 H LYS A 11 9.809 -11.663 -7.869 1.00 53.04 H new ATOM 0 HA LYS A 11 10.541 -12.587 -10.390 1.00 71.11 H new ATOM 0 HB2 LYS A 11 11.923 -12.289 -7.722 1.00 75.32 H new ATOM 0 HB3 LYS A 11 12.772 -13.056 -9.049 1.00 75.32 H new ATOM 0 HG2 LYS A 11 12.328 -11.011 -10.449 1.00 51.04 H new ATOM 0 HG3 LYS A 11 11.611 -10.248 -9.044 1.00 51.04 H new ATOM 0 HD2 LYS A 11 14.408 -11.404 -8.910 1.00 31.12 H new ATOM 0 HD3 LYS A 11 14.134 -9.808 -9.580 1.00 31.12 H new ATOM 0 HE2 LYS A 11 12.654 -9.965 -7.129 1.00 2.51 H new ATOM 0 HE3 LYS A 11 14.254 -10.607 -6.810 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 14.418 -8.318 -6.452 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 15.115 -8.541 -7.985 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 13.539 -7.924 -7.851 1.00 32.05 H new ATOM 176 N ILE A 12 10.557 -14.942 -8.065 1.00 21.10 N ATOM 177 CA ILE A 12 10.536 -16.386 -7.864 1.00 64.54 C ATOM 178 C ILE A 12 9.413 -17.036 -8.665 1.00 34.03 C ATOM 179 O ILE A 12 9.653 -17.926 -9.480 1.00 74.53 O ATOM 180 CB ILE A 12 10.364 -16.744 -6.377 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.615 -16.350 -5.587 1.00 64.04 C ATOM 182 CG2 ILE A 12 10.079 -18.231 -6.219 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.516 -16.652 -4.108 1.00 2.33 C ATOM 0 H ILE A 12 10.502 -14.396 -7.206 1.00 21.10 H new ATOM 0 HA ILE A 12 11.496 -16.768 -8.213 1.00 64.54 H new ATOM 0 HB ILE A 12 9.515 -16.187 -5.981 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.476 -16.875 -6.000 1.00 64.04 H new ATOM 0 HG13 ILE A 12 11.798 -15.284 -5.720 1.00 64.04 H new ATOM 0 HG21 ILE A 12 9.960 -18.468 -5.162 1.00 5.33 H new ATOM 0 HG22 ILE A 12 9.163 -18.485 -6.753 1.00 5.33 H new ATOM 0 HG23 ILE A 12 10.909 -18.806 -6.629 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.437 -16.347 -3.612 1.00 2.33 H new ATOM 0 HD12 ILE A 12 10.675 -16.105 -3.681 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.364 -17.722 -3.964 1.00 2.33 H new ATOM 195 N ALA A 13 8.186 -16.583 -8.428 1.00 52.24 N ATOM 196 CA ALA A 13 7.026 -17.117 -9.130 1.00 63.33 C ATOM 197 C ALA A 13 7.217 -17.047 -10.641 1.00 65.53 C ATOM 198 O ALA A 13 7.073 -18.047 -11.345 1.00 52.01 O ATOM 199 CB ALA A 13 5.769 -16.366 -8.720 1.00 65.33 C ATOM 0 H ALA A 13 7.970 -15.847 -7.755 1.00 52.24 H new ATOM 0 HA ALA A 13 6.917 -18.165 -8.853 1.00 63.33 H new ATOM 0 HB1 ALA A 13 4.911 -16.776 -9.252 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.615 -16.473 -7.646 1.00 65.33 H new ATOM 0 HB3 ALA A 13 5.879 -15.310 -8.967 1.00 65.33 H new ATOM 205 N LYS A 14 7.544 -15.857 -11.137 1.00 61.31 N ATOM 206 CA LYS A 14 7.756 -15.654 -12.565 1.00 24.13 C ATOM 207 C LYS A 14 8.811 -16.617 -13.100 1.00 74.23 C ATOM 208 O LYS A 14 8.814 -16.954 -14.284 1.00 64.00 O ATOM 209 CB LYS A 14 8.182 -14.211 -12.839 1.00 55.21 C ATOM 210 CG LYS A 14 7.885 -13.745 -14.254 1.00 43.13 C ATOM 211 CD LYS A 14 9.144 -13.703 -15.102 1.00 15.10 C ATOM 212 CE LYS A 14 8.898 -13.004 -16.430 1.00 0.23 C ATOM 213 NZ LYS A 14 9.980 -12.035 -16.757 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.668 -15.018 -10.570 1.00 61.31 H new ATOM 0 HA LYS A 14 6.815 -15.851 -13.078 1.00 24.13 H new ATOM 0 HB2 LYS A 14 7.675 -13.552 -12.135 1.00 55.21 H new ATOM 0 HB3 LYS A 14 9.251 -14.115 -12.651 1.00 55.21 H new ATOM 0 HG2 LYS A 14 7.158 -14.414 -14.713 1.00 43.13 H new ATOM 0 HG3 LYS A 14 7.432 -12.754 -14.224 1.00 43.13 H new ATOM 0 HD2 LYS A 14 9.934 -13.185 -14.558 1.00 15.10 H new ATOM 0 HD3 LYS A 14 9.496 -14.719 -15.284 1.00 15.10 H new ATOM 0 HE2 LYS A 14 8.825 -13.748 -17.223 1.00 0.23 H new ATOM 0 HE3 LYS A 14 7.942 -12.482 -16.394 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 9.775 -11.580 -17.669 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 10.033 -11.310 -16.013 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 10.889 -12.537 -16.817 1.00 52.31 H new ATOM 227 N ARG A 15 9.704 -17.058 -12.220 1.00 24.20 N ATOM 228 CA ARG A 15 10.764 -17.982 -12.605 1.00 2.23 C ATOM 229 C ARG A 15 10.224 -19.402 -12.740 1.00 74.55 C ATOM 230 O ARG A 15 10.690 -20.179 -13.573 1.00 13.42 O ATOM 231 CB ARG A 15 11.895 -17.950 -11.576 1.00 52.33 C ATOM 232 CG ARG A 15 13.279 -17.839 -12.196 1.00 60.13 C ATOM 233 CD ARG A 15 13.548 -18.979 -13.166 1.00 64.22 C ATOM 234 NE ARG A 15 13.137 -18.648 -14.528 1.00 31.41 N ATOM 235 CZ ARG A 15 13.731 -17.722 -15.271 1.00 3.45 C ATOM 236 NH1 ARG A 15 14.759 -17.039 -14.787 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 13.298 -17.477 -16.501 1.00 54.20 N ATOM 0 H ARG A 15 9.715 -16.790 -11.236 1.00 24.20 H new ATOM 0 HA ARG A 15 11.154 -17.667 -13.573 1.00 2.23 H new ATOM 0 HB2 ARG A 15 11.739 -17.107 -10.903 1.00 52.33 H new ATOM 0 HB3 ARG A 15 11.849 -18.855 -10.970 1.00 52.33 H new ATOM 0 HG2 ARG A 15 13.370 -16.887 -12.718 1.00 60.13 H new ATOM 0 HG3 ARG A 15 14.033 -17.844 -11.409 1.00 60.13 H new ATOM 0 HD2 ARG A 15 14.611 -19.220 -13.157 1.00 64.22 H new ATOM 0 HD3 ARG A 15 13.016 -19.871 -12.834 1.00 64.22 H new ATOM 0 HE ARG A 15 12.350 -19.157 -14.931 1.00 31.41 H new ATOM 0 HH11 ARG A 15 15.095 -17.225 -13.842 1.00 71.10 H new ATOM 0 HH12 ARG A 15 15.214 -16.328 -15.360 1.00 71.10 H new ATOM 0 HH21 ARG A 15 12.507 -18.000 -16.877 1.00 54.20 H new ATOM 0 HH22 ARG A 15 13.756 -16.765 -17.070 1.00 54.20 H new ATOM 251 N LEU A 16 9.239 -19.736 -11.913 1.00 62.42 N ATOM 252 CA LEU A 16 8.635 -21.064 -11.939 1.00 42.54 C ATOM 253 C LEU A 16 7.858 -21.284 -13.233 1.00 3.14 C ATOM 254 O LEU A 16 7.885 -22.373 -13.806 1.00 45.05 O ATOM 255 CB LEU A 16 7.706 -21.247 -10.736 1.00 71.15 C ATOM 256 CG LEU A 16 8.178 -20.621 -9.423 1.00 53.24 C ATOM 257 CD1 LEU A 16 7.265 -21.030 -8.279 1.00 44.00 C ATOM 258 CD2 LEU A 16 9.617 -21.021 -9.128 1.00 22.33 C ATOM 0 H LEU A 16 8.842 -19.106 -11.216 1.00 62.42 H new ATOM 0 HA LEU A 16 9.436 -21.801 -11.888 1.00 42.54 H new ATOM 0 HB2 LEU A 16 6.732 -20.826 -10.987 1.00 71.15 H new ATOM 0 HB3 LEU A 16 7.560 -22.315 -10.574 1.00 71.15 H new ATOM 0 HG LEU A 16 8.137 -19.537 -9.524 1.00 53.24 H new ATOM 0 HD11 LEU A 16 7.616 -20.575 -7.353 1.00 44.00 H new ATOM 0 HD12 LEU A 16 6.249 -20.693 -8.486 1.00 44.00 H new ATOM 0 HD13 LEU A 16 7.274 -22.115 -8.177 1.00 44.00 H new ATOM 0 HD21 LEU A 16 9.936 -20.566 -8.190 1.00 22.33 H new ATOM 0 HD22 LEU A 16 9.684 -22.106 -9.047 1.00 22.33 H new ATOM 0 HD23 LEU A 16 10.263 -20.677 -9.936 1.00 22.33 H new ATOM 270 N GLU A 17 7.169 -20.242 -13.688 1.00 24.21 N ATOM 271 CA GLU A 17 6.387 -20.322 -14.916 1.00 73.03 C ATOM 272 C GLU A 17 7.283 -20.626 -16.113 1.00 53.54 C ATOM 273 O GLU A 17 6.808 -21.061 -17.163 1.00 53.11 O ATOM 274 CB GLU A 17 5.630 -19.013 -15.151 1.00 62.44 C ATOM 275 CG GLU A 17 4.831 -18.548 -13.945 1.00 32.22 C ATOM 276 CD GLU A 17 4.201 -17.184 -14.155 1.00 55.30 C ATOM 277 OE1 GLU A 17 4.614 -16.479 -15.098 1.00 64.43 O ATOM 278 OE2 GLU A 17 3.295 -16.823 -13.375 1.00 71.21 O1- ATOM 0 H GLU A 17 7.137 -19.334 -13.225 1.00 24.21 H new ATOM 0 HA GLU A 17 5.669 -21.134 -14.806 1.00 73.03 H new ATOM 0 HB2 GLU A 17 6.342 -18.235 -15.426 1.00 62.44 H new ATOM 0 HB3 GLU A 17 4.954 -19.140 -15.997 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.049 -19.276 -13.729 1.00 32.22 H new ATOM 0 HG3 GLU A 17 5.484 -18.513 -13.073 1.00 32.22 H new ATOM 285 N SER A 18 8.581 -20.394 -15.948 1.00 60.23 N ATOM 286 CA SER A 18 9.543 -20.639 -17.016 1.00 50.12 C ATOM 287 C SER A 18 9.800 -22.133 -17.184 1.00 44.52 C ATOM 288 O SER A 18 9.721 -22.666 -18.291 1.00 12.43 O ATOM 289 CB SER A 18 10.858 -19.914 -16.721 1.00 53.43 C ATOM 290 OG SER A 18 11.605 -19.710 -17.909 1.00 62.03 O ATOM 0 H SER A 18 8.991 -20.037 -15.085 1.00 60.23 H new ATOM 0 HA SER A 18 9.123 -20.254 -17.945 1.00 50.12 H new ATOM 0 HB2 SER A 18 10.650 -18.954 -16.249 1.00 53.43 H new ATOM 0 HB3 SER A 18 11.447 -20.496 -16.013 1.00 53.43 H new ATOM 0 HG SER A 18 12.556 -19.864 -17.728 1.00 62.03 H new ATOM 296 N ILE A 19 10.107 -22.803 -16.078 1.00 61.30 N ATOM 297 CA ILE A 19 10.374 -24.236 -16.102 1.00 41.24 C ATOM 298 C ILE A 19 9.293 -24.983 -16.877 1.00 31.14 C ATOM 299 O ILE A 19 8.183 -25.177 -16.382 1.00 72.51 O ATOM 300 CB ILE A 19 10.464 -24.816 -14.679 1.00 11.12 C ATOM 301 CG1 ILE A 19 11.666 -24.224 -13.939 1.00 33.03 C ATOM 302 CG2 ILE A 19 10.563 -26.333 -14.730 1.00 52.32 C ATOM 303 CD1 ILE A 19 11.283 -23.399 -12.730 1.00 70.51 C ATOM 0 H ILE A 19 10.177 -22.376 -15.154 1.00 61.30 H new ATOM 0 HA ILE A 19 11.334 -24.370 -16.601 1.00 41.24 H new ATOM 0 HB ILE A 19 9.558 -24.548 -14.136 1.00 11.12 H new ATOM 0 HG12 ILE A 19 12.323 -25.034 -13.623 1.00 33.03 H new ATOM 0 HG13 ILE A 19 12.236 -23.601 -14.628 1.00 33.03 H new ATOM 0 HG21 ILE A 19 10.626 -26.728 -13.716 1.00 52.32 H new ATOM 0 HG22 ILE A 19 9.680 -26.739 -15.223 1.00 52.32 H new ATOM 0 HG23 ILE A 19 11.454 -26.621 -15.287 1.00 52.32 H new ATOM 0 HD11 ILE A 19 12.184 -23.011 -12.254 1.00 70.51 H new ATOM 0 HD12 ILE A 19 10.650 -22.568 -13.042 1.00 70.51 H new ATOM 0 HD13 ILE A 19 10.739 -24.023 -12.021 1.00 70.51 H new ATOM 315 N ASP A 20 9.627 -25.402 -18.093 1.00 31.11 N ATOM 316 CA ASP A 20 8.687 -26.131 -18.935 1.00 60.31 C ATOM 317 C ASP A 20 8.208 -27.402 -18.240 1.00 52.22 C ATOM 318 O ASP A 20 8.952 -28.059 -17.513 1.00 2.52 O ATOM 319 CB ASP A 20 9.334 -26.480 -20.275 1.00 72.22 C ATOM 320 CG ASP A 20 8.615 -25.844 -21.450 1.00 72.21 C ATOM 321 OD1 ASP A 20 8.719 -24.609 -21.610 1.00 1.44 O ATOM 322 OD2 ASP A 20 7.950 -26.580 -22.207 1.00 54.13 O1- ATOM 0 H ASP A 20 10.542 -25.249 -18.517 1.00 31.11 H new ATOM 0 HA ASP A 20 7.824 -25.489 -19.114 1.00 60.31 H new ATOM 0 HB2 ASP A 20 10.374 -26.153 -20.269 1.00 72.22 H new ATOM 0 HB3 ASP A 20 9.341 -27.563 -20.400 1.00 72.22 H new ATOM 327 N PRO A 21 6.934 -27.757 -18.468 1.00 3.01 N ATOM 328 CA PRO A 21 6.327 -28.952 -17.872 1.00 51.32 C ATOM 329 C PRO A 21 6.895 -30.241 -18.456 1.00 31.01 C ATOM 330 O PRO A 21 6.748 -31.315 -17.870 1.00 73.52 O ATOM 331 CB PRO A 21 4.845 -28.810 -18.226 1.00 40.32 C ATOM 332 CG PRO A 21 4.828 -27.966 -19.454 1.00 41.15 C ATOM 333 CD PRO A 21 5.989 -27.020 -19.323 1.00 41.12 C ATOM 0 HA PRO A 21 6.518 -29.017 -16.801 1.00 51.32 H new ATOM 0 HB2 PRO A 21 4.386 -29.782 -18.407 1.00 40.32 H new ATOM 0 HB3 PRO A 21 4.288 -28.341 -17.415 1.00 40.32 H new ATOM 0 HG2 PRO A 21 4.924 -28.579 -20.350 1.00 41.15 H new ATOM 0 HG3 PRO A 21 3.888 -27.421 -19.540 1.00 41.15 H new ATOM 0 HD2 PRO A 21 6.426 -26.783 -20.293 1.00 41.12 H new ATOM 0 HD3 PRO A 21 5.689 -26.076 -18.869 1.00 41.12 H new ATOM 341 N ALA A 22 7.541 -30.130 -19.610 1.00 74.25 N ATOM 342 CA ALA A 22 8.132 -31.287 -20.271 1.00 71.25 C ATOM 343 C ALA A 22 9.410 -31.728 -19.566 1.00 24.44 C ATOM 344 O ALA A 22 10.002 -32.749 -19.915 1.00 64.13 O ATOM 345 CB ALA A 22 8.415 -30.973 -21.732 1.00 74.40 C ATOM 0 H ALA A 22 7.669 -29.249 -20.108 1.00 74.25 H new ATOM 0 HA ALA A 22 7.417 -32.108 -20.219 1.00 71.25 H new ATOM 0 HB1 ALA A 22 8.856 -31.846 -22.213 1.00 74.40 H new ATOM 0 HB2 ALA A 22 7.484 -30.713 -22.235 1.00 74.40 H new ATOM 0 HB3 ALA A 22 9.108 -30.134 -21.796 1.00 74.40 H new ATOM 351 N ASN A 23 9.831 -30.952 -18.572 1.00 31.42 N ATOM 352 CA ASN A 23 11.039 -31.263 -17.818 1.00 33.21 C ATOM 353 C ASN A 23 11.092 -30.464 -16.519 1.00 71.22 C ATOM 354 O ASN A 23 11.382 -29.268 -16.525 1.00 21.44 O ATOM 355 CB ASN A 23 12.282 -30.969 -18.661 1.00 24.34 C ATOM 356 CG ASN A 23 13.316 -32.073 -18.573 1.00 24.24 C ATOM 357 OD1 ASN A 23 13.658 -32.700 -19.576 1.00 64.52 O ATOM 358 ND2 ASN A 23 13.821 -32.317 -17.369 1.00 44.13 N ATOM 0 H ASN A 23 9.353 -30.103 -18.270 1.00 31.42 H new ATOM 0 HA ASN A 23 11.018 -32.324 -17.570 1.00 33.21 H new ATOM 0 HB2 ASN A 23 11.988 -30.833 -19.702 1.00 24.34 H new ATOM 0 HB3 ASN A 23 12.728 -30.031 -18.331 1.00 24.34 H new ATOM 0 HD21 ASN A 23 14.521 -33.049 -17.248 1.00 44.13 H new ATOM 0 HD22 ASN A 23 13.509 -31.773 -16.565 1.00 44.13 H new ATOM 365 N ARG A 24 10.808 -31.134 -15.407 1.00 31.34 N ATOM 366 CA ARG A 24 10.822 -30.487 -14.101 1.00 3.31 C ATOM 367 C ARG A 24 12.007 -30.969 -13.267 1.00 41.40 C ATOM 368 O ARG A 24 12.806 -31.787 -13.723 1.00 60.52 O ATOM 369 CB ARG A 24 9.515 -30.766 -13.355 1.00 43.24 C ATOM 370 CG ARG A 24 8.272 -30.427 -14.161 1.00 73.04 C ATOM 371 CD ARG A 24 7.974 -28.935 -14.127 1.00 15.52 C ATOM 372 NE ARG A 24 7.572 -28.488 -12.796 1.00 53.32 N ATOM 373 CZ ARG A 24 6.311 -28.467 -12.377 1.00 20.53 C ATOM 374 NH1 ARG A 24 5.336 -28.866 -13.181 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 6.025 -28.047 -11.152 1.00 32.13 N ATOM 0 H ARG A 24 10.565 -32.124 -15.385 1.00 31.34 H new ATOM 0 HA ARG A 24 10.922 -29.413 -14.258 1.00 3.31 H new ATOM 0 HB2 ARG A 24 9.482 -31.820 -13.078 1.00 43.24 H new ATOM 0 HB3 ARG A 24 9.505 -30.192 -12.428 1.00 43.24 H new ATOM 0 HG2 ARG A 24 8.408 -30.748 -15.194 1.00 73.04 H new ATOM 0 HG3 ARG A 24 7.419 -30.978 -13.765 1.00 73.04 H new ATOM 0 HD2 ARG A 24 8.858 -28.381 -14.444 1.00 15.52 H new ATOM 0 HD3 ARG A 24 7.182 -28.707 -14.841 1.00 15.52 H new ATOM 0 HE ARG A 24 8.299 -28.175 -12.153 1.00 53.32 H new ATOM 0 HH11 ARG A 24 5.553 -29.190 -14.124 1.00 42.41 H new ATOM 0 HH12 ARG A 24 4.369 -28.849 -12.857 1.00 42.41 H new ATOM 0 HH21 ARG A 24 6.773 -27.740 -10.531 1.00 32.13 H new ATOM 0 HH22 ARG A 24 5.057 -28.031 -10.831 1.00 32.13 H new ATOM 389 N GLN A 25 12.114 -30.455 -12.047 1.00 23.44 N ATOM 390 CA GLN A 25 13.201 -30.831 -11.152 1.00 3.41 C ATOM 391 C GLN A 25 12.660 -31.467 -9.875 1.00 43.32 C ATOM 392 O GLN A 25 12.655 -32.690 -9.732 1.00 3.03 O ATOM 393 CB GLN A 25 14.052 -29.608 -10.806 1.00 73.40 C ATOM 394 CG GLN A 25 15.455 -29.659 -11.388 1.00 65.05 C ATOM 395 CD GLN A 25 15.476 -29.416 -12.884 1.00 54.13 C ATOM 396 OE1 GLN A 25 14.924 -28.429 -13.371 1.00 72.12 O ATOM 397 NE2 GLN A 25 16.116 -30.316 -13.622 1.00 12.31 N ATOM 0 H GLN A 25 11.461 -29.777 -11.655 1.00 23.44 H new ATOM 0 HA GLN A 25 13.823 -31.564 -11.666 1.00 3.41 H new ATOM 0 HB2 GLN A 25 13.549 -28.712 -11.169 1.00 73.40 H new ATOM 0 HB3 GLN A 25 14.120 -29.518 -9.722 1.00 73.40 H new ATOM 0 HG2 GLN A 25 16.076 -28.912 -10.894 1.00 65.05 H new ATOM 0 HG3 GLN A 25 15.897 -30.632 -11.176 1.00 65.05 H new ATOM 0 HE21 GLN A 25 16.559 -31.119 -13.176 1.00 12.31 H new ATOM 0 HE22 GLN A 25 16.164 -30.204 -14.635 1.00 12.31 H new ATOM 406 N VAL A 26 12.206 -30.628 -8.950 1.00 53.35 N ATOM 407 CA VAL A 26 11.662 -31.109 -7.684 1.00 53.24 C ATOM 408 C VAL A 26 10.434 -30.303 -7.273 1.00 23.30 C ATOM 409 O VAL A 26 10.536 -29.118 -6.957 1.00 23.40 O ATOM 410 CB VAL A 26 12.711 -31.035 -6.559 1.00 62.44 C ATOM 411 CG1 VAL A 26 12.331 -31.961 -5.414 1.00 24.22 C ATOM 412 CG2 VAL A 26 14.093 -31.376 -7.096 1.00 61.33 C ATOM 0 H VAL A 26 12.204 -29.613 -9.052 1.00 53.35 H new ATOM 0 HA VAL A 26 11.376 -32.150 -7.836 1.00 53.24 H new ATOM 0 HB VAL A 26 12.737 -30.015 -6.176 1.00 62.44 H new ATOM 0 HG11 VAL A 26 13.084 -31.896 -4.628 1.00 24.22 H new ATOM 0 HG12 VAL A 26 11.361 -31.665 -5.013 1.00 24.22 H new ATOM 0 HG13 VAL A 26 12.275 -32.987 -5.779 1.00 24.22 H new ATOM 0 HG21 VAL A 26 14.822 -31.319 -6.288 1.00 61.33 H new ATOM 0 HG22 VAL A 26 14.085 -32.386 -7.506 1.00 61.33 H new ATOM 0 HG23 VAL A 26 14.364 -30.668 -7.879 1.00 61.33 H new ATOM 422 N GLU A 27 9.276 -30.955 -7.281 1.00 51.22 N ATOM 423 CA GLU A 27 8.029 -30.299 -6.908 1.00 53.14 C ATOM 424 C GLU A 27 7.590 -30.718 -5.508 1.00 20.43 C ATOM 425 O GLU A 27 7.482 -31.908 -5.209 1.00 21.25 O ATOM 426 CB GLU A 27 6.930 -30.632 -7.920 1.00 64.43 C ATOM 427 CG GLU A 27 7.416 -30.657 -9.359 1.00 1.54 C ATOM 428 CD GLU A 27 7.553 -32.065 -9.904 1.00 23.31 C ATOM 429 OE1 GLU A 27 6.550 -32.603 -10.419 1.00 0.53 O1- ATOM 430 OE2 GLU A 27 8.664 -32.628 -9.817 1.00 13.03 O ATOM 0 H GLU A 27 9.176 -31.936 -7.541 1.00 51.22 H new ATOM 0 HA GLU A 27 8.201 -29.223 -6.908 1.00 53.14 H new ATOM 0 HB2 GLU A 27 6.502 -31.604 -7.673 1.00 64.43 H new ATOM 0 HB3 GLU A 27 6.129 -29.898 -7.828 1.00 64.43 H new ATOM 0 HG2 GLU A 27 6.721 -30.096 -9.983 1.00 1.54 H new ATOM 0 HG3 GLU A 27 8.380 -30.152 -9.422 1.00 1.54 H new ATOM 437 N HIS A 28 7.340 -29.731 -4.653 1.00 1.34 N ATOM 438 CA HIS A 28 6.913 -29.996 -3.283 1.00 23.23 C ATOM 439 C HIS A 28 6.406 -28.722 -2.616 1.00 12.45 C ATOM 440 O HIS A 28 6.574 -27.623 -3.145 1.00 2.54 O ATOM 441 CB HIS A 28 8.066 -30.587 -2.473 1.00 64.15 C ATOM 442 CG HIS A 28 9.402 -30.008 -2.823 1.00 70.02 C ATOM 443 ND1 HIS A 28 9.656 -28.653 -2.837 1.00 64.13 N ATOM 444 CD2 HIS A 28 10.564 -30.610 -3.171 1.00 51.55 C ATOM 445 CE1 HIS A 28 10.914 -28.446 -3.181 1.00 15.35 C ATOM 446 NE2 HIS A 28 11.487 -29.617 -3.389 1.00 63.45 N ATOM 0 H HIS A 28 7.426 -28.741 -4.884 1.00 1.34 H new ATOM 0 HA HIS A 28 6.096 -30.717 -3.316 1.00 23.23 H new ATOM 0 HB2 HIS A 28 7.875 -30.424 -1.412 1.00 64.15 H new ATOM 0 HB3 HIS A 28 8.094 -31.665 -2.630 1.00 64.15 H new ATOM 0 HD1 HIS A 28 8.978 -27.924 -2.616 1.00 64.13 H new ATOM 0 HD2 HIS A 28 10.733 -31.673 -3.260 1.00 51.55 H new ATOM 0 HE1 HIS A 28 11.393 -27.483 -3.276 1.00 15.35 H new ATOM 454 N VAL A 29 5.785 -28.876 -1.450 1.00 54.23 N ATOM 455 CA VAL A 29 5.255 -27.738 -0.710 1.00 31.14 C ATOM 456 C VAL A 29 6.320 -27.124 0.192 1.00 41.44 C ATOM 457 O VAL A 29 6.941 -27.818 0.997 1.00 25.11 O ATOM 458 CB VAL A 29 4.041 -28.142 0.148 1.00 21.50 C ATOM 459 CG1 VAL A 29 3.603 -26.985 1.032 1.00 32.45 C ATOM 460 CG2 VAL A 29 2.897 -28.612 -0.737 1.00 5.11 C ATOM 0 H VAL A 29 5.637 -29.778 -0.998 1.00 54.23 H new ATOM 0 HA VAL A 29 4.939 -27.000 -1.448 1.00 31.14 H new ATOM 0 HB VAL A 29 4.333 -28.970 0.794 1.00 21.50 H new ATOM 0 HG11 VAL A 29 2.744 -27.289 1.631 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.423 -26.701 1.692 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.327 -26.135 0.408 1.00 32.45 H new ATOM 0 HG21 VAL A 29 2.048 -28.894 -0.115 1.00 5.11 H new ATOM 0 HG22 VAL A 29 2.603 -27.806 -1.410 1.00 5.11 H new ATOM 0 HG23 VAL A 29 3.220 -29.473 -1.322 1.00 5.11 H new ATOM 470 N TYR A 30 6.525 -25.820 0.052 1.00 54.15 N ATOM 471 CA TYR A 30 7.517 -25.112 0.853 1.00 42.42 C ATOM 472 C TYR A 30 6.846 -24.131 1.810 1.00 53.31 C ATOM 473 O TYR A 30 5.635 -23.920 1.752 1.00 71.04 O ATOM 474 CB TYR A 30 8.497 -24.366 -0.053 1.00 40.44 C ATOM 475 CG TYR A 30 9.845 -25.042 -0.173 1.00 1.42 C ATOM 476 CD1 TYR A 30 9.948 -26.426 -0.222 1.00 23.33 C ATOM 477 CD2 TYR A 30 11.016 -24.296 -0.238 1.00 63.54 C ATOM 478 CE1 TYR A 30 11.177 -27.048 -0.331 1.00 42.43 C ATOM 479 CE2 TYR A 30 12.249 -24.909 -0.348 1.00 50.54 C ATOM 480 CZ TYR A 30 12.324 -26.285 -0.394 1.00 32.12 C ATOM 481 OH TYR A 30 13.550 -26.900 -0.502 1.00 33.15 O ATOM 0 H TYR A 30 6.018 -25.231 -0.609 1.00 54.15 H new ATOM 0 HA TYR A 30 8.064 -25.849 1.441 1.00 42.42 H new ATOM 0 HB2 TYR A 30 8.059 -24.269 -1.046 1.00 40.44 H new ATOM 0 HB3 TYR A 30 8.639 -23.356 0.333 1.00 40.44 H new ATOM 0 HD1 TYR A 30 9.052 -27.027 -0.174 1.00 23.33 H new ATOM 0 HD2 TYR A 30 10.961 -23.218 -0.202 1.00 63.54 H new ATOM 0 HE1 TYR A 30 11.239 -28.126 -0.367 1.00 42.43 H new ATOM 0 HE2 TYR A 30 13.149 -24.314 -0.398 1.00 50.54 H new ATOM 0 HH TYR A 30 13.907 -26.761 -1.404 1.00 33.15 H new ATOM 491 N LYS A 31 7.642 -23.534 2.689 1.00 21.53 N ATOM 492 CA LYS A 31 7.129 -22.574 3.660 1.00 33.30 C ATOM 493 C LYS A 31 8.070 -21.383 3.796 1.00 72.40 C ATOM 494 O LYS A 31 9.285 -21.549 3.915 1.00 42.23 O ATOM 495 CB LYS A 31 6.937 -23.246 5.020 1.00 30.01 C ATOM 496 CG LYS A 31 6.853 -22.265 6.177 1.00 12.24 C ATOM 497 CD LYS A 31 6.495 -22.964 7.477 1.00 72.33 C ATOM 498 CE LYS A 31 5.095 -23.558 7.425 1.00 1.42 C ATOM 499 NZ LYS A 31 4.678 -24.113 8.741 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.647 -23.698 2.750 1.00 21.53 H new ATOM 0 HA LYS A 31 6.165 -22.213 3.302 1.00 33.30 H new ATOM 0 HB2 LYS A 31 6.026 -23.844 4.995 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.765 -23.933 5.196 1.00 30.01 H new ATOM 0 HG2 LYS A 31 7.808 -21.752 6.290 1.00 12.24 H new ATOM 0 HG3 LYS A 31 6.106 -21.503 5.955 1.00 12.24 H new ATOM 0 HD2 LYS A 31 7.219 -23.754 7.678 1.00 72.33 H new ATOM 0 HD3 LYS A 31 6.560 -22.255 8.302 1.00 72.33 H new ATOM 0 HE2 LYS A 31 4.386 -22.790 7.114 1.00 1.42 H new ATOM 0 HE3 LYS A 31 5.063 -24.346 6.672 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 3.719 -24.508 8.663 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 5.339 -24.863 9.027 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 4.684 -23.356 9.454 1.00 74.42 H new ATOM 513 N PHE A 32 7.504 -20.181 3.782 1.00 21.34 N ATOM 514 CA PHE A 32 8.293 -18.961 3.905 1.00 31.43 C ATOM 515 C PHE A 32 7.774 -18.090 5.045 1.00 73.13 C ATOM 516 O PHE A 32 6.583 -17.785 5.114 1.00 30.25 O ATOM 517 CB PHE A 32 8.265 -18.175 2.593 1.00 2.44 C ATOM 518 CG PHE A 32 9.600 -18.105 1.908 1.00 52.35 C ATOM 519 CD1 PHE A 32 10.738 -17.751 2.613 1.00 34.32 C ATOM 520 CD2 PHE A 32 9.715 -18.393 0.557 1.00 25.20 C ATOM 521 CE1 PHE A 32 11.967 -17.685 1.984 1.00 31.04 C ATOM 522 CE2 PHE A 32 10.942 -18.328 -0.077 1.00 15.23 C ATOM 523 CZ PHE A 32 12.069 -17.975 0.638 1.00 34.24 C ATOM 0 H PHE A 32 6.500 -20.026 3.687 1.00 21.34 H new ATOM 0 HA PHE A 32 9.322 -19.245 4.128 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.543 -18.635 1.918 1.00 2.44 H new ATOM 0 HB3 PHE A 32 7.914 -17.162 2.793 1.00 2.44 H new ATOM 0 HD1 PHE A 32 10.664 -17.524 3.666 1.00 34.32 H new ATOM 0 HD2 PHE A 32 8.837 -18.671 -0.007 1.00 25.20 H new ATOM 0 HE1 PHE A 32 12.847 -17.407 2.545 1.00 31.04 H new ATOM 0 HE2 PHE A 32 11.019 -18.553 -1.130 1.00 15.23 H new ATOM 0 HZ PHE A 32 13.029 -17.926 0.145 1.00 34.24 H new ATOM 533 N ARG A 33 8.675 -17.693 5.937 1.00 2.52 N ATOM 534 CA ARG A 33 8.309 -16.859 7.074 1.00 14.43 C ATOM 535 C ARG A 33 8.938 -15.473 6.959 1.00 75.14 C ATOM 536 O ARG A 33 10.116 -15.343 6.624 1.00 61.42 O ATOM 537 CB ARG A 33 8.745 -17.521 8.382 1.00 2.14 C ATOM 538 CG ARG A 33 8.729 -16.581 9.577 1.00 20.25 C ATOM 539 CD ARG A 33 8.520 -17.338 10.879 1.00 10.22 C ATOM 540 NE ARG A 33 9.496 -18.410 11.051 1.00 11.44 N ATOM 541 CZ ARG A 33 9.746 -18.995 12.218 1.00 10.32 C ATOM 542 NH1 ARG A 33 9.096 -18.612 13.308 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 10.650 -19.964 12.295 1.00 25.32 N ATOM 0 H ARG A 33 9.665 -17.936 5.894 1.00 2.52 H new ATOM 0 HA ARG A 33 7.225 -16.748 7.075 1.00 14.43 H new ATOM 0 HB2 ARG A 33 8.089 -18.367 8.587 1.00 2.14 H new ATOM 0 HB3 ARG A 33 9.751 -17.921 8.259 1.00 2.14 H new ATOM 0 HG2 ARG A 33 9.669 -16.031 9.621 1.00 20.25 H new ATOM 0 HG3 ARG A 33 7.935 -15.845 9.452 1.00 20.25 H new ATOM 0 HD2 ARG A 33 8.592 -16.645 11.717 1.00 10.22 H new ATOM 0 HD3 ARG A 33 7.514 -17.757 10.897 1.00 10.22 H new ATOM 0 HE ARG A 33 10.014 -18.727 10.231 1.00 11.44 H new ATOM 0 HH11 ARG A 33 8.402 -17.867 13.252 1.00 23.32 H new ATOM 0 HH12 ARG A 33 9.290 -19.063 14.202 1.00 23.32 H new ATOM 0 HH21 ARG A 33 11.153 -20.260 11.458 1.00 25.32 H new ATOM 0 HH22 ARG A 33 10.842 -20.413 13.191 1.00 25.32 H new ATOM 557 N ILE A 34 8.146 -14.443 7.236 1.00 62.22 N ATOM 558 CA ILE A 34 8.626 -13.070 7.163 1.00 24.14 C ATOM 559 C ILE A 34 8.639 -12.418 8.542 1.00 22.22 C ATOM 560 O ILE A 34 7.592 -12.052 9.078 1.00 15.22 O ATOM 561 CB ILE A 34 7.760 -12.220 6.214 1.00 45.40 C ATOM 562 CG1 ILE A 34 7.546 -12.955 4.890 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.409 -10.865 5.975 1.00 73.20 C ATOM 564 CD1 ILE A 34 8.833 -13.315 4.183 1.00 0.34 C ATOM 0 H ILE A 34 7.169 -14.534 7.513 1.00 62.22 H new ATOM 0 HA ILE A 34 9.643 -13.112 6.774 1.00 24.14 H new ATOM 0 HB ILE A 34 6.788 -12.058 6.680 1.00 45.40 H new ATOM 0 HG12 ILE A 34 6.977 -13.866 5.077 1.00 40.21 H new ATOM 0 HG13 ILE A 34 6.942 -12.331 4.231 1.00 40.21 H new ATOM 0 HG21 ILE A 34 7.785 -10.276 5.303 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.515 -10.340 6.924 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.392 -11.007 5.527 1.00 73.20 H new ATOM 0 HD11 ILE A 34 8.604 -13.834 3.252 1.00 0.34 H new ATOM 0 HD12 ILE A 34 9.394 -12.407 3.964 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.430 -13.965 4.823 1.00 0.34 H new ATOM 576 N THR A 35 9.832 -12.273 9.111 1.00 73.35 N ATOM 577 CA THR A 35 9.981 -11.664 10.427 1.00 10.14 C ATOM 578 C THR A 35 10.430 -10.211 10.314 1.00 21.43 C ATOM 579 O THR A 35 11.287 -9.881 9.494 1.00 61.13 O ATOM 580 CB THR A 35 10.996 -12.437 11.290 1.00 42.42 C ATOM 581 OG1 THR A 35 12.139 -12.792 10.504 1.00 61.24 O ATOM 582 CG2 THR A 35 10.365 -13.691 11.874 1.00 21.42 C ATOM 0 H THR A 35 10.708 -12.569 8.681 1.00 73.35 H new ATOM 0 HA THR A 35 9.003 -11.702 10.906 1.00 10.14 H new ATOM 0 HB THR A 35 11.308 -11.791 12.111 1.00 42.42 H new ATOM 0 HG1 THR A 35 12.780 -13.282 11.061 1.00 61.24 H new ATOM 0 HG21 THR A 35 11.101 -14.220 12.480 1.00 21.42 H new ATOM 0 HG22 THR A 35 9.514 -13.414 12.497 1.00 21.42 H new ATOM 0 HG23 THR A 35 10.027 -14.339 11.065 1.00 21.42 H new ATOM 590 N GLN A 36 9.846 -9.350 11.139 1.00 63.41 N ATOM 591 CA GLN A 36 10.187 -7.932 11.130 1.00 14.20 C ATOM 592 C GLN A 36 10.860 -7.526 12.437 1.00 45.14 C ATOM 593 O GLN A 36 10.191 -7.272 13.438 1.00 5.11 O ATOM 594 CB GLN A 36 8.934 -7.085 10.903 1.00 55.11 C ATOM 595 CG GLN A 36 7.790 -7.428 11.844 1.00 62.44 C ATOM 596 CD GLN A 36 7.312 -6.231 12.641 1.00 40.34 C ATOM 597 OE1 GLN A 36 6.870 -5.230 12.077 1.00 43.51 O ATOM 598 NE2 GLN A 36 7.398 -6.327 13.963 1.00 20.34 N ATOM 0 H GLN A 36 9.134 -9.609 11.822 1.00 63.41 H new ATOM 0 HA GLN A 36 10.887 -7.758 10.313 1.00 14.20 H new ATOM 0 HB2 GLN A 36 9.190 -6.032 11.024 1.00 55.11 H new ATOM 0 HB3 GLN A 36 8.599 -7.215 9.874 1.00 55.11 H new ATOM 0 HG2 GLN A 36 6.958 -7.831 11.267 1.00 62.44 H new ATOM 0 HG3 GLN A 36 8.111 -8.212 12.530 1.00 62.44 H new ATOM 0 HE21 GLN A 36 7.771 -7.175 14.390 1.00 20.34 H new ATOM 0 HE22 GLN A 36 7.091 -5.553 14.552 1.00 20.34 H new ATOM 607 N GLY A 37 12.188 -7.466 12.420 1.00 64.45 N ATOM 608 CA GLY A 37 12.928 -7.090 13.610 1.00 34.24 C ATOM 609 C GLY A 37 13.406 -8.293 14.400 1.00 24.32 C ATOM 610 O GLY A 37 14.608 -8.488 14.581 1.00 10.20 O ATOM 0 H GLY A 37 12.764 -7.671 11.604 1.00 64.45 H new ATOM 0 HA2 GLY A 37 13.787 -6.483 13.323 1.00 34.24 H new ATOM 0 HA3 GLY A 37 12.297 -6.469 14.246 1.00 34.24 H new ATOM 614 N GLY A 38 12.463 -9.101 14.873 1.00 74.12 N ATOM 615 CA GLY A 38 12.814 -10.280 15.644 1.00 13.31 C ATOM 616 C GLY A 38 11.634 -11.207 15.854 1.00 0.22 C ATOM 617 O GLY A 38 11.745 -12.217 16.549 1.00 3.34 O ATOM 0 H GLY A 38 11.462 -8.961 14.736 1.00 74.12 H new ATOM 0 HA2 GLY A 38 13.611 -10.821 15.133 1.00 13.31 H new ATOM 0 HA3 GLY A 38 13.208 -9.973 16.613 1.00 13.31 H new ATOM 621 N LYS A 39 10.500 -10.865 15.253 1.00 34.44 N ATOM 622 CA LYS A 39 9.293 -11.674 15.377 1.00 44.41 C ATOM 623 C LYS A 39 8.606 -11.838 14.025 1.00 41.22 C ATOM 624 O LYS A 39 8.775 -11.012 13.127 1.00 21.13 O ATOM 625 CB LYS A 39 8.327 -11.036 16.377 1.00 12.35 C ATOM 626 CG LYS A 39 8.266 -11.760 17.711 1.00 61.01 C ATOM 627 CD LYS A 39 7.202 -11.167 18.619 1.00 62.52 C ATOM 628 CE LYS A 39 6.664 -12.201 19.597 1.00 2.21 C ATOM 629 NZ LYS A 39 6.960 -11.835 21.010 1.00 31.32 N1+ ATOM 0 H LYS A 39 10.391 -10.032 14.674 1.00 34.44 H new ATOM 0 HA LYS A 39 9.583 -12.660 15.739 1.00 44.41 H new ATOM 0 HB2 LYS A 39 8.625 -10.002 16.548 1.00 12.35 H new ATOM 0 HB3 LYS A 39 7.329 -11.012 15.940 1.00 12.35 H new ATOM 0 HG2 LYS A 39 8.055 -12.816 17.543 1.00 61.01 H new ATOM 0 HG3 LYS A 39 9.238 -11.703 18.202 1.00 61.01 H new ATOM 0 HD2 LYS A 39 7.621 -10.326 19.171 1.00 62.52 H new ATOM 0 HD3 LYS A 39 6.384 -10.776 18.015 1.00 62.52 H new ATOM 0 HE2 LYS A 39 5.586 -12.299 19.465 1.00 2.21 H new ATOM 0 HE3 LYS A 39 7.102 -13.174 19.374 1.00 2.21 H new ATOM 0 HZ1 LYS A 39 6.577 -12.564 21.645 1.00 31.32 H new ATOM 0 HZ2 LYS A 39 7.989 -11.766 21.142 1.00 31.32 H new ATOM 0 HZ3 LYS A 39 6.520 -10.919 21.231 1.00 31.32 H new ATOM 643 N VAL A 40 7.829 -12.908 13.887 1.00 13.33 N ATOM 644 CA VAL A 40 7.114 -13.178 12.646 1.00 41.44 C ATOM 645 C VAL A 40 6.051 -12.118 12.381 1.00 63.31 C ATOM 646 O VAL A 40 5.446 -11.585 13.312 1.00 63.13 O ATOM 647 CB VAL A 40 6.445 -14.564 12.673 1.00 45.24 C ATOM 648 CG1 VAL A 40 5.387 -14.625 13.765 1.00 55.31 C ATOM 649 CG2 VAL A 40 5.842 -14.893 11.316 1.00 51.40 C ATOM 0 H VAL A 40 7.679 -13.602 14.620 1.00 13.33 H new ATOM 0 HA VAL A 40 7.853 -13.155 11.845 1.00 41.44 H new ATOM 0 HB VAL A 40 7.207 -15.311 12.896 1.00 45.24 H new ATOM 0 HG11 VAL A 40 4.925 -15.612 13.769 1.00 55.31 H new ATOM 0 HG12 VAL A 40 5.852 -14.438 14.733 1.00 55.31 H new ATOM 0 HG13 VAL A 40 4.625 -13.869 13.576 1.00 55.31 H new ATOM 0 HG21 VAL A 40 5.374 -15.877 11.355 1.00 51.40 H new ATOM 0 HG22 VAL A 40 5.093 -14.144 11.060 1.00 51.40 H new ATOM 0 HG23 VAL A 40 6.627 -14.894 10.560 1.00 51.40 H new ATOM 659 N VAL A 41 5.826 -11.816 11.106 1.00 34.35 N ATOM 660 CA VAL A 41 4.834 -10.821 10.719 1.00 44.34 C ATOM 661 C VAL A 41 3.765 -11.432 9.819 1.00 12.15 C ATOM 662 O VAL A 41 2.664 -10.896 9.693 1.00 4.11 O ATOM 663 CB VAL A 41 5.487 -9.632 9.988 1.00 3.41 C ATOM 664 CG1 VAL A 41 5.643 -9.937 8.506 1.00 40.14 C ATOM 665 CG2 VAL A 41 4.672 -8.365 10.198 1.00 22.42 C ATOM 0 H VAL A 41 6.318 -12.247 10.323 1.00 34.35 H new ATOM 0 HA VAL A 41 4.370 -10.462 11.638 1.00 44.34 H new ATOM 0 HB VAL A 41 6.480 -9.471 10.407 1.00 3.41 H new ATOM 0 HG11 VAL A 41 6.106 -9.086 8.006 1.00 40.14 H new ATOM 0 HG12 VAL A 41 6.272 -10.818 8.380 1.00 40.14 H new ATOM 0 HG13 VAL A 41 4.663 -10.126 8.068 1.00 40.14 H new ATOM 0 HG21 VAL A 41 5.148 -7.535 9.675 1.00 22.42 H new ATOM 0 HG22 VAL A 41 3.665 -8.511 9.807 1.00 22.42 H new ATOM 0 HG23 VAL A 41 4.618 -8.139 11.263 1.00 22.42 H new ATOM 675 N LYS A 42 4.097 -12.556 9.195 1.00 42.43 N ATOM 676 CA LYS A 42 3.167 -13.243 8.307 1.00 33.55 C ATOM 677 C LYS A 42 3.743 -14.574 7.839 1.00 43.41 C ATOM 678 O LYS A 42 4.940 -14.825 7.975 1.00 1.03 O ATOM 679 CB LYS A 42 2.839 -12.363 7.099 1.00 52.12 C ATOM 680 CG LYS A 42 1.355 -12.086 6.932 1.00 64.32 C ATOM 681 CD LYS A 42 1.077 -10.599 6.796 1.00 52.31 C ATOM 682 CE LYS A 42 0.444 -10.033 8.058 1.00 23.22 C ATOM 683 NZ LYS A 42 -0.673 -9.098 7.746 1.00 13.02 N1+ ATOM 0 H LYS A 42 5.005 -13.012 9.288 1.00 42.43 H new ATOM 0 HA LYS A 42 2.251 -13.441 8.864 1.00 33.55 H new ATOM 0 HB2 LYS A 42 3.368 -11.415 7.197 1.00 52.12 H new ATOM 0 HB3 LYS A 42 3.214 -12.846 6.196 1.00 52.12 H new ATOM 0 HG2 LYS A 42 0.983 -12.609 6.051 1.00 64.32 H new ATOM 0 HG3 LYS A 42 0.811 -12.482 7.790 1.00 64.32 H new ATOM 0 HD2 LYS A 42 2.007 -10.071 6.586 1.00 52.31 H new ATOM 0 HD3 LYS A 42 0.415 -10.428 5.947 1.00 52.31 H new ATOM 0 HE2 LYS A 42 0.072 -10.850 8.676 1.00 23.22 H new ATOM 0 HE3 LYS A 42 1.202 -9.511 8.642 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -1.078 -8.734 8.632 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -0.313 -8.305 7.178 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -1.408 -9.602 7.210 1.00 13.02 H new ATOM 697 N ASN A 43 2.884 -15.424 7.284 1.00 34.54 N ATOM 698 CA ASN A 43 3.310 -16.730 6.794 1.00 55.25 C ATOM 699 C ASN A 43 3.211 -16.799 5.273 1.00 40.53 C ATOM 700 O ASN A 43 2.381 -16.124 4.664 1.00 31.40 O ATOM 701 CB ASN A 43 2.459 -17.836 7.423 1.00 53.41 C ATOM 702 CG ASN A 43 1.029 -17.396 7.669 1.00 44.33 C ATOM 703 OD1 ASN A 43 0.326 -16.987 6.745 1.00 24.42 O ATOM 704 ND2 ASN A 43 0.593 -17.476 8.920 1.00 72.11 N ATOM 0 H ASN A 43 1.890 -15.232 7.163 1.00 34.54 H new ATOM 0 HA ASN A 43 4.352 -16.876 7.079 1.00 55.25 H new ATOM 0 HB2 ASN A 43 2.461 -18.708 6.769 1.00 53.41 H new ATOM 0 HB3 ASN A 43 2.909 -18.144 8.367 1.00 53.41 H new ATOM 0 HD21 ASN A 43 -0.360 -17.192 9.147 1.00 72.11 H new ATOM 0 HD22 ASN A 43 1.211 -17.821 9.654 1.00 72.11 H new ATOM 711 N TRP A 44 4.061 -17.620 4.667 1.00 22.12 N ATOM 712 CA TRP A 44 4.069 -17.778 3.218 1.00 23.21 C ATOM 713 C TRP A 44 4.278 -19.238 2.830 1.00 15.33 C ATOM 714 O TRP A 44 4.810 -20.027 3.611 1.00 44.21 O ATOM 715 CB TRP A 44 5.164 -16.910 2.596 1.00 45.14 C ATOM 716 CG TRP A 44 4.634 -15.682 1.916 1.00 71.55 C ATOM 717 CD1 TRP A 44 4.223 -15.576 0.619 1.00 73.33 C ATOM 718 CD2 TRP A 44 4.462 -14.388 2.503 1.00 22.02 C ATOM 719 NE1 TRP A 44 3.806 -14.292 0.362 1.00 52.22 N ATOM 720 CE2 TRP A 44 3.941 -13.543 1.501 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.694 -13.858 3.775 1.00 55.22 C ATOM 722 CZ2 TRP A 44 3.652 -12.202 1.735 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.407 -12.526 4.005 1.00 62.30 C ATOM 724 CH2 TRP A 44 3.890 -11.710 2.990 1.00 1.02 C ATOM 0 H TRP A 44 4.753 -18.186 5.157 1.00 22.12 H new ATOM 0 HA TRP A 44 3.100 -17.456 2.837 1.00 23.21 H new ATOM 0 HB2 TRP A 44 5.867 -16.611 3.374 1.00 45.14 H new ATOM 0 HB3 TRP A 44 5.722 -17.505 1.873 1.00 45.14 H new ATOM 0 HD1 TRP A 44 4.225 -16.382 -0.100 1.00 73.33 H new ATOM 0 HE1 TRP A 44 3.453 -13.952 -0.532 1.00 52.22 H new ATOM 0 HE3 TRP A 44 5.091 -14.479 4.565 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 3.254 -11.572 0.954 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.584 -12.107 4.984 1.00 62.30 H new ATOM 0 HH2 TRP A 44 3.675 -10.673 3.202 1.00 1.02 H new ATOM 735 N VAL A 45 3.857 -19.591 1.619 1.00 5.25 N ATOM 736 CA VAL A 45 4.000 -20.956 1.129 1.00 60.54 C ATOM 737 C VAL A 45 4.271 -20.975 -0.372 1.00 5.42 C ATOM 738 O VAL A 45 3.667 -20.218 -1.131 1.00 33.13 O ATOM 739 CB VAL A 45 2.741 -21.794 1.423 1.00 52.33 C ATOM 740 CG1 VAL A 45 1.485 -21.004 1.086 1.00 0.31 C ATOM 741 CG2 VAL A 45 2.780 -23.103 0.650 1.00 33.43 C ATOM 0 H VAL A 45 3.414 -18.950 0.960 1.00 5.25 H new ATOM 0 HA VAL A 45 4.849 -21.394 1.655 1.00 60.54 H new ATOM 0 HB VAL A 45 2.721 -22.028 2.487 1.00 52.33 H new ATOM 0 HG11 VAL A 45 0.605 -21.611 1.300 1.00 0.31 H new ATOM 0 HG12 VAL A 45 1.454 -20.096 1.688 1.00 0.31 H new ATOM 0 HG13 VAL A 45 1.495 -20.739 0.029 1.00 0.31 H new ATOM 0 HG21 VAL A 45 1.883 -23.682 0.870 1.00 33.43 H new ATOM 0 HG22 VAL A 45 2.824 -22.893 -0.419 1.00 33.43 H new ATOM 0 HG23 VAL A 45 3.661 -23.673 0.944 1.00 33.43 H new ATOM 751 N MET A 46 5.183 -21.845 -0.792 1.00 62.23 N ATOM 752 CA MET A 46 5.532 -21.964 -2.203 1.00 35.14 C ATOM 753 C MET A 46 4.805 -23.140 -2.846 1.00 72.04 C ATOM 754 O MET A 46 5.021 -24.294 -2.474 1.00 51.41 O ATOM 755 CB MET A 46 7.044 -22.134 -2.363 1.00 33.01 C ATOM 756 CG MET A 46 7.653 -21.212 -3.407 1.00 43.13 C ATOM 757 SD MET A 46 8.535 -19.821 -2.675 1.00 65.24 S ATOM 758 CE MET A 46 10.179 -20.511 -2.509 1.00 25.52 C ATOM 0 H MET A 46 5.694 -22.478 -0.176 1.00 62.23 H new ATOM 0 HA MET A 46 5.221 -21.049 -2.707 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.526 -21.950 -1.403 1.00 33.01 H new ATOM 0 HB3 MET A 46 7.258 -23.168 -2.634 1.00 33.01 H new ATOM 0 HG2 MET A 46 8.338 -21.782 -4.034 1.00 43.13 H new ATOM 0 HG3 MET A 46 6.864 -20.835 -4.058 1.00 43.13 H new ATOM 0 HE1 MET A 46 10.919 -19.759 -2.784 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.342 -20.819 -1.476 1.00 25.52 H new ATOM 0 HE3 MET A 46 10.279 -21.375 -3.165 1.00 25.52 H new ATOM 768 N ASP A 47 3.943 -22.841 -3.812 1.00 71.12 N ATOM 769 CA ASP A 47 3.184 -23.873 -4.507 1.00 32.40 C ATOM 770 C ASP A 47 3.918 -24.335 -5.762 1.00 53.15 C ATOM 771 O ASP A 47 3.686 -23.817 -6.855 1.00 2.25 O ATOM 772 CB ASP A 47 1.794 -23.354 -4.876 1.00 13.44 C ATOM 773 CG ASP A 47 0.752 -24.455 -4.899 1.00 55.42 C ATOM 774 OD1 ASP A 47 1.123 -25.627 -4.683 1.00 11.32 O1- ATOM 775 OD2 ASP A 47 -0.435 -24.144 -5.134 1.00 72.40 O ATOM 0 H ASP A 47 3.753 -21.891 -4.131 1.00 71.12 H new ATOM 0 HA ASP A 47 3.078 -24.725 -3.835 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.494 -22.588 -4.161 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.836 -22.877 -5.855 1.00 13.44 H new ATOM 780 N LEU A 48 4.805 -25.310 -5.599 1.00 3.45 N ATOM 781 CA LEU A 48 5.575 -25.841 -6.718 1.00 34.13 C ATOM 782 C LEU A 48 4.693 -26.684 -7.634 1.00 74.54 C ATOM 783 O LEU A 48 5.128 -27.126 -8.697 1.00 65.54 O ATOM 784 CB LEU A 48 6.746 -26.680 -6.205 1.00 41.41 C ATOM 785 CG LEU A 48 7.982 -25.902 -5.751 1.00 71.10 C ATOM 786 CD1 LEU A 48 8.886 -25.598 -6.935 1.00 72.14 C ATOM 787 CD2 LEU A 48 7.573 -24.616 -5.046 1.00 24.33 C ATOM 0 H LEU A 48 5.009 -25.749 -4.701 1.00 3.45 H new ATOM 0 HA LEU A 48 5.964 -24.999 -7.292 1.00 34.13 H new ATOM 0 HB2 LEU A 48 6.395 -27.285 -5.369 1.00 41.41 H new ATOM 0 HB3 LEU A 48 7.045 -27.370 -6.994 1.00 41.41 H new ATOM 0 HG LEU A 48 8.538 -26.519 -5.045 1.00 71.10 H new ATOM 0 HD11 LEU A 48 9.760 -25.044 -6.593 1.00 72.14 H new ATOM 0 HD12 LEU A 48 9.206 -26.532 -7.397 1.00 72.14 H new ATOM 0 HD13 LEU A 48 8.341 -25.000 -7.665 1.00 72.14 H new ATOM 0 HD21 LEU A 48 8.465 -24.075 -4.730 1.00 24.33 H new ATOM 0 HD22 LEU A 48 6.995 -23.994 -5.730 1.00 24.33 H new ATOM 0 HD23 LEU A 48 6.966 -24.857 -4.173 1.00 24.33 H new ATOM 799 N LYS A 49 3.451 -26.901 -7.215 1.00 53.41 N ATOM 800 CA LYS A 49 2.506 -27.687 -7.998 1.00 44.45 C ATOM 801 C LYS A 49 1.825 -26.824 -9.056 1.00 13.33 C ATOM 802 O LYS A 49 1.841 -27.153 -10.242 1.00 1.23 O ATOM 803 CB LYS A 49 1.452 -28.315 -7.083 1.00 43.22 C ATOM 804 CG LYS A 49 1.026 -29.709 -7.512 1.00 30.32 C ATOM 805 CD LYS A 49 -0.143 -30.215 -6.684 1.00 53.45 C ATOM 806 CE LYS A 49 0.123 -31.609 -6.137 1.00 64.21 C ATOM 807 NZ LYS A 49 -0.471 -31.797 -4.786 1.00 62.40 N1+ ATOM 0 H LYS A 49 3.076 -26.543 -6.337 1.00 53.41 H new ATOM 0 HA LYS A 49 3.061 -28.479 -8.501 1.00 44.45 H new ATOM 0 HB2 LYS A 49 1.846 -28.361 -6.068 1.00 43.22 H new ATOM 0 HB3 LYS A 49 0.575 -27.668 -7.056 1.00 43.22 H new ATOM 0 HG2 LYS A 49 0.748 -29.697 -8.566 1.00 30.32 H new ATOM 0 HG3 LYS A 49 1.868 -30.394 -7.412 1.00 30.32 H new ATOM 0 HD2 LYS A 49 -0.329 -29.528 -5.858 1.00 53.45 H new ATOM 0 HD3 LYS A 49 -1.045 -30.229 -7.296 1.00 53.45 H new ATOM 0 HE2 LYS A 49 -0.288 -32.352 -6.821 1.00 64.21 H new ATOM 0 HE3 LYS A 49 1.198 -31.781 -6.088 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 -0.268 -32.759 -4.448 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 -0.061 -31.105 -4.127 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -1.500 -31.658 -4.837 1.00 62.40 H new ATOM 821 N ASN A 50 1.230 -25.719 -8.619 1.00 2.35 N ATOM 822 CA ASN A 50 0.545 -24.809 -9.529 1.00 41.40 C ATOM 823 C ASN A 50 1.531 -23.837 -10.171 1.00 40.41 C ATOM 824 O ASN A 50 1.178 -23.089 -11.082 1.00 2.41 O ATOM 825 CB ASN A 50 -0.543 -24.033 -8.785 1.00 14.33 C ATOM 826 CG ASN A 50 -1.817 -24.837 -8.619 1.00 4.31 C ATOM 827 OD1 ASN A 50 -1.789 -25.978 -8.155 1.00 4.24 O ATOM 828 ND2 ASN A 50 -2.943 -24.246 -8.999 1.00 4.23 N ATOM 0 H ASN A 50 1.208 -25.432 -7.640 1.00 2.35 H new ATOM 0 HA ASN A 50 0.083 -25.403 -10.317 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -0.170 -23.742 -7.803 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -0.765 -23.114 -9.327 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -3.832 -24.738 -8.912 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -2.919 -23.299 -9.378 1.00 4.23 H new ATOM 835 N VAL A 51 2.770 -23.854 -9.688 1.00 64.11 N ATOM 836 CA VAL A 51 3.808 -22.976 -10.215 1.00 54.52 C ATOM 837 C VAL A 51 3.526 -21.520 -9.861 1.00 42.10 C ATOM 838 O VAL A 51 3.715 -20.623 -10.684 1.00 10.33 O ATOM 839 CB VAL A 51 3.931 -23.108 -11.744 1.00 71.44 C ATOM 840 CG1 VAL A 51 5.266 -22.557 -12.221 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.761 -24.558 -12.169 1.00 50.43 C ATOM 0 H VAL A 51 3.079 -24.466 -8.933 1.00 64.11 H new ATOM 0 HA VAL A 51 4.748 -23.283 -9.756 1.00 54.52 H new ATOM 0 HB VAL A 51 3.137 -22.523 -12.207 1.00 71.44 H new ATOM 0 HG11 VAL A 51 5.335 -22.659 -13.304 1.00 71.12 H new ATOM 0 HG12 VAL A 51 5.343 -21.504 -11.950 1.00 71.12 H new ATOM 0 HG13 VAL A 51 6.078 -23.113 -11.752 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.851 -24.632 -13.253 1.00 50.43 H new ATOM 0 HG22 VAL A 51 4.532 -25.168 -11.698 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.778 -24.915 -11.861 1.00 50.43 H new ATOM 851 N LYS A 52 3.075 -21.291 -8.633 1.00 54.43 N ATOM 852 CA LYS A 52 2.769 -19.943 -8.168 1.00 32.42 C ATOM 853 C LYS A 52 3.006 -19.819 -6.667 1.00 50.21 C ATOM 854 O LYS A 52 2.985 -20.812 -5.939 1.00 11.15 O ATOM 855 CB LYS A 52 1.318 -19.585 -8.497 1.00 21.22 C ATOM 856 CG LYS A 52 0.318 -20.646 -8.070 1.00 10.13 C ATOM 857 CD LYS A 52 -1.082 -20.322 -8.562 1.00 32.21 C ATOM 858 CE LYS A 52 -2.012 -19.972 -7.410 1.00 73.31 C ATOM 859 NZ LYS A 52 -3.422 -19.819 -7.860 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.913 -22.022 -7.941 1.00 54.43 H new ATOM 0 HA LYS A 52 3.434 -19.249 -8.682 1.00 32.42 H new ATOM 0 HB2 LYS A 52 1.066 -18.643 -8.010 1.00 21.22 H new ATOM 0 HB3 LYS A 52 1.227 -19.423 -9.571 1.00 21.22 H new ATOM 0 HG2 LYS A 52 0.626 -21.616 -8.460 1.00 10.13 H new ATOM 0 HG3 LYS A 52 0.313 -20.726 -6.983 1.00 10.13 H new ATOM 0 HD2 LYS A 52 -1.039 -19.488 -9.262 1.00 32.21 H new ATOM 0 HD3 LYS A 52 -1.483 -21.176 -9.108 1.00 32.21 H new ATOM 0 HE2 LYS A 52 -1.956 -20.751 -6.649 1.00 73.31 H new ATOM 0 HE3 LYS A 52 -1.678 -19.046 -6.943 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -4.023 -19.581 -7.045 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 -3.480 -19.059 -8.567 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -3.750 -20.711 -8.283 1.00 35.03 H new ATOM 873 N LEU A 53 3.231 -18.592 -6.209 1.00 61.23 N ATOM 874 CA LEU A 53 3.472 -18.337 -4.792 1.00 12.34 C ATOM 875 C LEU A 53 2.228 -17.759 -4.125 1.00 64.35 C ATOM 876 O LEU A 53 1.536 -16.918 -4.698 1.00 64.45 O ATOM 877 CB LEU A 53 4.650 -17.376 -4.619 1.00 22.14 C ATOM 878 CG LEU A 53 5.993 -18.017 -4.269 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.577 -18.729 -5.480 1.00 71.22 C ATOM 880 CD2 LEU A 53 6.963 -16.968 -3.744 1.00 42.33 C ATOM 0 H LEU A 53 3.252 -17.759 -6.797 1.00 61.23 H new ATOM 0 HA LEU A 53 3.712 -19.286 -4.313 1.00 12.34 H new ATOM 0 HB2 LEU A 53 4.770 -16.810 -5.543 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.397 -16.660 -3.837 1.00 22.14 H new ATOM 0 HG LEU A 53 5.828 -18.756 -3.485 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.533 -19.179 -5.212 1.00 71.22 H new ATOM 0 HD12 LEU A 53 5.890 -19.507 -5.811 1.00 71.22 H new ATOM 0 HD13 LEU A 53 6.728 -18.011 -6.286 1.00 71.22 H new ATOM 0 HD21 LEU A 53 7.914 -17.442 -3.500 1.00 42.33 H new ATOM 0 HD22 LEU A 53 7.123 -16.206 -4.507 1.00 42.33 H new ATOM 0 HD23 LEU A 53 6.548 -16.504 -2.849 1.00 42.33 H new ATOM 892 N VAL A 54 1.951 -18.215 -2.907 1.00 5.45 N ATOM 893 CA VAL A 54 0.791 -17.743 -2.159 1.00 41.23 C ATOM 894 C VAL A 54 1.150 -17.475 -0.701 1.00 45.12 C ATOM 895 O VAL A 54 2.128 -18.014 -0.184 1.00 72.40 O ATOM 896 CB VAL A 54 -0.365 -18.758 -2.214 1.00 72.04 C ATOM 897 CG1 VAL A 54 -0.549 -19.281 -3.630 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.115 -19.902 -1.241 1.00 11.01 C ATOM 0 H VAL A 54 2.514 -18.911 -2.417 1.00 5.45 H new ATOM 0 HA VAL A 54 0.469 -16.813 -2.628 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.284 -18.253 -1.917 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.370 -19.997 -3.649 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -0.776 -18.450 -4.298 1.00 71.10 H new ATOM 0 HG13 VAL A 54 0.367 -19.771 -3.959 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -0.942 -20.611 -1.292 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.814 -20.408 -1.505 1.00 11.01 H new ATOM 0 HG23 VAL A 54 -0.038 -19.508 -0.228 1.00 11.01 H new ATOM 908 N GLU A 55 0.352 -16.639 -0.045 1.00 21.23 N ATOM 909 CA GLU A 55 0.586 -16.300 1.354 1.00 34.21 C ATOM 910 C GLU A 55 -0.231 -17.200 2.276 1.00 31.12 C ATOM 911 O GLU A 55 -1.434 -17.001 2.449 1.00 24.40 O ATOM 912 CB GLU A 55 0.235 -14.834 1.612 1.00 60.31 C ATOM 913 CG GLU A 55 0.752 -13.886 0.542 1.00 21.34 C ATOM 914 CD GLU A 55 -0.362 -13.274 -0.283 1.00 40.15 C ATOM 915 OE1 GLU A 55 -1.427 -12.967 0.291 1.00 73.52 O1- ATOM 916 OE2 GLU A 55 -0.168 -13.101 -1.505 1.00 15.53 O ATOM 0 H GLU A 55 -0.462 -16.184 -0.459 1.00 21.23 H new ATOM 0 HA GLU A 55 1.644 -16.456 1.567 1.00 34.21 H new ATOM 0 HB2 GLU A 55 -0.848 -14.735 1.680 1.00 60.31 H new ATOM 0 HB3 GLU A 55 0.644 -14.536 2.578 1.00 60.31 H new ATOM 0 HG2 GLU A 55 1.328 -13.090 1.015 1.00 21.34 H new ATOM 0 HG3 GLU A 55 1.433 -14.425 -0.117 1.00 21.34 H new ATOM 923 N SER A 56 0.429 -18.192 2.865 1.00 73.41 N ATOM 924 CA SER A 56 -0.235 -19.125 3.766 1.00 43.24 C ATOM 925 C SER A 56 0.785 -19.966 4.528 1.00 1.33 C ATOM 926 O SER A 56 1.959 -20.021 4.160 1.00 11.10 O ATOM 927 CB SER A 56 -1.182 -20.037 2.982 1.00 44.34 C ATOM 928 OG SER A 56 -2.524 -19.597 3.094 1.00 12.25 O ATOM 0 H SER A 56 1.425 -18.370 2.734 1.00 73.41 H new ATOM 0 HA SER A 56 -0.812 -18.546 4.487 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.888 -20.055 1.932 1.00 44.34 H new ATOM 0 HB3 SER A 56 -1.099 -21.058 3.354 1.00 44.34 H new ATOM 0 HG SER A 56 -2.570 -18.636 2.906 1.00 12.25 H new ATOM 934 N ASP A 57 0.328 -20.619 5.591 1.00 31.32 N ATOM 935 CA ASP A 57 1.200 -21.458 6.405 1.00 71.22 C ATOM 936 C ASP A 57 0.660 -22.883 6.487 1.00 51.13 C ATOM 937 O ASP A 57 -0.434 -23.114 7.003 1.00 50.20 O ATOM 938 CB ASP A 57 1.342 -20.872 7.810 1.00 63.23 C ATOM 939 CG ASP A 57 2.787 -20.788 8.259 1.00 3.54 C ATOM 940 OD1 ASP A 57 3.662 -20.539 7.403 1.00 34.13 O ATOM 941 OD2 ASP A 57 3.044 -20.972 9.468 1.00 2.01 O1- ATOM 0 H ASP A 57 -0.641 -20.584 5.909 1.00 31.32 H new ATOM 0 HA ASP A 57 2.181 -21.486 5.931 1.00 71.22 H new ATOM 0 HB2 ASP A 57 0.899 -19.876 7.831 1.00 63.23 H new ATOM 0 HB3 ASP A 57 0.781 -21.485 8.515 1.00 63.23 H new ATOM 946 N ASP A 58 1.433 -23.834 5.975 1.00 42.15 N ATOM 947 CA ASP A 58 1.034 -25.236 5.990 1.00 13.22 C ATOM 948 C ASP A 58 2.241 -26.143 6.207 1.00 50.02 C ATOM 949 O ASP A 58 3.381 -25.746 5.962 1.00 32.03 O ATOM 950 CB ASP A 58 0.333 -25.603 4.681 1.00 32.33 C ATOM 951 CG ASP A 58 -0.316 -24.405 4.016 1.00 34.24 C ATOM 952 OD1 ASP A 58 0.406 -23.632 3.351 1.00 62.33 O ATOM 953 OD2 ASP A 58 -1.545 -24.240 4.160 1.00 21.22 O1- ATOM 0 H ASP A 58 2.341 -23.659 5.544 1.00 42.15 H new ATOM 0 HA ASP A 58 0.340 -25.381 6.818 1.00 13.22 H new ATOM 0 HB2 ASP A 58 1.056 -26.047 3.997 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.426 -26.360 4.878 1.00 32.33 H new ATOM 958 N ALA A 59 1.983 -27.362 6.668 1.00 54.42 N ATOM 959 CA ALA A 59 3.049 -28.326 6.917 1.00 64.04 C ATOM 960 C ALA A 59 3.871 -28.571 5.657 1.00 23.53 C ATOM 961 O ALA A 59 3.529 -29.422 4.836 1.00 64.14 O ATOM 962 CB ALA A 59 2.467 -29.633 7.434 1.00 20.01 C ATOM 0 H ALA A 59 1.046 -27.706 6.877 1.00 54.42 H new ATOM 0 HA ALA A 59 3.712 -27.911 7.676 1.00 64.04 H new ATOM 0 HB1 ALA A 59 3.273 -30.344 7.616 1.00 20.01 H new ATOM 0 HB2 ALA A 59 1.929 -29.449 8.364 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.781 -30.044 6.693 1.00 20.01 H new ATOM 968 N ALA A 60 4.958 -27.822 5.510 1.00 25.42 N ATOM 969 CA ALA A 60 5.831 -27.960 4.350 1.00 52.24 C ATOM 970 C ALA A 60 7.033 -28.841 4.670 1.00 52.10 C ATOM 971 O ALA A 60 7.553 -28.817 5.785 1.00 32.51 O ATOM 972 CB ALA A 60 6.291 -26.591 3.870 1.00 60.25 C ATOM 0 H ALA A 60 5.256 -27.113 6.180 1.00 25.42 H new ATOM 0 HA ALA A 60 5.263 -28.440 3.554 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.942 -26.709 3.004 1.00 60.25 H new ATOM 0 HB2 ALA A 60 5.423 -25.992 3.593 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.838 -26.090 4.669 1.00 60.25 H new ATOM 978 N GLU A 61 7.469 -29.619 3.685 1.00 12.15 N ATOM 979 CA GLU A 61 8.610 -30.511 3.862 1.00 60.24 C ATOM 980 C GLU A 61 9.885 -29.716 4.130 1.00 60.45 C ATOM 981 O GLU A 61 10.880 -30.260 4.606 1.00 34.32 O ATOM 982 CB GLU A 61 8.795 -31.392 2.626 1.00 40.01 C ATOM 983 CG GLU A 61 8.242 -32.798 2.792 1.00 60.43 C ATOM 984 CD GLU A 61 6.726 -32.832 2.780 1.00 63.55 C ATOM 985 OE1 GLU A 61 6.109 -32.078 3.560 1.00 10.35 O ATOM 986 OE2 GLU A 61 6.156 -33.614 1.989 1.00 4.32 O1- ATOM 0 H GLU A 61 7.050 -29.650 2.756 1.00 12.15 H new ATOM 0 HA GLU A 61 8.411 -31.147 4.724 1.00 60.24 H new ATOM 0 HB2 GLU A 61 8.307 -30.917 1.775 1.00 40.01 H new ATOM 0 HB3 GLU A 61 9.857 -31.454 2.390 1.00 40.01 H new ATOM 0 HG2 GLU A 61 8.623 -33.431 1.991 1.00 60.43 H new ATOM 0 HG3 GLU A 61 8.604 -33.219 3.730 1.00 60.43 H new ATOM 993 N ALA A 62 9.845 -28.424 3.820 1.00 4.02 N ATOM 994 CA ALA A 62 10.995 -27.553 4.028 1.00 60.23 C ATOM 995 C ALA A 62 10.556 -26.153 4.441 1.00 52.32 C ATOM 996 O ALA A 62 9.773 -25.505 3.745 1.00 12.21 O ATOM 997 CB ALA A 62 11.844 -27.490 2.767 1.00 14.02 C ATOM 0 H ALA A 62 9.029 -27.958 3.424 1.00 4.02 H new ATOM 0 HA ALA A 62 11.594 -27.971 4.837 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.699 -26.836 2.937 1.00 14.02 H new ATOM 0 HB2 ALA A 62 12.196 -28.490 2.515 1.00 14.02 H new ATOM 0 HB3 ALA A 62 11.245 -27.098 1.945 1.00 14.02 H new ATOM 1003 N THR A 63 11.063 -25.689 5.579 1.00 64.23 N ATOM 1004 CA THR A 63 10.722 -24.366 6.087 1.00 11.41 C ATOM 1005 C THR A 63 11.883 -23.394 5.911 1.00 73.24 C ATOM 1006 O THR A 63 13.018 -23.694 6.281 1.00 53.04 O ATOM 1007 CB THR A 63 10.331 -24.420 7.576 1.00 31.34 C ATOM 1008 OG1 THR A 63 9.105 -25.143 7.736 1.00 62.11 O ATOM 1009 CG2 THR A 63 10.177 -23.017 8.145 1.00 45.10 C ATOM 0 H THR A 63 11.712 -26.211 6.167 1.00 64.23 H new ATOM 0 HA THR A 63 9.868 -24.015 5.508 1.00 11.41 H new ATOM 0 HB THR A 63 11.126 -24.931 8.120 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.708 -24.925 8.605 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.901 -23.080 9.198 1.00 45.10 H new ATOM 0 HG22 THR A 63 11.121 -22.480 8.049 1.00 45.10 H new ATOM 0 HG23 THR A 63 9.399 -22.485 7.597 1.00 45.10 H new ATOM 1017 N LEU A 64 11.591 -22.228 5.346 1.00 31.21 N ATOM 1018 CA LEU A 64 12.611 -21.210 5.122 1.00 23.22 C ATOM 1019 C LEU A 64 12.171 -19.864 5.689 1.00 10.31 C ATOM 1020 O LEU A 64 11.296 -19.200 5.132 1.00 34.35 O ATOM 1021 CB LEU A 64 12.905 -21.075 3.627 1.00 42.20 C ATOM 1022 CG LEU A 64 13.671 -22.233 2.987 1.00 33.54 C ATOM 1023 CD1 LEU A 64 12.712 -23.183 2.285 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.715 -21.708 2.011 1.00 33.52 C ATOM 0 H LEU A 64 10.656 -21.964 5.035 1.00 31.21 H new ATOM 0 HA LEU A 64 13.519 -21.521 5.638 1.00 23.22 H new ATOM 0 HB2 LEU A 64 11.958 -20.957 3.100 1.00 42.20 H new ATOM 0 HB3 LEU A 64 13.474 -20.159 3.470 1.00 42.20 H new ATOM 0 HG LEU A 64 14.185 -22.784 3.775 1.00 33.54 H new ATOM 0 HD11 LEU A 64 13.274 -24.001 1.835 1.00 24.14 H new ATOM 0 HD12 LEU A 64 12.003 -23.585 3.009 1.00 24.14 H new ATOM 0 HD13 LEU A 64 12.170 -22.644 1.507 1.00 24.14 H new ATOM 0 HD21 LEU A 64 15.250 -22.546 1.565 1.00 33.52 H new ATOM 0 HD22 LEU A 64 14.223 -21.133 1.226 1.00 33.52 H new ATOM 0 HD23 LEU A 64 15.420 -21.068 2.542 1.00 33.52 H new ATOM 1036 N THR A 65 12.784 -19.465 6.799 1.00 71.33 N ATOM 1037 CA THR A 65 12.457 -18.198 7.440 1.00 73.12 C ATOM 1038 C THR A 65 13.458 -17.114 7.059 1.00 14.11 C ATOM 1039 O THR A 65 14.667 -17.340 7.071 1.00 44.01 O ATOM 1040 CB THR A 65 12.426 -18.337 8.974 1.00 74.44 C ATOM 1041 OG1 THR A 65 11.531 -17.371 9.536 1.00 70.01 O ATOM 1042 CG2 THR A 65 13.817 -18.149 9.562 1.00 42.34 C ATOM 0 H THR A 65 13.510 -20.002 7.273 1.00 71.33 H new ATOM 0 HA THR A 65 11.466 -17.912 7.088 1.00 73.12 H new ATOM 0 HB THR A 65 12.077 -19.340 9.219 1.00 74.44 H new ATOM 0 HG1 THR A 65 11.742 -17.242 10.484 1.00 70.01 H new ATOM 0 HG21 THR A 65 13.771 -18.251 10.646 1.00 42.34 H new ATOM 0 HG22 THR A 65 14.489 -18.904 9.155 1.00 42.34 H new ATOM 0 HG23 THR A 65 14.189 -17.157 9.307 1.00 42.34 H new ATOM 1050 N MET A 66 12.945 -15.935 6.721 1.00 44.23 N ATOM 1051 CA MET A 66 13.797 -14.814 6.338 1.00 35.33 C ATOM 1052 C MET A 66 13.050 -13.492 6.480 1.00 74.32 C ATOM 1053 O MET A 66 11.826 -13.445 6.372 1.00 1.23 O ATOM 1054 CB MET A 66 14.284 -14.986 4.897 1.00 73.33 C ATOM 1055 CG MET A 66 15.502 -15.886 4.771 1.00 31.14 C ATOM 1056 SD MET A 66 15.106 -17.493 4.058 1.00 74.11 S ATOM 1057 CE MET A 66 16.694 -18.314 4.172 1.00 64.32 C ATOM 0 H MET A 66 11.946 -15.731 6.704 1.00 44.23 H new ATOM 0 HA MET A 66 14.658 -14.798 7.006 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.474 -15.398 4.295 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.522 -14.006 4.483 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.251 -15.393 4.152 1.00 31.14 H new ATOM 0 HG3 MET A 66 15.947 -16.029 5.756 1.00 31.14 H new ATOM 0 HE1 MET A 66 16.635 -19.289 3.689 1.00 64.32 H new ATOM 0 HE2 MET A 66 17.453 -17.709 3.676 1.00 64.32 H new ATOM 0 HE3 MET A 66 16.962 -18.444 5.221 1.00 64.32 H new ATOM 1067 N GLU A 67 13.797 -12.419 6.725 1.00 74.44 N ATOM 1068 CA GLU A 67 13.204 -11.097 6.884 1.00 65.21 C ATOM 1069 C GLU A 67 12.973 -10.438 5.527 1.00 21.25 C ATOM 1070 O GLU A 67 13.601 -10.801 4.533 1.00 71.54 O ATOM 1071 CB GLU A 67 14.105 -10.210 7.746 1.00 61.44 C ATOM 1072 CG GLU A 67 14.214 -10.674 9.190 1.00 20.41 C ATOM 1073 CD GLU A 67 14.613 -9.556 10.134 1.00 50.14 C ATOM 1074 OE1 GLU A 67 14.527 -8.379 9.729 1.00 14.41 O1- ATOM 1075 OE2 GLU A 67 15.011 -9.861 11.277 1.00 70.53 O ATOM 0 H GLU A 67 14.813 -12.440 6.817 1.00 74.44 H new ATOM 0 HA GLU A 67 12.241 -11.216 7.380 1.00 65.21 H new ATOM 0 HB2 GLU A 67 15.102 -10.182 7.306 1.00 61.44 H new ATOM 0 HB3 GLU A 67 13.720 -9.190 7.729 1.00 61.44 H new ATOM 0 HG2 GLU A 67 13.257 -11.088 9.508 1.00 20.41 H new ATOM 0 HG3 GLU A 67 14.947 -11.478 9.255 1.00 20.41 H new ATOM 1082 N ASP A 68 12.067 -9.467 5.494 1.00 21.12 N ATOM 1083 CA ASP A 68 11.751 -8.757 4.261 1.00 71.10 C ATOM 1084 C ASP A 68 13.025 -8.360 3.521 1.00 24.42 C ATOM 1085 O ASP A 68 13.236 -8.750 2.373 1.00 74.24 O ATOM 1086 CB ASP A 68 10.915 -7.513 4.563 1.00 64.02 C ATOM 1087 CG ASP A 68 9.685 -7.414 3.683 1.00 31.40 C ATOM 1088 OD1 ASP A 68 9.071 -8.464 3.400 1.00 12.13 O ATOM 1089 OD2 ASP A 68 9.335 -6.286 3.277 1.00 75.34 O1- ATOM 0 H ASP A 68 11.538 -9.154 6.308 1.00 21.12 H new ATOM 0 HA ASP A 68 11.174 -9.427 3.623 1.00 71.10 H new ATOM 0 HB2 ASP A 68 10.609 -7.530 5.609 1.00 64.02 H new ATOM 0 HB3 ASP A 68 11.530 -6.623 4.425 1.00 64.02 H new ATOM 1094 N ASP A 69 13.872 -7.582 4.186 1.00 45.41 N ATOM 1095 CA ASP A 69 15.125 -7.132 3.593 1.00 14.54 C ATOM 1096 C ASP A 69 15.914 -8.311 3.030 1.00 22.43 C ATOM 1097 O ASP A 69 16.405 -8.261 1.902 1.00 53.21 O ATOM 1098 CB ASP A 69 15.968 -6.388 4.629 1.00 1.15 C ATOM 1099 CG ASP A 69 16.077 -4.906 4.330 1.00 54.42 C ATOM 1100 OD1 ASP A 69 15.034 -4.219 4.347 1.00 30.41 O1- ATOM 1101 OD2 ASP A 69 17.205 -4.432 4.079 1.00 74.02 O ATOM 0 H ASP A 69 13.713 -7.250 5.137 1.00 45.41 H new ATOM 0 HA ASP A 69 14.887 -6.452 2.775 1.00 14.54 H new ATOM 0 HB2 ASP A 69 15.528 -6.525 5.617 1.00 1.15 H new ATOM 0 HB3 ASP A 69 16.967 -6.824 4.661 1.00 1.15 H new ATOM 1106 N ILE A 70 16.032 -9.369 3.825 1.00 1.14 N ATOM 1107 CA ILE A 70 16.762 -10.561 3.406 1.00 43.35 C ATOM 1108 C ILE A 70 16.253 -11.072 2.062 1.00 31.44 C ATOM 1109 O ILE A 70 17.039 -11.412 1.179 1.00 24.31 O ATOM 1110 CB ILE A 70 16.645 -11.688 4.450 1.00 13.31 C ATOM 1111 CG1 ILE A 70 17.535 -11.388 5.657 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.018 -13.025 3.828 1.00 11.14 C ATOM 1113 CD1 ILE A 70 19.013 -11.389 5.333 1.00 73.31 C ATOM 0 H ILE A 70 15.632 -9.426 4.762 1.00 1.14 H new ATOM 0 HA ILE A 70 17.809 -10.274 3.310 1.00 43.35 H new ATOM 0 HB ILE A 70 15.611 -11.744 4.790 1.00 13.31 H new ATOM 0 HG12 ILE A 70 17.262 -10.416 6.067 1.00 2.20 H new ATOM 0 HG13 ILE A 70 17.341 -12.127 6.434 1.00 2.20 H new ATOM 0 HG21 ILE A 70 16.931 -13.812 4.577 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.347 -13.239 2.997 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.044 -12.983 3.464 1.00 11.14 H new ATOM 0 HD11 ILE A 70 19.583 -11.169 6.235 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.301 -12.368 4.951 1.00 73.31 H new ATOM 0 HD13 ILE A 70 19.221 -10.630 4.579 1.00 73.31 H new ATOM 1125 N MET A 71 14.933 -11.123 1.916 1.00 71.51 N ATOM 1126 CA MET A 71 14.319 -11.590 0.679 1.00 43.30 C ATOM 1127 C MET A 71 14.911 -10.869 -0.528 1.00 65.43 C ATOM 1128 O MET A 71 15.187 -11.485 -1.558 1.00 75.00 O ATOM 1129 CB MET A 71 12.805 -11.377 0.723 1.00 72.31 C ATOM 1130 CG MET A 71 12.005 -12.639 0.444 1.00 1.33 C ATOM 1131 SD MET A 71 12.307 -13.935 1.660 1.00 74.13 S ATOM 1132 CE MET A 71 11.941 -13.064 3.182 1.00 31.24 C ATOM 0 H MET A 71 14.268 -10.847 2.639 1.00 71.51 H new ATOM 0 HA MET A 71 14.525 -12.656 0.581 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.529 -10.991 1.704 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.532 -10.615 -0.007 1.00 72.31 H new ATOM 0 HG2 MET A 71 10.942 -12.396 0.434 1.00 1.33 H new ATOM 0 HG3 MET A 71 12.256 -13.012 -0.549 1.00 1.33 H new ATOM 0 HE1 MET A 71 11.416 -13.731 3.866 1.00 31.24 H new ATOM 0 HE2 MET A 71 12.871 -12.730 3.643 1.00 31.24 H new ATOM 0 HE3 MET A 71 11.313 -12.200 2.965 1.00 31.24 H new ATOM 1142 N PHE A 72 15.103 -9.561 -0.394 1.00 41.54 N ATOM 1143 CA PHE A 72 15.661 -8.755 -1.474 1.00 22.30 C ATOM 1144 C PHE A 72 17.123 -9.115 -1.721 1.00 43.01 C ATOM 1145 O PHE A 72 17.615 -9.023 -2.846 1.00 63.32 O ATOM 1146 CB PHE A 72 15.539 -7.266 -1.143 1.00 44.00 C ATOM 1147 CG PHE A 72 15.703 -6.371 -2.339 1.00 52.50 C ATOM 1148 CD1 PHE A 72 15.006 -6.623 -3.510 1.00 61.23 C ATOM 1149 CD2 PHE A 72 16.553 -5.279 -2.292 1.00 2.12 C ATOM 1150 CE1 PHE A 72 15.156 -5.802 -4.612 1.00 44.43 C ATOM 1151 CE2 PHE A 72 16.706 -4.454 -3.390 1.00 51.42 C ATOM 1152 CZ PHE A 72 16.006 -4.715 -4.551 1.00 61.11 C ATOM 0 H PHE A 72 14.880 -9.036 0.452 1.00 41.54 H new ATOM 0 HA PHE A 72 15.095 -8.966 -2.381 1.00 22.30 H new ATOM 0 HB2 PHE A 72 14.564 -7.081 -0.691 1.00 44.00 H new ATOM 0 HB3 PHE A 72 16.290 -7.005 -0.398 1.00 44.00 H new ATOM 0 HD1 PHE A 72 14.338 -7.470 -3.562 1.00 61.23 H new ATOM 0 HD2 PHE A 72 17.103 -5.070 -1.386 1.00 2.12 H new ATOM 0 HE1 PHE A 72 14.609 -6.010 -5.520 1.00 44.43 H new ATOM 0 HE2 PHE A 72 17.373 -3.606 -3.340 1.00 51.42 H new ATOM 0 HZ PHE A 72 16.123 -4.071 -5.410 1.00 61.11 H new ATOM 1162 N ALA A 73 17.813 -9.523 -0.661 1.00 72.11 N ATOM 1163 CA ALA A 73 19.218 -9.897 -0.762 1.00 15.10 C ATOM 1164 C ALA A 73 19.375 -11.273 -1.402 1.00 3.03 C ATOM 1165 O ALA A 73 20.019 -11.414 -2.443 1.00 20.54 O ATOM 1166 CB ALA A 73 19.870 -9.875 0.612 1.00 40.23 C ATOM 0 H ALA A 73 17.422 -9.603 0.278 1.00 72.11 H new ATOM 0 HA ALA A 73 19.717 -9.169 -1.401 1.00 15.10 H new ATOM 0 HB1 ALA A 73 20.919 -10.156 0.521 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.798 -8.872 1.033 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.360 -10.581 1.268 1.00 40.23 H new ATOM 1172 N ILE A 74 18.785 -12.283 -0.774 1.00 62.02 N ATOM 1173 CA ILE A 74 18.858 -13.647 -1.282 1.00 2.11 C ATOM 1174 C ILE A 74 18.112 -13.781 -2.605 1.00 5.14 C ATOM 1175 O ILE A 74 18.620 -14.368 -3.560 1.00 43.34 O ATOM 1176 CB ILE A 74 18.279 -14.656 -0.274 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.123 -14.679 1.002 1.00 44.31 C ATOM 1178 CG2 ILE A 74 18.210 -16.045 -0.894 1.00 21.22 C ATOM 1179 CD1 ILE A 74 18.672 -15.714 2.007 1.00 30.22 C ATOM 0 H ILE A 74 18.250 -12.183 0.089 1.00 62.02 H new ATOM 0 HA ILE A 74 19.914 -13.869 -1.439 1.00 2.11 H new ATOM 0 HB ILE A 74 17.268 -14.345 -0.013 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.163 -14.871 0.737 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.090 -13.694 1.468 1.00 44.31 H new ATOM 0 HG21 ILE A 74 17.799 -16.747 -0.169 1.00 21.22 H new ATOM 0 HG22 ILE A 74 17.571 -16.018 -1.776 1.00 21.22 H new ATOM 0 HG23 ILE A 74 19.211 -16.365 -1.181 1.00 21.22 H new ATOM 0 HD11 ILE A 74 19.316 -15.673 2.886 1.00 30.22 H new ATOM 0 HD12 ILE A 74 17.642 -15.511 2.302 1.00 30.22 H new ATOM 0 HD13 ILE A 74 18.732 -16.706 1.559 1.00 30.22 H new ATOM 1191 N GLY A 75 16.903 -13.231 -2.655 1.00 3.13 N ATOM 1192 CA GLY A 75 16.106 -13.299 -3.866 1.00 32.31 C ATOM 1193 C GLY A 75 16.861 -12.805 -5.085 1.00 1.25 C ATOM 1194 O GLY A 75 16.708 -13.346 -6.181 1.00 54.01 O ATOM 0 H GLY A 75 16.461 -12.739 -1.878 1.00 3.13 H new ATOM 0 HA2 GLY A 75 15.789 -14.329 -4.031 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.202 -12.704 -3.736 1.00 32.31 H new ATOM 1198 N THR A 76 17.678 -11.773 -4.896 1.00 53.52 N ATOM 1199 CA THR A 76 18.456 -11.205 -5.988 1.00 44.22 C ATOM 1200 C THR A 76 19.849 -11.821 -6.049 1.00 51.23 C ATOM 1201 O THR A 76 20.689 -11.403 -6.845 1.00 5.23 O ATOM 1202 CB THR A 76 18.590 -9.676 -5.847 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.391 -9.358 -4.704 1.00 43.24 O ATOM 1204 CG2 THR A 76 17.222 -9.025 -5.712 1.00 74.33 C ATOM 0 H THR A 76 17.817 -11.314 -3.996 1.00 53.52 H new ATOM 0 HA THR A 76 17.920 -11.432 -6.909 1.00 44.22 H new ATOM 0 HB THR A 76 19.072 -9.290 -6.745 1.00 62.11 H new ATOM 0 HG1 THR A 76 18.831 -9.365 -3.900 1.00 43.24 H new ATOM 0 HG21 THR A 76 17.341 -7.946 -5.614 1.00 74.33 H new ATOM 0 HG22 THR A 76 16.625 -9.245 -6.597 1.00 74.33 H new ATOM 0 HG23 THR A 76 16.718 -9.417 -4.828 1.00 74.33 H new ATOM 1212 N GLY A 77 20.088 -12.819 -5.204 1.00 1.41 N ATOM 1213 CA GLY A 77 21.381 -13.478 -5.178 1.00 40.44 C ATOM 1214 C GLY A 77 22.513 -12.519 -4.864 1.00 21.42 C ATOM 1215 O GLY A 77 23.634 -12.695 -5.341 1.00 72.34 O ATOM 0 H GLY A 77 19.409 -13.183 -4.536 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.365 -14.273 -4.433 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.565 -13.949 -6.144 1.00 40.44 H new ATOM 1219 N ALA A 78 22.220 -11.503 -4.059 1.00 14.03 N ATOM 1220 CA ALA A 78 23.222 -10.515 -3.682 1.00 4.53 C ATOM 1221 C ALA A 78 24.189 -11.080 -2.647 1.00 51.42 C ATOM 1222 O ALA A 78 25.392 -10.824 -2.702 1.00 12.13 O ATOM 1223 CB ALA A 78 22.549 -9.259 -3.145 1.00 15.31 C ATOM 0 H ALA A 78 21.297 -11.343 -3.656 1.00 14.03 H new ATOM 0 HA ALA A 78 23.794 -10.257 -4.573 1.00 4.53 H new ATOM 0 HB1 ALA A 78 23.309 -8.529 -2.867 1.00 15.31 H new ATOM 0 HB2 ALA A 78 21.903 -8.835 -3.914 1.00 15.31 H new ATOM 0 HB3 ALA A 78 21.952 -9.512 -2.269 1.00 15.31 H new ATOM 1229 N LEU A 79 23.657 -11.850 -1.705 1.00 34.13 N ATOM 1230 CA LEU A 79 24.473 -12.453 -0.657 1.00 54.32 C ATOM 1231 C LEU A 79 24.273 -13.964 -0.612 1.00 62.35 C ATOM 1232 O LEU A 79 23.245 -14.492 -1.036 1.00 75.14 O ATOM 1233 CB LEU A 79 24.126 -11.841 0.702 1.00 45.25 C ATOM 1234 CG LEU A 79 22.644 -11.567 0.956 1.00 22.42 C ATOM 1235 CD1 LEU A 79 21.861 -12.870 1.001 1.00 41.33 C ATOM 1236 CD2 LEU A 79 22.460 -10.787 2.250 1.00 23.31 C ATOM 0 H LEU A 79 22.663 -12.072 -1.645 1.00 34.13 H new ATOM 0 HA LEU A 79 25.520 -12.250 -0.884 1.00 54.32 H new ATOM 0 HB2 LEU A 79 24.490 -12.509 1.482 1.00 45.25 H new ATOM 0 HB3 LEU A 79 24.671 -10.903 0.805 1.00 45.25 H new ATOM 0 HG LEU A 79 22.259 -10.964 0.134 1.00 22.42 H new ATOM 0 HD11 LEU A 79 20.808 -12.656 1.183 1.00 41.33 H new ATOM 0 HD12 LEU A 79 21.966 -13.391 0.049 1.00 41.33 H new ATOM 0 HD13 LEU A 79 22.247 -13.499 1.803 1.00 41.33 H new ATOM 0 HD21 LEU A 79 21.399 -10.601 2.415 1.00 23.31 H new ATOM 0 HD22 LEU A 79 22.861 -11.364 3.083 1.00 23.31 H new ATOM 0 HD23 LEU A 79 22.989 -9.836 2.180 1.00 23.31 H new ATOM 1248 N PRO A 80 25.279 -14.679 -0.085 1.00 14.00 N ATOM 1249 CA PRO A 80 25.236 -16.139 0.030 1.00 41.14 C ATOM 1250 C PRO A 80 24.226 -16.610 1.072 1.00 21.40 C ATOM 1251 O PRO A 80 24.259 -16.176 2.223 1.00 0.41 O ATOM 1252 CB PRO A 80 26.658 -16.503 0.464 1.00 72.45 C ATOM 1253 CG PRO A 80 27.170 -15.281 1.146 1.00 25.51 C ATOM 1254 CD PRO A 80 26.534 -14.116 0.439 1.00 63.44 C ATOM 0 HA PRO A 80 24.925 -16.611 -0.902 1.00 41.14 H new ATOM 0 HB2 PRO A 80 26.659 -17.361 1.136 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.278 -16.768 -0.393 1.00 72.45 H new ATOM 0 HG2 PRO A 80 26.908 -15.286 2.204 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.257 -15.227 1.087 1.00 25.51 H new ATOM 0 HD2 PRO A 80 26.348 -13.285 1.120 1.00 63.44 H new ATOM 0 HD3 PRO A 80 27.169 -13.736 -0.361 1.00 63.44 H new ATOM 1262 N ALA A 81 23.328 -17.499 0.659 1.00 32.45 N ATOM 1263 CA ALA A 81 22.309 -18.030 1.556 1.00 0.14 C ATOM 1264 C ALA A 81 22.940 -18.839 2.684 1.00 23.15 C ATOM 1265 O ALA A 81 22.450 -18.836 3.813 1.00 35.22 O ATOM 1266 CB ALA A 81 21.316 -18.883 0.782 1.00 1.12 C ATOM 0 H ALA A 81 23.286 -17.867 -0.292 1.00 32.45 H new ATOM 0 HA ALA A 81 21.777 -17.189 2.001 1.00 0.14 H new ATOM 0 HB1 ALA A 81 20.561 -19.273 1.465 1.00 1.12 H new ATOM 0 HB2 ALA A 81 20.834 -18.275 0.016 1.00 1.12 H new ATOM 0 HB3 ALA A 81 21.841 -19.713 0.309 1.00 1.12 H new ATOM 1272 N LYS A 82 24.029 -19.533 2.371 1.00 52.31 N ATOM 1273 CA LYS A 82 24.729 -20.347 3.357 1.00 64.02 C ATOM 1274 C LYS A 82 25.331 -19.476 4.454 1.00 31.13 C ATOM 1275 O LYS A 82 25.071 -19.685 5.639 1.00 60.00 O ATOM 1276 CB LYS A 82 25.829 -21.170 2.683 1.00 15.40 C ATOM 1277 CG LYS A 82 25.897 -22.608 3.167 1.00 55.43 C ATOM 1278 CD LYS A 82 26.935 -23.406 2.398 1.00 25.31 C ATOM 1279 CE LYS A 82 26.645 -24.898 2.453 1.00 43.03 C ATOM 1280 NZ LYS A 82 27.230 -25.532 3.666 1.00 1.31 N1+ ATOM 0 H LYS A 82 24.446 -19.548 1.440 1.00 52.31 H new ATOM 0 HA LYS A 82 24.005 -21.023 3.811 1.00 64.02 H new ATOM 0 HB2 LYS A 82 25.665 -21.166 1.605 1.00 15.40 H new ATOM 0 HB3 LYS A 82 26.791 -20.690 2.861 1.00 15.40 H new ATOM 0 HG2 LYS A 82 26.138 -22.624 4.230 1.00 55.43 H new ATOM 0 HG3 LYS A 82 24.920 -23.077 3.055 1.00 55.43 H new ATOM 0 HD2 LYS A 82 26.953 -23.076 1.359 1.00 25.31 H new ATOM 0 HD3 LYS A 82 27.925 -23.211 2.811 1.00 25.31 H new ATOM 0 HE2 LYS A 82 25.567 -25.059 2.443 1.00 43.03 H new ATOM 0 HE3 LYS A 82 27.047 -25.379 1.562 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 27.010 -26.549 3.667 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 28.262 -25.401 3.663 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 26.827 -25.090 4.517 1.00 1.31 H new ATOM 1294 N GLU A 83 26.135 -18.497 4.052 1.00 54.33 N ATOM 1295 CA GLU A 83 26.773 -17.593 5.002 1.00 72.13 C ATOM 1296 C GLU A 83 25.729 -16.835 5.817 1.00 22.30 C ATOM 1297 O GLU A 83 25.844 -16.716 7.037 1.00 41.13 O ATOM 1298 CB GLU A 83 27.681 -16.604 4.269 1.00 33.31 C ATOM 1299 CG GLU A 83 29.084 -16.521 4.847 1.00 73.20 C ATOM 1300 CD GLU A 83 29.961 -17.681 4.417 1.00 31.14 C ATOM 1301 OE1 GLU A 83 29.598 -18.839 4.711 1.00 4.11 O ATOM 1302 OE2 GLU A 83 31.010 -17.431 3.788 1.00 42.32 O1- ATOM 0 H GLU A 83 26.360 -18.309 3.075 1.00 54.33 H new ATOM 0 HA GLU A 83 27.377 -18.191 5.684 1.00 72.13 H new ATOM 0 HB2 GLU A 83 27.746 -16.893 3.220 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.225 -15.614 4.300 1.00 33.31 H new ATOM 0 HG2 GLU A 83 29.547 -15.585 4.535 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.024 -16.499 5.935 1.00 73.20 H new ATOM 1309 N ALA A 84 24.710 -16.324 5.134 1.00 31.35 N ATOM 1310 CA ALA A 84 23.645 -15.578 5.793 1.00 33.22 C ATOM 1311 C ALA A 84 23.087 -16.354 6.981 1.00 0.53 C ATOM 1312 O ALA A 84 22.967 -15.819 8.082 1.00 54.02 O ATOM 1313 CB ALA A 84 22.536 -15.256 4.803 1.00 63.32 C ATOM 0 H ALA A 84 24.600 -16.413 4.124 1.00 31.35 H new ATOM 0 HA ALA A 84 24.066 -14.644 6.167 1.00 33.22 H new ATOM 0 HB1 ALA A 84 21.747 -14.699 5.309 1.00 63.32 H new ATOM 0 HB2 ALA A 84 22.939 -14.655 3.988 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.126 -16.183 4.402 1.00 63.32 H new ATOM 1319 N MET A 85 22.747 -17.618 6.750 1.00 15.31 N ATOM 1320 CA MET A 85 22.201 -18.466 7.803 1.00 72.33 C ATOM 1321 C MET A 85 23.305 -18.952 8.736 1.00 13.11 C ATOM 1322 O MET A 85 23.059 -19.243 9.907 1.00 65.35 O ATOM 1323 CB MET A 85 21.469 -19.665 7.194 1.00 14.13 C ATOM 1324 CG MET A 85 20.200 -19.285 6.447 1.00 2.33 C ATOM 1325 SD MET A 85 19.699 -20.538 5.252 1.00 30.31 S ATOM 1326 CE MET A 85 19.666 -19.573 3.743 1.00 34.22 C ATOM 0 H MET A 85 22.840 -18.077 5.844 1.00 15.31 H new ATOM 0 HA MET A 85 21.494 -17.873 8.382 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.142 -20.183 6.511 1.00 14.13 H new ATOM 0 HB3 MET A 85 21.217 -20.368 7.988 1.00 14.13 H new ATOM 0 HG2 MET A 85 19.394 -19.128 7.164 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.356 -18.338 5.931 1.00 2.33 H new ATOM 0 HE1 MET A 85 18.786 -19.841 3.159 1.00 34.22 H new ATOM 0 HE2 MET A 85 19.628 -18.512 3.990 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.564 -19.778 3.161 1.00 34.22 H new ATOM 1336 N ALA A 86 24.523 -19.037 8.212 1.00 22.40 N ATOM 1337 CA ALA A 86 25.665 -19.485 8.999 1.00 24.14 C ATOM 1338 C ALA A 86 25.924 -18.549 10.174 1.00 44.20 C ATOM 1339 O ALA A 86 26.432 -18.968 11.213 1.00 35.33 O ATOM 1340 CB ALA A 86 26.903 -19.590 8.121 1.00 41.43 C ATOM 0 H ALA A 86 24.744 -18.801 7.245 1.00 22.40 H new ATOM 0 HA ALA A 86 25.433 -20.472 9.400 1.00 24.14 H new ATOM 0 HB1 ALA A 86 27.748 -19.926 8.722 1.00 41.43 H new ATOM 0 HB2 ALA A 86 26.721 -20.306 7.319 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.128 -18.614 7.691 1.00 41.43 H new ATOM 1346 N GLN A 87 25.573 -17.278 10.000 1.00 21.33 N ATOM 1347 CA GLN A 87 25.769 -16.281 11.046 1.00 11.30 C ATOM 1348 C GLN A 87 24.564 -16.227 11.979 1.00 13.12 C ATOM 1349 O GLN A 87 24.262 -15.183 12.557 1.00 34.44 O ATOM 1350 CB GLN A 87 26.015 -14.904 10.427 1.00 62.44 C ATOM 1351 CG GLN A 87 27.448 -14.689 9.969 1.00 22.40 C ATOM 1352 CD GLN A 87 27.813 -13.221 9.866 1.00 42.41 C ATOM 1353 OE1 GLN A 87 28.547 -12.693 10.702 1.00 63.45 O ATOM 1354 NE2 GLN A 87 27.302 -12.555 8.839 1.00 23.23 N ATOM 0 H GLN A 87 25.152 -16.915 9.145 1.00 21.33 H new ATOM 0 HA GLN A 87 26.643 -16.569 11.630 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.347 -14.773 9.576 1.00 62.44 H new ATOM 0 HB3 GLN A 87 25.756 -14.136 11.156 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.126 -15.180 10.667 1.00 22.40 H new ATOM 0 HG3 GLN A 87 27.590 -15.164 8.998 1.00 22.40 H new ATOM 0 HE21 GLN A 87 26.698 -13.033 8.170 1.00 23.23 H new ATOM 0 HE22 GLN A 87 27.513 -11.564 8.718 1.00 23.23 H new ATOM 1363 N ASP A 88 23.879 -17.356 12.119 1.00 74.43 N ATOM 1364 CA ASP A 88 22.706 -17.436 12.982 1.00 30.11 C ATOM 1365 C ASP A 88 21.773 -16.255 12.744 1.00 61.34 C ATOM 1366 O ASP A 88 21.045 -15.833 13.643 1.00 12.20 O ATOM 1367 CB ASP A 88 23.130 -17.479 14.452 1.00 42.33 C ATOM 1368 CG ASP A 88 22.280 -18.428 15.273 1.00 10.02 C ATOM 1369 OD1 ASP A 88 21.052 -18.470 15.048 1.00 1.01 O1- ATOM 1370 OD2 ASP A 88 22.842 -19.130 16.139 1.00 73.51 O ATOM 0 H ASP A 88 24.115 -18.228 11.646 1.00 74.43 H new ATOM 0 HA ASP A 88 22.170 -18.353 12.739 1.00 30.11 H new ATOM 0 HB2 ASP A 88 24.175 -17.783 14.517 1.00 42.33 H new ATOM 0 HB3 ASP A 88 23.063 -16.477 14.876 1.00 42.33 H new ATOM 1375 N LYS A 89 21.802 -15.721 11.527 1.00 0.12 N ATOM 1376 CA LYS A 89 20.959 -14.587 11.168 1.00 50.20 C ATOM 1377 C LYS A 89 19.625 -15.059 10.599 1.00 23.34 C ATOM 1378 O LYS A 89 18.812 -14.251 10.148 1.00 54.12 O ATOM 1379 CB LYS A 89 21.674 -13.696 10.150 1.00 12.11 C ATOM 1380 CG LYS A 89 21.943 -12.289 10.656 1.00 1.11 C ATOM 1381 CD LYS A 89 20.682 -11.441 10.642 1.00 0.51 C ATOM 1382 CE LYS A 89 20.759 -10.312 11.659 1.00 23.00 C ATOM 1383 NZ LYS A 89 19.428 -10.012 12.256 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.401 -16.056 10.772 1.00 0.12 H new ATOM 0 HA LYS A 89 20.764 -14.010 12.072 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.620 -14.161 9.874 1.00 12.11 H new ATOM 0 HB3 LYS A 89 21.071 -13.638 9.244 1.00 12.11 H new ATOM 0 HG2 LYS A 89 22.340 -12.336 11.670 1.00 1.11 H new ATOM 0 HG3 LYS A 89 22.706 -11.818 10.036 1.00 1.11 H new ATOM 0 HD2 LYS A 89 20.533 -11.025 9.646 1.00 0.51 H new ATOM 0 HD3 LYS A 89 19.818 -12.069 10.858 1.00 0.51 H new ATOM 0 HE2 LYS A 89 21.459 -10.582 12.450 1.00 23.00 H new ATOM 0 HE3 LYS A 89 21.152 -9.416 11.178 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 19.523 -9.237 12.944 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 18.766 -9.729 11.505 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 19.064 -10.859 12.737 1.00 64.21 H new ATOM 1397 N MET A 90 19.407 -16.369 10.622 1.00 61.54 N ATOM 1398 CA MET A 90 18.170 -16.947 10.110 1.00 34.14 C ATOM 1399 C MET A 90 18.019 -18.396 10.562 1.00 23.11 C ATOM 1400 O MET A 90 19.009 -19.087 10.801 1.00 52.43 O ATOM 1401 CB MET A 90 18.140 -16.871 8.583 1.00 63.10 C ATOM 1402 CG MET A 90 17.414 -15.647 8.049 1.00 53.24 C ATOM 1403 SD MET A 90 18.440 -14.653 6.950 1.00 10.12 S ATOM 1404 CE MET A 90 18.813 -15.844 5.665 1.00 55.23 C ATOM 0 H MET A 90 20.071 -17.051 10.990 1.00 61.54 H new ATOM 0 HA MET A 90 17.336 -16.371 10.511 1.00 34.14 H new ATOM 0 HB2 MET A 90 19.163 -16.869 8.207 1.00 63.10 H new ATOM 0 HB3 MET A 90 17.659 -17.768 8.192 1.00 63.10 H new ATOM 0 HG2 MET A 90 16.519 -15.965 7.514 1.00 53.24 H new ATOM 0 HG3 MET A 90 17.084 -15.032 8.886 1.00 53.24 H new ATOM 0 HE1 MET A 90 19.891 -15.882 5.505 1.00 55.23 H new ATOM 0 HE2 MET A 90 18.456 -16.829 5.967 1.00 55.23 H new ATOM 0 HE3 MET A 90 18.319 -15.547 4.740 1.00 55.23 H new ATOM 1414 N GLU A 91 16.775 -18.849 10.677 1.00 65.45 N ATOM 1415 CA GLU A 91 16.496 -20.217 11.101 1.00 11.40 C ATOM 1416 C GLU A 91 15.778 -20.992 10.000 1.00 34.33 C ATOM 1417 O GLU A 91 14.607 -20.743 9.713 1.00 12.44 O ATOM 1418 CB GLU A 91 15.650 -20.216 12.376 1.00 33.13 C ATOM 1419 CG GLU A 91 16.441 -19.891 13.631 1.00 21.12 C ATOM 1420 CD GLU A 91 16.276 -20.942 14.713 1.00 24.32 C ATOM 1421 OE1 GLU A 91 16.879 -22.027 14.582 1.00 0.55 O1- ATOM 1422 OE2 GLU A 91 15.545 -20.677 15.690 1.00 51.55 O ATOM 0 H GLU A 91 15.944 -18.290 10.483 1.00 65.45 H new ATOM 0 HA GLU A 91 17.447 -20.709 11.305 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.844 -19.490 12.267 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.184 -21.194 12.494 1.00 33.13 H new ATOM 0 HG2 GLU A 91 17.497 -19.799 13.377 1.00 21.12 H new ATOM 0 HG3 GLU A 91 16.121 -18.923 14.018 1.00 21.12 H new ATOM 1429 N VAL A 92 16.488 -21.935 9.388 1.00 4.22 N ATOM 1430 CA VAL A 92 15.920 -22.748 8.319 1.00 10.32 C ATOM 1431 C VAL A 92 15.844 -24.215 8.727 1.00 5.13 C ATOM 1432 O VAL A 92 16.759 -24.741 9.361 1.00 24.13 O ATOM 1433 CB VAL A 92 16.743 -22.627 7.023 1.00 74.54 C ATOM 1434 CG1 VAL A 92 16.475 -21.294 6.342 1.00 44.34 C ATOM 1435 CG2 VAL A 92 18.227 -22.795 7.318 1.00 24.44 C ATOM 0 H VAL A 92 17.458 -22.155 9.615 1.00 4.22 H new ATOM 0 HA VAL A 92 14.913 -22.372 8.136 1.00 10.32 H new ATOM 0 HB VAL A 92 16.437 -23.422 6.343 1.00 74.54 H new ATOM 0 HG11 VAL A 92 17.065 -21.227 5.428 1.00 44.34 H new ATOM 0 HG12 VAL A 92 15.416 -21.217 6.096 1.00 44.34 H new ATOM 0 HG13 VAL A 92 16.751 -20.481 7.013 1.00 44.34 H new ATOM 0 HG21 VAL A 92 18.794 -22.707 6.392 1.00 24.44 H new ATOM 0 HG22 VAL A 92 18.549 -22.022 8.016 1.00 24.44 H new ATOM 0 HG23 VAL A 92 18.402 -23.777 7.758 1.00 24.44 H new ATOM 1445 N ASP A 93 14.749 -24.869 8.358 1.00 5.23 N ATOM 1446 CA ASP A 93 14.555 -26.278 8.683 1.00 71.33 C ATOM 1447 C ASP A 93 14.098 -27.061 7.454 1.00 3.43 C ATOM 1448 O ASP A 93 12.996 -26.853 6.948 1.00 70.13 O ATOM 1449 CB ASP A 93 13.530 -26.426 9.808 1.00 63.55 C ATOM 1450 CG ASP A 93 13.784 -25.467 10.953 1.00 64.33 C ATOM 1451 OD1 ASP A 93 14.817 -25.622 11.639 1.00 3.05 O ATOM 1452 OD2 ASP A 93 12.952 -24.561 11.164 1.00 61.15 O1- ATOM 0 H ASP A 93 13.982 -24.447 7.834 1.00 5.23 H new ATOM 0 HA ASP A 93 15.510 -26.685 9.016 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.530 -26.254 9.409 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.552 -27.449 10.183 1.00 63.55 H new ATOM 1457 N GLY A 94 14.955 -27.961 6.981 1.00 62.44 N ATOM 1458 CA GLY A 94 14.621 -28.760 5.816 1.00 54.13 C ATOM 1459 C GLY A 94 15.826 -29.483 5.246 1.00 34.44 C ATOM 1460 O GLY A 94 16.963 -29.191 5.612 1.00 31.24 O ATOM 0 H GLY A 94 15.873 -28.151 7.383 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.857 -29.489 6.086 1.00 54.13 H new ATOM 0 HA3 GLY A 94 14.190 -28.117 5.049 1.00 54.13 H new ATOM 1464 N GLN A 95 15.574 -30.429 4.347 1.00 20.11 N ATOM 1465 CA GLN A 95 16.647 -31.198 3.727 1.00 74.11 C ATOM 1466 C GLN A 95 17.646 -30.276 3.034 1.00 14.41 C ATOM 1467 O GLN A 95 17.288 -29.525 2.127 1.00 70.12 O ATOM 1468 CB GLN A 95 16.073 -32.195 2.721 1.00 43.12 C ATOM 1469 CG GLN A 95 16.472 -33.636 2.997 1.00 5.44 C ATOM 1470 CD GLN A 95 17.950 -33.785 3.300 1.00 62.14 C ATOM 1471 OE1 GLN A 95 18.367 -33.738 4.457 1.00 52.20 O ATOM 1472 NE2 GLN A 95 18.753 -33.965 2.257 1.00 15.42 N ATOM 0 H GLN A 95 14.637 -30.681 4.032 1.00 20.11 H new ATOM 0 HA GLN A 95 17.169 -31.745 4.512 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.986 -32.120 2.728 1.00 43.12 H new ATOM 0 HB3 GLN A 95 16.405 -31.920 1.720 1.00 43.12 H new ATOM 0 HG2 GLN A 95 15.893 -34.014 3.839 1.00 5.44 H new ATOM 0 HG3 GLN A 95 16.218 -34.251 2.134 1.00 5.44 H new ATOM 0 HE21 GLN A 95 18.365 -33.998 1.314 1.00 15.42 H new ATOM 0 HE22 GLN A 95 19.758 -34.071 2.399 1.00 15.42 H new ATOM 1481 N VAL A 96 18.901 -30.338 3.468 1.00 3.03 N ATOM 1482 CA VAL A 96 19.952 -29.511 2.889 1.00 31.30 C ATOM 1483 C VAL A 96 19.836 -29.457 1.369 1.00 11.34 C ATOM 1484 O VAL A 96 19.976 -28.396 0.763 1.00 40.02 O ATOM 1485 CB VAL A 96 21.351 -30.032 3.269 1.00 72.23 C ATOM 1486 CG1 VAL A 96 22.432 -29.125 2.700 1.00 73.33 C ATOM 1487 CG2 VAL A 96 21.483 -30.150 4.779 1.00 14.52 C ATOM 0 H VAL A 96 19.214 -30.953 4.219 1.00 3.03 H new ATOM 0 HA VAL A 96 19.824 -28.508 3.295 1.00 31.30 H new ATOM 0 HB VAL A 96 21.479 -31.025 2.837 1.00 72.23 H new ATOM 0 HG11 VAL A 96 23.413 -29.509 2.979 1.00 73.33 H new ATOM 0 HG12 VAL A 96 22.349 -29.097 1.614 1.00 73.33 H new ATOM 0 HG13 VAL A 96 22.310 -28.118 3.099 1.00 73.33 H new ATOM 0 HG21 VAL A 96 22.477 -30.519 5.030 1.00 14.52 H new ATOM 0 HG22 VAL A 96 21.334 -29.171 5.235 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.732 -30.844 5.157 1.00 14.52 H new ATOM 1497 N GLU A 97 19.579 -30.612 0.761 1.00 74.25 N ATOM 1498 CA GLU A 97 19.444 -30.696 -0.688 1.00 11.51 C ATOM 1499 C GLU A 97 18.197 -29.957 -1.164 1.00 42.00 C ATOM 1500 O GLU A 97 18.246 -29.183 -2.121 1.00 42.22 O ATOM 1501 CB GLU A 97 19.384 -32.159 -1.133 1.00 74.24 C ATOM 1502 CG GLU A 97 20.557 -32.580 -2.002 1.00 53.13 C ATOM 1503 CD GLU A 97 20.118 -33.195 -3.316 1.00 42.33 C ATOM 1504 OE1 GLU A 97 19.654 -34.355 -3.303 1.00 51.11 O ATOM 1505 OE2 GLU A 97 20.238 -32.518 -4.358 1.00 41.00 O1- ATOM 0 H GLU A 97 19.461 -31.500 1.249 1.00 74.25 H new ATOM 0 HA GLU A 97 20.318 -30.222 -1.136 1.00 11.51 H new ATOM 0 HB2 GLU A 97 19.349 -32.797 -0.250 1.00 74.24 H new ATOM 0 HB3 GLU A 97 18.458 -32.325 -1.683 1.00 74.24 H new ATOM 0 HG2 GLU A 97 21.185 -31.712 -2.203 1.00 53.13 H new ATOM 0 HG3 GLU A 97 21.170 -33.297 -1.456 1.00 53.13 H new ATOM 1512 N LEU A 98 17.079 -30.201 -0.488 1.00 4.22 N ATOM 1513 CA LEU A 98 15.817 -29.559 -0.840 1.00 45.51 C ATOM 1514 C LEU A 98 15.999 -28.054 -1.006 1.00 62.10 C ATOM 1515 O LEU A 98 15.655 -27.488 -2.044 1.00 75.13 O ATOM 1516 CB LEU A 98 14.762 -29.842 0.232 1.00 63.45 C ATOM 1517 CG LEU A 98 13.927 -31.107 0.033 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.720 -30.817 -0.845 1.00 70.31 C ATOM 1519 CD2 LEU A 98 14.775 -32.217 -0.571 1.00 24.12 C ATOM 0 H LEU A 98 17.021 -30.838 0.306 1.00 4.22 H new ATOM 0 HA LEU A 98 15.480 -29.972 -1.791 1.00 45.51 H new ATOM 0 HB2 LEU A 98 15.263 -29.909 1.198 1.00 63.45 H new ATOM 0 HB3 LEU A 98 14.086 -28.988 0.283 1.00 63.45 H new ATOM 0 HG LEU A 98 13.570 -31.440 1.007 1.00 24.15 H new ATOM 0 HD11 LEU A 98 12.138 -31.729 -0.976 1.00 70.31 H new ATOM 0 HD12 LEU A 98 12.100 -30.055 -0.372 1.00 70.31 H new ATOM 0 HD13 LEU A 98 13.056 -30.458 -1.818 1.00 70.31 H new ATOM 0 HD21 LEU A 98 14.164 -33.110 -0.705 1.00 24.12 H new ATOM 0 HD22 LEU A 98 15.163 -31.894 -1.537 1.00 24.12 H new ATOM 0 HD23 LEU A 98 15.606 -32.444 0.096 1.00 24.12 H new ATOM 1531 N ILE A 99 16.542 -27.412 0.023 1.00 14.23 N ATOM 1532 CA ILE A 99 16.773 -25.973 -0.011 1.00 35.14 C ATOM 1533 C ILE A 99 17.909 -25.621 -0.965 1.00 52.03 C ATOM 1534 O ILE A 99 18.071 -24.463 -1.353 1.00 51.23 O ATOM 1535 CB ILE A 99 17.104 -25.423 1.389 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.325 -26.141 1.967 1.00 34.25 C ATOM 1537 CG2 ILE A 99 15.907 -25.576 2.315 1.00 43.42 C ATOM 1538 CD1 ILE A 99 19.639 -25.474 1.620 1.00 52.41 C ATOM 0 H ILE A 99 16.830 -27.865 0.890 1.00 14.23 H new ATOM 0 HA ILE A 99 15.850 -25.513 -0.364 1.00 35.14 H new ATOM 0 HB ILE A 99 17.337 -24.362 1.300 1.00 70.21 H new ATOM 0 HG12 ILE A 99 18.227 -26.191 3.051 1.00 34.25 H new ATOM 0 HG13 ILE A 99 18.340 -27.167 1.601 1.00 34.25 H new ATOM 0 HG21 ILE A 99 16.157 -25.183 3.300 1.00 43.42 H new ATOM 0 HG22 ILE A 99 15.059 -25.024 1.908 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.646 -26.631 2.401 1.00 43.42 H new ATOM 0 HD11 ILE A 99 20.461 -26.037 2.063 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.759 -25.448 0.537 1.00 52.41 H new ATOM 0 HD13 ILE A 99 19.645 -24.456 2.010 1.00 52.41 H new ATOM 1550 N PHE A 100 18.692 -26.626 -1.341 1.00 71.24 N ATOM 1551 CA PHE A 100 19.813 -26.423 -2.251 1.00 72.33 C ATOM 1552 C PHE A 100 19.345 -26.443 -3.703 1.00 42.50 C ATOM 1553 O PHE A 100 20.098 -26.099 -4.615 1.00 71.51 O ATOM 1554 CB PHE A 100 20.878 -27.500 -2.032 1.00 70.10 C ATOM 1555 CG PHE A 100 22.091 -27.330 -2.901 1.00 5.21 C ATOM 1556 CD1 PHE A 100 23.107 -26.463 -2.532 1.00 32.30 C ATOM 1557 CD2 PHE A 100 22.215 -28.037 -4.086 1.00 64.21 C ATOM 1558 CE1 PHE A 100 24.225 -26.304 -3.329 1.00 55.43 C ATOM 1559 CE2 PHE A 100 23.331 -27.882 -4.887 1.00 44.14 C ATOM 1560 CZ PHE A 100 24.336 -27.014 -4.508 1.00 4.43 C ATOM 0 H PHE A 100 18.571 -27.590 -1.030 1.00 71.24 H new ATOM 0 HA PHE A 100 20.247 -25.445 -2.040 1.00 72.33 H new ATOM 0 HB2 PHE A 100 21.186 -27.488 -0.986 1.00 70.10 H new ATOM 0 HB3 PHE A 100 20.438 -28.479 -2.224 1.00 70.10 H new ATOM 0 HD1 PHE A 100 23.024 -25.905 -1.611 1.00 32.30 H new ATOM 0 HD2 PHE A 100 21.431 -28.716 -4.387 1.00 64.21 H new ATOM 0 HE1 PHE A 100 25.010 -25.626 -3.030 1.00 55.43 H new ATOM 0 HE2 PHE A 100 23.417 -28.439 -5.808 1.00 44.14 H new ATOM 0 HZ PHE A 100 25.208 -26.891 -5.133 1.00 4.43 H new ATOM 1570 N LEU A 101 18.097 -26.849 -3.911 1.00 25.32 N ATOM 1571 CA LEU A 101 17.527 -26.915 -5.252 1.00 40.32 C ATOM 1572 C LEU A 101 17.171 -25.522 -5.762 1.00 65.23 C ATOM 1573 O LEU A 101 17.340 -25.221 -6.943 1.00 62.41 O ATOM 1574 CB LEU A 101 16.284 -27.806 -5.254 1.00 25.44 C ATOM 1575 CG LEU A 101 16.470 -29.218 -5.810 1.00 23.22 C ATOM 1576 CD1 LEU A 101 16.536 -29.191 -7.329 1.00 4.34 C ATOM 1577 CD2 LEU A 101 17.724 -29.857 -5.231 1.00 22.30 C ATOM 0 H LEU A 101 17.461 -27.137 -3.168 1.00 25.32 H new ATOM 0 HA LEU A 101 18.275 -27.344 -5.918 1.00 40.32 H new ATOM 0 HB2 LEU A 101 15.917 -27.886 -4.231 1.00 25.44 H new ATOM 0 HB3 LEU A 101 15.506 -27.309 -5.833 1.00 25.44 H new ATOM 0 HG LEU A 101 15.610 -29.819 -5.516 1.00 23.22 H new ATOM 0 HD11 LEU A 101 16.669 -30.205 -7.706 1.00 4.34 H new ATOM 0 HD12 LEU A 101 15.610 -28.775 -7.726 1.00 4.34 H new ATOM 0 HD13 LEU A 101 17.377 -28.574 -7.646 1.00 4.34 H new ATOM 0 HD21 LEU A 101 17.841 -30.862 -5.637 1.00 22.30 H new ATOM 0 HD22 LEU A 101 18.594 -29.255 -5.494 1.00 22.30 H new ATOM 0 HD23 LEU A 101 17.636 -29.912 -4.146 1.00 22.30 H new ATOM 1589 N LEU A 102 16.680 -24.676 -4.862 1.00 30.55 N ATOM 1590 CA LEU A 102 16.302 -23.314 -5.220 1.00 44.41 C ATOM 1591 C LEU A 102 17.510 -22.383 -5.172 1.00 35.10 C ATOM 1592 O LEU A 102 17.422 -21.217 -5.552 1.00 24.35 O ATOM 1593 CB LEU A 102 15.212 -22.802 -4.278 1.00 74.32 C ATOM 1594 CG LEU A 102 13.770 -23.060 -4.717 1.00 21.44 C ATOM 1595 CD1 LEU A 102 13.590 -24.511 -5.132 1.00 14.34 C ATOM 1596 CD2 LEU A 102 12.800 -22.699 -3.601 1.00 31.25 C ATOM 0 H LEU A 102 16.535 -24.910 -3.880 1.00 30.55 H new ATOM 0 HA LEU A 102 15.916 -23.326 -6.239 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.360 -23.260 -3.300 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.345 -21.728 -4.150 1.00 74.32 H new ATOM 0 HG LEU A 102 13.554 -22.428 -5.578 1.00 21.44 H new ATOM 0 HD11 LEU A 102 12.558 -24.676 -5.441 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.258 -24.737 -5.963 1.00 14.34 H new ATOM 0 HD13 LEU A 102 13.825 -25.162 -4.290 1.00 14.34 H new ATOM 0 HD21 LEU A 102 11.779 -22.889 -3.931 1.00 31.25 H new ATOM 0 HD22 LEU A 102 13.016 -23.305 -2.721 1.00 31.25 H new ATOM 0 HD23 LEU A 102 12.910 -21.644 -3.350 1.00 31.25 H new ATOM 1608 N GLU A 103 18.638 -22.910 -4.703 1.00 43.15 N ATOM 1609 CA GLU A 103 19.863 -22.125 -4.606 1.00 3.21 C ATOM 1610 C GLU A 103 20.347 -21.699 -5.989 1.00 63.23 C ATOM 1611 O GLU A 103 20.582 -20.521 -6.257 1.00 12.34 O ATOM 1612 CB GLU A 103 20.955 -22.930 -3.897 1.00 45.21 C ATOM 1613 CG GLU A 103 21.066 -22.629 -2.412 1.00 43.34 C ATOM 1614 CD GLU A 103 22.298 -23.247 -1.781 1.00 35.30 C ATOM 1615 OE1 GLU A 103 23.378 -23.184 -2.405 1.00 3.05 O ATOM 1616 OE2 GLU A 103 22.182 -23.794 -0.665 1.00 12.12 O1- ATOM 0 H GLU A 103 18.728 -23.875 -4.385 1.00 43.15 H new ATOM 0 HA GLU A 103 19.646 -21.229 -4.024 1.00 3.21 H new ATOM 0 HB2 GLU A 103 20.755 -23.993 -4.030 1.00 45.21 H new ATOM 0 HB3 GLU A 103 21.914 -22.724 -4.373 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.090 -21.549 -2.265 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.177 -23.000 -1.903 1.00 43.34 H new ATOM 1623 N PRO A 104 20.499 -22.681 -6.891 1.00 1.41 N ATOM 1624 CA PRO A 104 20.956 -22.433 -8.261 1.00 73.13 C ATOM 1625 C PRO A 104 19.914 -21.696 -9.096 1.00 4.23 C ATOM 1626 O PRO A 104 20.190 -21.270 -10.217 1.00 22.01 O ATOM 1627 CB PRO A 104 21.188 -23.841 -8.817 1.00 53.34 C ATOM 1628 CG PRO A 104 20.291 -24.718 -8.014 1.00 15.34 C ATOM 1629 CD PRO A 104 20.237 -24.108 -6.641 1.00 52.44 C ATOM 0 HA PRO A 104 21.841 -21.798 -8.287 1.00 73.13 H new ATOM 0 HB2 PRO A 104 20.945 -23.892 -9.878 1.00 53.34 H new ATOM 0 HB3 PRO A 104 22.231 -24.141 -8.714 1.00 53.34 H new ATOM 0 HG2 PRO A 104 19.297 -24.770 -8.457 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.676 -25.737 -7.973 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.266 -24.262 -6.171 1.00 52.44 H new ATOM 0 HD3 PRO A 104 20.985 -24.544 -5.978 1.00 52.44 H new ATOM 1637 N PHE A 105 18.715 -21.549 -8.541 1.00 2.15 N ATOM 1638 CA PHE A 105 17.631 -20.865 -9.235 1.00 32.10 C ATOM 1639 C PHE A 105 17.549 -19.402 -8.805 1.00 31.15 C ATOM 1640 O PHE A 105 16.930 -18.580 -9.481 1.00 64.30 O ATOM 1641 CB PHE A 105 16.298 -21.564 -8.959 1.00 54.33 C ATOM 1642 CG PHE A 105 16.278 -23.004 -9.383 1.00 41.41 C ATOM 1643 CD1 PHE A 105 17.058 -23.440 -10.442 1.00 74.43 C ATOM 1644 CD2 PHE A 105 15.480 -23.923 -8.722 1.00 1.41 C ATOM 1645 CE1 PHE A 105 17.044 -24.765 -10.834 1.00 11.53 C ATOM 1646 CE2 PHE A 105 15.460 -25.250 -9.109 1.00 3.32 C ATOM 1647 CZ PHE A 105 16.242 -25.671 -10.168 1.00 12.30 C ATOM 0 H PHE A 105 18.470 -21.894 -7.613 1.00 2.15 H new ATOM 0 HA PHE A 105 17.837 -20.901 -10.305 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.079 -21.504 -7.893 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.502 -21.030 -9.478 1.00 54.33 H new ATOM 0 HD1 PHE A 105 17.685 -22.735 -10.968 1.00 74.43 H new ATOM 0 HD2 PHE A 105 14.866 -23.599 -7.895 1.00 1.41 H new ATOM 0 HE1 PHE A 105 17.659 -25.091 -11.660 1.00 11.53 H new ATOM 0 HE2 PHE A 105 14.834 -25.957 -8.585 1.00 3.32 H new ATOM 0 HZ PHE A 105 16.226 -26.707 -10.474 1.00 12.30 H new ATOM 1657 N ILE A 106 18.178 -19.087 -7.678 1.00 24.22 N ATOM 1658 CA ILE A 106 18.176 -17.725 -7.159 1.00 75.54 C ATOM 1659 C ILE A 106 18.688 -16.738 -8.203 1.00 2.34 C ATOM 1660 O ILE A 106 18.078 -15.695 -8.435 1.00 3.54 O ATOM 1661 CB ILE A 106 19.042 -17.605 -5.890 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.312 -18.213 -4.690 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.392 -16.149 -5.623 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.243 -18.732 -3.616 1.00 25.24 C ATOM 0 H ILE A 106 18.695 -19.756 -7.107 1.00 24.22 H new ATOM 0 HA ILE A 106 17.143 -17.484 -6.909 1.00 75.54 H new ATOM 0 HB ILE A 106 19.969 -18.157 -6.046 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.654 -17.460 -4.256 1.00 1.44 H new ATOM 0 HG13 ILE A 106 17.678 -19.030 -5.036 1.00 1.44 H new ATOM 0 HG21 ILE A 106 20.004 -16.081 -4.723 1.00 24.41 H new ATOM 0 HG22 ILE A 106 19.947 -15.747 -6.471 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.476 -15.574 -5.483 1.00 24.41 H new ATOM 0 HD11 ILE A 106 18.657 -19.148 -2.797 1.00 25.24 H new ATOM 0 HD12 ILE A 106 19.884 -19.508 -4.034 1.00 25.24 H new ATOM 0 HD13 ILE A 106 19.859 -17.914 -3.242 1.00 25.24 H new ATOM 1676 N ALA A 107 19.809 -17.076 -8.831 1.00 3.35 N ATOM 1677 CA ALA A 107 20.399 -16.222 -9.853 1.00 34.20 C ATOM 1678 C ALA A 107 19.442 -16.025 -11.024 1.00 53.41 C ATOM 1679 O ALA A 107 19.372 -14.942 -11.605 1.00 32.33 O ATOM 1680 CB ALA A 107 21.715 -16.812 -10.339 1.00 64.22 C ATOM 0 H ALA A 107 20.327 -17.936 -8.649 1.00 3.35 H new ATOM 0 HA ALA A 107 20.593 -15.246 -9.408 1.00 34.20 H new ATOM 0 HB1 ALA A 107 22.145 -16.163 -11.102 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.408 -16.895 -9.502 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.536 -17.801 -10.762 1.00 64.22 H new ATOM 1686 N SER A 108 18.706 -17.078 -11.364 1.00 21.15 N ATOM 1687 CA SER A 108 17.755 -17.021 -12.469 1.00 44.42 C ATOM 1688 C SER A 108 16.832 -15.815 -12.330 1.00 32.13 C ATOM 1689 O SER A 108 16.367 -15.256 -13.324 1.00 64.31 O ATOM 1690 CB SER A 108 16.929 -18.307 -12.524 1.00 55.01 C ATOM 1691 OG SER A 108 17.701 -19.427 -12.130 1.00 5.42 O ATOM 0 H SER A 108 18.749 -17.981 -10.891 1.00 21.15 H new ATOM 0 HA SER A 108 18.318 -16.919 -13.397 1.00 44.42 H new ATOM 0 HB2 SER A 108 16.060 -18.213 -11.872 1.00 55.01 H new ATOM 0 HB3 SER A 108 16.553 -18.458 -13.536 1.00 55.01 H new ATOM 0 HG SER A 108 17.205 -20.250 -12.323 1.00 5.42 H new ATOM 1697 N LEU A 109 16.570 -15.418 -11.089 1.00 35.14 N ATOM 1698 CA LEU A 109 15.703 -14.277 -10.817 1.00 3.21 C ATOM 1699 C LEU A 109 16.306 -12.990 -11.371 1.00 12.12 C ATOM 1700 O LEU A 109 17.454 -12.971 -11.814 1.00 20.34 O ATOM 1701 CB LEU A 109 15.467 -14.138 -9.313 1.00 34.14 C ATOM 1702 CG LEU A 109 14.982 -15.395 -8.589 1.00 61.52 C ATOM 1703 CD1 LEU A 109 14.633 -15.079 -7.143 1.00 33.34 C ATOM 1704 CD2 LEU A 109 13.784 -15.997 -9.310 1.00 5.32 C ATOM 0 H LEU A 109 16.946 -15.870 -10.255 1.00 35.14 H new ATOM 0 HA LEU A 109 14.748 -14.451 -11.313 1.00 3.21 H new ATOM 0 HB2 LEU A 109 16.398 -13.812 -8.848 1.00 34.14 H new ATOM 0 HB3 LEU A 109 14.736 -13.346 -9.152 1.00 34.14 H new ATOM 0 HG LEU A 109 15.789 -16.127 -8.594 1.00 61.52 H new ATOM 0 HD11 LEU A 109 14.290 -15.986 -6.645 1.00 33.34 H new ATOM 0 HD12 LEU A 109 15.516 -14.695 -6.631 1.00 33.34 H new ATOM 0 HD13 LEU A 109 13.843 -14.329 -7.115 1.00 33.34 H new ATOM 0 HD21 LEU A 109 13.452 -16.890 -8.781 1.00 5.32 H new ATOM 0 HD22 LEU A 109 12.973 -15.270 -9.338 1.00 5.32 H new ATOM 0 HD23 LEU A 109 14.068 -16.263 -10.328 1.00 5.32 H new ATOM 1716 N LYS A 110 15.525 -11.915 -11.339 1.00 61.55 N ATOM 1717 CA LYS A 110 15.982 -10.622 -11.833 1.00 50.13 C ATOM 1718 C LYS A 110 16.425 -9.725 -10.682 1.00 22.31 C ATOM 1719 O LYS A 110 17.615 -9.442 -10.563 1.00 42.22 O ATOM 1720 CB LYS A 110 14.869 -9.936 -12.630 1.00 44.41 C ATOM 1721 CG LYS A 110 15.236 -9.669 -14.079 1.00 44.45 C ATOM 1722 CD LYS A 110 14.101 -10.036 -15.019 1.00 34.11 C ATOM 1723 CE LYS A 110 13.267 -8.819 -15.389 1.00 5.35 C ATOM 1724 NZ LYS A 110 13.276 -8.565 -16.856 1.00 30.41 N1+ ATOM 0 H LYS A 110 14.572 -11.914 -10.976 1.00 61.55 H new ATOM 0 HA LYS A 110 16.837 -10.792 -12.487 1.00 50.13 H new ATOM 0 HB2 LYS A 110 13.975 -10.558 -12.599 1.00 44.41 H new ATOM 0 HB3 LYS A 110 14.617 -8.992 -12.148 1.00 44.41 H new ATOM 0 HG2 LYS A 110 15.486 -8.615 -14.204 1.00 44.45 H new ATOM 0 HG3 LYS A 110 16.126 -10.241 -14.341 1.00 44.45 H new ATOM 0 HD2 LYS A 110 14.508 -10.488 -15.924 1.00 34.11 H new ATOM 0 HD3 LYS A 110 13.464 -10.785 -14.547 1.00 34.11 H new ATOM 0 HE2 LYS A 110 12.241 -8.966 -15.052 1.00 5.35 H new ATOM 0 HE3 LYS A 110 13.651 -7.943 -14.867 1.00 5.35 H new ATOM 0 HZ1 LYS A 110 12.696 -7.728 -17.067 1.00 30.41 H new ATOM 0 HZ2 LYS A 110 14.252 -8.399 -17.174 1.00 30.41 H new ATOM 0 HZ3 LYS A 110 12.886 -9.391 -17.354 1.00 30.41 H new TER 1738 LYS A 110 HETATM 1739 C1 PLM A 200 10.155 -27.694 -10.118 1.00 74.02 C HETATM 1740 O1 PLM A 200 9.116 -27.356 -9.303 1.00 23.33 O HETATM 1741 O2 PLM A 200 10.043 -28.457 -11.072 1.00 34.01 O HETATM 1742 C2 PLM A 200 11.493 -27.019 -9.711 1.00 54.31 C HETATM 1743 C3 PLM A 200 11.547 -25.556 -10.273 1.00 13.24 C HETATM 1744 C4 PLM A 200 10.971 -24.473 -9.331 1.00 51.32 C HETATM 1745 C5 PLM A 200 11.775 -24.351 -8.023 1.00 43.34 C HETATM 1746 C6 PLM A 200 11.499 -23.022 -7.295 1.00 53.20 C HETATM 1747 C7 PLM A 200 12.403 -21.881 -7.799 1.00 14.42 C HETATM 1748 C8 PLM A 200 12.271 -20.609 -6.939 1.00 54.50 C HETATM 1749 C9 PLM A 200 13.642 -20.045 -6.517 1.00 71.14 C HETATM 1750 CA PLM A 200 13.697 -19.533 -5.062 1.00 3.31 C HETATM 1751 CB PLM A 200 15.111 -19.011 -4.744 1.00 12.32 C HETATM 1752 CC PLM A 200 14.971 -18.122 -3.347 1.00 52.33 C HETATM 1753 CD PLM A 200 15.160 -19.015 -2.106 1.00 43.24 C HETATM 1754 CE PLM A 200 16.566 -19.642 -2.048 1.00 12.22 C HETATM 1755 CF PLM A 200 16.708 -20.647 -0.891 1.00 51.53 C HETATM 1756 CG PLM A 200 17.627 -21.818 -1.261 1.00 5.21 C HETATM 0 HG3 PLM A 200 17.216 -22.345 -2.122 1.00 5.21 H new HETATM 0 HG2 PLM A 200 18.619 -21.439 -1.507 1.00 5.21 H new HETATM 0 HG1 PLM A 200 17.700 -22.504 -0.417 1.00 5.21 H new HETATM 0 HF2 PLM A 200 17.105 -20.137 -0.014 1.00 51.53 H new HETATM 0 HF1 PLM A 200 15.724 -21.029 -0.619 1.00 51.53 H new HETATM 0 HE2 PLM A 200 16.777 -20.145 -2.992 1.00 12.22 H new HETATM 0 HE1 PLM A 200 17.309 -18.853 -1.935 1.00 12.22 H new HETATM 0 HD2 PLM A 200 14.990 -18.424 -1.206 1.00 43.24 H new HETATM 0 HD1 PLM A 200 14.411 -19.807 -2.113 1.00 43.24 H new HETATM 0 HC2 PLM A 200 15.714 -17.325 -3.343 1.00 52.33 H new HETATM 0 HC1 PLM A 200 13.991 -17.645 -3.311 1.00 52.33 H new HETATM 0 HB2 PLM A 200 15.811 -19.836 -4.612 1.00 12.32 H new HETATM 0 HB1 PLM A 200 15.492 -18.397 -5.560 1.00 12.32 H new HETATM 0 HA2 PLM A 200 12.965 -18.738 -4.919 1.00 3.31 H new HETATM 0 HA1 PLM A 200 13.433 -20.336 -4.374 1.00 3.31 H new HETATM 0 H92 PLM A 200 14.396 -20.821 -6.646 1.00 71.14 H new HETATM 0 H91 PLM A 200 13.908 -19.228 -7.188 1.00 71.14 H new HETATM 0 H82 PLM A 200 11.725 -19.850 -7.498 1.00 54.50 H new HETATM 0 H81 PLM A 200 11.683 -20.834 -6.049 1.00 54.50 H new HETATM 0 H72 PLM A 200 13.441 -22.214 -7.795 1.00 14.42 H new HETATM 0 H71 PLM A 200 12.147 -21.647 -8.832 1.00 14.42 H new HETATM 0 H62 PLM A 200 10.454 -22.744 -7.435 1.00 53.20 H new HETATM 0 H61 PLM A 200 11.652 -23.158 -6.224 1.00 53.20 H new HETATM 0 H52 PLM A 200 11.524 -25.183 -7.365 1.00 43.34 H new HETATM 0 H51 PLM A 200 12.840 -24.429 -8.244 1.00 43.34 H new HETATM 0 H42 PLM A 200 10.968 -23.512 -9.845 1.00 51.32 H new HETATM 0 H41 PLM A 200 9.934 -24.712 -9.097 1.00 51.32 H new HETATM 0 H32 PLM A 200 12.584 -25.307 -10.497 1.00 13.24 H new HETATM 0 H31 PLM A 200 11.001 -25.524 -11.216 1.00 13.24 H new HETATM 0 H22 PLM A 200 11.587 -27.004 -8.625 1.00 54.31 H new HETATM 0 H21 PLM A 200 12.333 -27.597 -10.096 1.00 54.31 H new HETATM 0 H PLM A 200 8.973 -28.067 -8.643 1.00 23.33 H new