USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1082 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 118 GLN : amide:sc= 0.497 K(o=1.3,f=-0.6) USER MOD Set 1.2: A 121 LYS NZ :NH3+ -173:sc= 0.793 (180deg=0.112) USER MOD Set 2.1: A 46 THR OG1 : rot 180:sc= -0.846 USER MOD Set 2.2: A 56 GLN : amide:sc= 0.00905 X(o=-0.84,f=-0.86) USER MOD Set 3.1: A 18 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.3) USER MOD Set 3.2: A 22 SER OG : rot -160:sc= 0 USER MOD Set 4.1: A 13 ASN : amide:sc= -0.668 K(o=-0.73,f=-4.9!) USER MOD Set 4.2: A 15 THR OG1 : rot 174:sc= -0.0619 USER MOD Set 5.1: A 3 LYS NZ :NH3+ -164:sc= 0.663 (180deg=0.38) USER MOD Set 5.2: A 77 ASN : amide:sc= 0.852 K(o=1.5,f=-0.044) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0296 (180deg=-0.226) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0552) USER MOD Single : A 2 LYS NZ :NH3+ -165:sc= -0.035 (180deg=-0.327) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0817 K(o=-0.082,f=-0.61) USER MOD Single : A 10 TYR OH : rot -2:sc= 0.723 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0174) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -8:sc= 0.219 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 158:sc= -0.712 (180deg=-1.48!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 SER OG : rot -130:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.0648 X(o=-0.065,f=-0.13) USER MOD Single : A 81 TYR OH : rot -143:sc= -0.668 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 149:sc= -1.08 (180deg=-2.79!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0394 USER MOD Single : A 89 ASN : amide:sc= -3.4! K(o=-3.4!,f=-0.1) USER MOD Single : A 92 THR OG1 : rot -98:sc= 0.394 USER MOD Single : A 95 TYR OH : rot 15:sc= 0 USER MOD Single : A 100 THR OG1 : rot 24:sc= 0.233 USER MOD Single : A 103 SER OG : rot 88:sc= 0.267 USER MOD Single : A 112 LYS NZ :NH3+ -114:sc= 0.321 (180deg=0.113) USER MOD Single : A 117 SER OG : rot 82:sc= 1.14 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 83:sc= 0.824 USER MOD Single : A 126 CYS SG : rot -44:sc= -0.0361 USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 132 HIS : no HD1:sc= -0.564 K(o=-0.56,f=-1.6!) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 HIS : no HD1:sc= -0.0541 X(o=-0.054,f=-0.0036) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.792 23.692 -2.927 1.00 30.30 N ATOM 2 CA MET A 1 -3.006 23.760 -3.795 1.00 12.43 C ATOM 3 C MET A 1 -3.179 22.486 -4.650 1.00 2.52 C ATOM 4 O MET A 1 -4.307 22.065 -4.922 1.00 21.23 O ATOM 5 CB MET A 1 -2.947 25.011 -4.710 1.00 53.31 C ATOM 6 CG MET A 1 -2.977 26.348 -3.953 1.00 31.22 C ATOM 7 SD MET A 1 -4.452 26.531 -2.921 1.00 44.45 S ATOM 8 CE MET A 1 -5.779 26.488 -4.134 1.00 62.51 C ATOM 0 H1 MET A 1 -1.760 24.528 -2.309 1.00 30.30 H new ATOM 0 H2 MET A 1 -1.830 22.832 -2.344 1.00 30.30 H new ATOM 0 H3 MET A 1 -0.940 23.669 -3.523 1.00 30.30 H new ATOM 0 HA MET A 1 -3.871 23.835 -3.136 1.00 12.43 H new ATOM 0 HB2 MET A 1 -2.038 24.966 -5.309 1.00 53.31 H new ATOM 0 HB3 MET A 1 -3.788 24.980 -5.403 1.00 53.31 H new ATOM 0 HG2 MET A 1 -2.088 26.427 -3.327 1.00 31.22 H new ATOM 0 HG3 MET A 1 -2.936 27.168 -4.670 1.00 31.22 H new ATOM 0 HE1 MET A 1 -6.708 26.818 -3.669 1.00 62.51 H new ATOM 0 HE2 MET A 1 -5.534 27.150 -4.965 1.00 62.51 H new ATOM 0 HE3 MET A 1 -5.900 25.470 -4.505 1.00 62.51 H new ATOM 20 N LYS A 2 -2.054 21.890 -5.094 1.00 11.41 N ATOM 21 CA LYS A 2 -2.065 20.666 -5.933 1.00 40.22 C ATOM 22 C LYS A 2 -1.740 19.431 -5.071 1.00 2.00 C ATOM 23 O LYS A 2 -0.563 19.196 -4.751 1.00 61.00 O ATOM 24 CB LYS A 2 -1.051 20.754 -7.115 1.00 73.03 C ATOM 25 CG LYS A 2 -1.128 22.036 -7.985 1.00 5.40 C ATOM 26 CD LYS A 2 -0.347 23.230 -7.380 1.00 55.53 C ATOM 27 CE LYS A 2 -0.265 24.426 -8.334 1.00 43.32 C ATOM 28 NZ LYS A 2 0.413 24.074 -9.614 1.00 25.32 N ATOM 0 H LYS A 2 -1.118 22.237 -4.885 1.00 11.41 H new ATOM 0 HA LYS A 2 -3.065 20.574 -6.356 1.00 40.22 H new ATOM 0 HB2 LYS A 2 -0.043 20.675 -6.709 1.00 73.03 H new ATOM 0 HB3 LYS A 2 -1.203 19.890 -7.762 1.00 73.03 H new ATOM 0 HG2 LYS A 2 -0.735 21.818 -8.978 1.00 5.40 H new ATOM 0 HG3 LYS A 2 -2.173 22.320 -8.111 1.00 5.40 H new ATOM 0 HD2 LYS A 2 -0.829 23.542 -6.453 1.00 55.53 H new ATOM 0 HD3 LYS A 2 0.661 22.906 -7.122 1.00 55.53 H new ATOM 0 HE2 LYS A 2 -1.270 24.791 -8.545 1.00 43.32 H new ATOM 0 HE3 LYS A 2 0.275 25.240 -7.850 1.00 43.32 H new ATOM 0 HZ1 LYS A 2 0.675 24.945 -10.119 1.00 25.32 H new ATOM 0 HZ2 LYS A 2 1.269 23.519 -9.412 1.00 25.32 H new ATOM 0 HZ3 LYS A 2 -0.232 23.512 -10.205 1.00 25.32 H new ATOM 42 N LYS A 3 -2.792 18.679 -4.677 1.00 22.42 N ATOM 43 CA LYS A 3 -2.682 17.418 -3.899 1.00 65.32 C ATOM 44 C LYS A 3 -2.175 17.624 -2.442 1.00 21.24 C ATOM 45 O LYS A 3 -1.308 18.458 -2.163 1.00 14.42 O ATOM 46 CB LYS A 3 -1.809 16.360 -4.637 1.00 34.42 C ATOM 47 CG LYS A 3 -2.403 15.810 -5.969 1.00 44.11 C ATOM 48 CD LYS A 3 -3.316 14.582 -5.764 1.00 22.14 C ATOM 49 CE LYS A 3 -3.585 13.793 -7.055 1.00 2.13 C ATOM 50 NZ LYS A 3 -4.518 12.653 -6.819 1.00 15.44 N ATOM 0 H LYS A 3 -3.756 18.932 -4.892 1.00 22.42 H new ATOM 0 HA LYS A 3 -3.701 17.039 -3.822 1.00 65.32 H new ATOM 0 HB2 LYS A 3 -0.835 16.802 -4.849 1.00 34.42 H new ATOM 0 HB3 LYS A 3 -1.638 15.521 -3.962 1.00 34.42 H new ATOM 0 HG2 LYS A 3 -2.972 16.600 -6.460 1.00 44.11 H new ATOM 0 HG3 LYS A 3 -1.587 15.541 -6.640 1.00 44.11 H new ATOM 0 HD2 LYS A 3 -2.858 13.918 -5.031 1.00 22.14 H new ATOM 0 HD3 LYS A 3 -4.267 14.912 -5.345 1.00 22.14 H new ATOM 0 HE2 LYS A 3 -4.007 14.459 -7.808 1.00 2.13 H new ATOM 0 HE3 LYS A 3 -2.643 13.416 -7.455 1.00 2.13 H new ATOM 0 HZ1 LYS A 3 -4.468 11.992 -7.620 1.00 15.44 H new ATOM 0 HZ2 LYS A 3 -4.248 12.158 -5.945 1.00 15.44 H new ATOM 0 HZ3 LYS A 3 -5.489 13.013 -6.727 1.00 15.44 H new ATOM 64 N GLU A 4 -2.754 16.850 -1.524 1.00 15.34 N ATOM 65 CA GLU A 4 -2.299 16.757 -0.122 1.00 42.31 C ATOM 66 C GLU A 4 -1.661 15.374 0.113 1.00 22.24 C ATOM 67 O GLU A 4 -2.302 14.353 -0.152 1.00 5.13 O ATOM 68 CB GLU A 4 -3.504 16.941 0.847 1.00 65.12 C ATOM 69 CG GLU A 4 -3.145 16.814 2.355 1.00 42.42 C ATOM 70 CD GLU A 4 -4.352 16.656 3.307 1.00 72.22 C ATOM 71 OE1 GLU A 4 -5.498 16.438 2.845 1.00 60.43 O ATOM 72 OE2 GLU A 4 -4.155 16.715 4.538 1.00 4.22 O ATOM 0 H GLU A 4 -3.561 16.261 -1.727 1.00 15.34 H new ATOM 0 HA GLU A 4 -1.567 17.542 0.069 1.00 42.31 H new ATOM 0 HB2 GLU A 4 -3.947 17.922 0.673 1.00 65.12 H new ATOM 0 HB3 GLU A 4 -4.265 16.200 0.604 1.00 65.12 H new ATOM 0 HG2 GLU A 4 -2.486 15.956 2.484 1.00 42.42 H new ATOM 0 HG3 GLU A 4 -2.580 17.697 2.653 1.00 42.42 H new ATOM 79 N LYS A 5 -0.410 15.328 0.603 1.00 72.31 N ATOM 80 CA LYS A 5 0.209 14.054 1.013 1.00 71.34 C ATOM 81 C LYS A 5 -0.440 13.577 2.333 1.00 2.11 C ATOM 82 O LYS A 5 -0.503 14.333 3.314 1.00 73.31 O ATOM 83 CB LYS A 5 1.740 14.185 1.198 1.00 13.34 C ATOM 84 CG LYS A 5 2.439 12.828 1.478 1.00 70.33 C ATOM 85 CD LYS A 5 3.877 12.970 2.013 1.00 23.54 C ATOM 86 CE LYS A 5 3.934 13.715 3.361 1.00 43.10 C ATOM 87 NZ LYS A 5 5.292 13.696 3.955 1.00 51.12 N ATOM 0 H LYS A 5 0.186 16.147 0.724 1.00 72.31 H new ATOM 0 HA LYS A 5 0.038 13.325 0.221 1.00 71.34 H new ATOM 0 HB2 LYS A 5 2.171 14.631 0.302 1.00 13.34 H new ATOM 0 HB3 LYS A 5 1.943 14.868 2.023 1.00 13.34 H new ATOM 0 HG2 LYS A 5 1.846 12.266 2.200 1.00 70.33 H new ATOM 0 HG3 LYS A 5 2.459 12.243 0.558 1.00 70.33 H new ATOM 0 HD2 LYS A 5 4.317 11.980 2.130 1.00 23.54 H new ATOM 0 HD3 LYS A 5 4.483 13.504 1.281 1.00 23.54 H new ATOM 0 HE2 LYS A 5 3.617 14.748 3.217 1.00 43.10 H new ATOM 0 HE3 LYS A 5 3.229 13.259 4.056 1.00 43.10 H new ATOM 0 HZ1 LYS A 5 5.282 14.209 4.860 1.00 51.12 H new ATOM 0 HZ2 LYS A 5 5.586 12.712 4.118 1.00 51.12 H new ATOM 0 HZ3 LYS A 5 5.962 14.154 3.305 1.00 51.12 H new ATOM 101 N ILE A 6 -0.908 12.322 2.343 1.00 41.34 N ATOM 102 CA ILE A 6 -1.688 11.732 3.453 1.00 44.32 C ATOM 103 C ILE A 6 -1.088 10.345 3.838 1.00 70.41 C ATOM 104 O ILE A 6 -0.915 9.467 2.986 1.00 33.03 O ATOM 105 CB ILE A 6 -3.231 11.618 3.076 1.00 12.13 C ATOM 106 CG1 ILE A 6 -3.469 10.654 1.866 1.00 53.43 C ATOM 107 CG2 ILE A 6 -3.826 13.018 2.778 1.00 34.41 C ATOM 108 CD1 ILE A 6 -4.908 10.557 1.364 1.00 44.41 C ATOM 0 H ILE A 6 -0.756 11.673 1.571 1.00 41.34 H new ATOM 0 HA ILE A 6 -1.621 12.390 4.319 1.00 44.32 H new ATOM 0 HB ILE A 6 -3.744 11.193 3.939 1.00 12.13 H new ATOM 0 HG12 ILE A 6 -2.837 10.977 1.039 1.00 53.43 H new ATOM 0 HG13 ILE A 6 -3.136 9.656 2.150 1.00 53.43 H new ATOM 0 HG21 ILE A 6 -4.881 12.918 2.523 1.00 34.41 H new ATOM 0 HG22 ILE A 6 -3.724 13.652 3.659 1.00 34.41 H new ATOM 0 HG23 ILE A 6 -3.292 13.470 1.942 1.00 34.41 H new ATOM 0 HD11 ILE A 6 -4.955 9.862 0.525 1.00 44.41 H new ATOM 0 HD12 ILE A 6 -5.551 10.199 2.168 1.00 44.41 H new ATOM 0 HD13 ILE A 6 -5.247 11.541 1.039 1.00 44.41 H new ATOM 120 N HIS A 7 -0.677 10.183 5.108 1.00 51.43 N ATOM 121 CA HIS A 7 -0.196 8.884 5.631 1.00 51.50 C ATOM 122 C HIS A 7 -1.286 8.209 6.506 1.00 44.04 C ATOM 123 O HIS A 7 -1.596 8.662 7.613 1.00 51.40 O ATOM 124 CB HIS A 7 1.158 9.057 6.379 1.00 65.40 C ATOM 125 CG HIS A 7 1.177 10.040 7.518 1.00 73.14 C ATOM 126 ND1 HIS A 7 0.795 9.711 8.797 1.00 73.42 N ATOM 127 CD2 HIS A 7 1.567 11.337 7.574 1.00 43.50 C ATOM 128 CE1 HIS A 7 0.949 10.750 9.585 1.00 30.52 C ATOM 129 NE2 HIS A 7 1.416 11.751 8.873 1.00 34.44 N ATOM 0 H HIS A 7 -0.667 10.936 5.796 1.00 51.43 H new ATOM 0 HA HIS A 7 -0.005 8.213 4.793 1.00 51.50 H new ATOM 0 HB2 HIS A 7 1.461 8.083 6.764 1.00 65.40 H new ATOM 0 HB3 HIS A 7 1.912 9.362 5.653 1.00 65.40 H new ATOM 0 HD2 HIS A 7 1.929 11.933 6.750 1.00 43.50 H new ATOM 0 HE1 HIS A 7 0.729 10.777 10.642 1.00 30.52 H new ATOM 0 HE2 HIS A 7 1.631 12.683 9.228 1.00 34.44 H new ATOM 138 N LEU A 8 -1.880 7.123 5.973 1.00 53.15 N ATOM 139 CA LEU A 8 -3.051 6.447 6.574 1.00 14.24 C ATOM 140 C LEU A 8 -2.603 5.195 7.358 1.00 61.53 C ATOM 141 O LEU A 8 -1.967 4.310 6.790 1.00 61.42 O ATOM 142 CB LEU A 8 -4.087 6.005 5.493 1.00 74.41 C ATOM 143 CG LEU A 8 -4.619 7.094 4.510 1.00 44.42 C ATOM 144 CD1 LEU A 8 -5.080 8.374 5.235 1.00 72.11 C ATOM 145 CD2 LEU A 8 -3.608 7.384 3.382 1.00 64.34 C ATOM 0 H LEU A 8 -1.560 6.686 5.108 1.00 53.15 H new ATOM 0 HA LEU A 8 -3.523 7.167 7.242 1.00 14.24 H new ATOM 0 HB2 LEU A 8 -3.635 5.210 4.900 1.00 74.41 H new ATOM 0 HB3 LEU A 8 -4.944 5.570 6.008 1.00 74.41 H new ATOM 0 HG LEU A 8 -5.512 6.684 4.038 1.00 44.42 H new ATOM 0 HD11 LEU A 8 -5.440 9.097 4.503 1.00 72.11 H new ATOM 0 HD12 LEU A 8 -5.884 8.129 5.929 1.00 72.11 H new ATOM 0 HD13 LEU A 8 -4.242 8.802 5.786 1.00 72.11 H new ATOM 0 HD21 LEU A 8 -4.013 8.147 2.718 1.00 64.34 H new ATOM 0 HD22 LEU A 8 -2.672 7.739 3.814 1.00 64.34 H new ATOM 0 HD23 LEU A 8 -3.423 6.471 2.816 1.00 64.34 H new ATOM 157 N GLU A 9 -2.971 5.116 8.642 1.00 5.23 N ATOM 158 CA GLU A 9 -2.578 4.003 9.536 1.00 33.31 C ATOM 159 C GLU A 9 -3.787 3.083 9.841 1.00 73.33 C ATOM 160 O GLU A 9 -4.914 3.552 10.010 1.00 72.31 O ATOM 161 CB GLU A 9 -1.979 4.587 10.839 1.00 23.15 C ATOM 162 CG GLU A 9 -1.422 3.543 11.829 1.00 5.21 C ATOM 163 CD GLU A 9 -0.864 4.187 13.110 1.00 4.43 C ATOM 164 OE1 GLU A 9 0.179 4.872 13.031 1.00 21.31 O ATOM 165 OE2 GLU A 9 -1.475 4.033 14.193 1.00 53.35 O ATOM 0 H GLU A 9 -3.551 5.820 9.098 1.00 5.23 H new ATOM 0 HA GLU A 9 -1.825 3.391 9.039 1.00 33.31 H new ATOM 0 HB2 GLU A 9 -1.178 5.278 10.575 1.00 23.15 H new ATOM 0 HB3 GLU A 9 -2.749 5.170 11.345 1.00 23.15 H new ATOM 0 HG2 GLU A 9 -2.212 2.840 12.094 1.00 5.21 H new ATOM 0 HG3 GLU A 9 -0.634 2.969 11.342 1.00 5.21 H new ATOM 172 N TYR A 10 -3.528 1.763 9.889 1.00 55.41 N ATOM 173 CA TYR A 10 -4.545 0.714 10.129 1.00 5.15 C ATOM 174 C TYR A 10 -4.014 -0.280 11.181 1.00 1.33 C ATOM 175 O TYR A 10 -2.795 -0.462 11.318 1.00 34.53 O ATOM 176 CB TYR A 10 -4.842 -0.075 8.811 1.00 41.44 C ATOM 177 CG TYR A 10 -5.004 0.791 7.548 1.00 63.23 C ATOM 178 CD1 TYR A 10 -6.227 1.372 7.217 1.00 44.32 C ATOM 179 CD2 TYR A 10 -3.923 1.024 6.689 1.00 11.45 C ATOM 180 CE1 TYR A 10 -6.362 2.148 6.084 1.00 21.53 C ATOM 181 CE2 TYR A 10 -4.057 1.800 5.556 1.00 14.24 C ATOM 182 CZ TYR A 10 -5.274 2.360 5.258 1.00 33.33 C ATOM 183 OH TYR A 10 -5.408 3.135 4.127 1.00 43.42 O ATOM 0 H TYR A 10 -2.589 1.385 9.760 1.00 55.41 H new ATOM 0 HA TYR A 10 -5.459 1.193 10.479 1.00 5.15 H new ATOM 0 HB2 TYR A 10 -4.033 -0.786 8.643 1.00 41.44 H new ATOM 0 HB3 TYR A 10 -5.753 -0.656 8.952 1.00 41.44 H new ATOM 0 HD1 TYR A 10 -7.082 1.212 7.857 1.00 44.32 H new ATOM 0 HD2 TYR A 10 -2.963 0.586 6.918 1.00 11.45 H new ATOM 0 HE1 TYR A 10 -7.318 2.590 5.843 1.00 21.53 H new ATOM 0 HE2 TYR A 10 -3.209 1.966 4.908 1.00 14.24 H new ATOM 0 HH TYR A 10 -6.339 3.429 4.040 1.00 43.42 H new ATOM 193 N LEU A 11 -4.922 -0.921 11.921 1.00 60.35 N ATOM 194 CA LEU A 11 -4.589 -2.114 12.725 1.00 11.33 C ATOM 195 C LEU A 11 -5.057 -3.375 11.957 1.00 4.24 C ATOM 196 O LEU A 11 -6.208 -3.452 11.513 1.00 64.35 O ATOM 197 CB LEU A 11 -5.196 -1.998 14.164 1.00 52.32 C ATOM 198 CG LEU A 11 -6.769 -1.949 14.306 1.00 14.43 C ATOM 199 CD1 LEU A 11 -7.376 -3.356 14.531 1.00 72.14 C ATOM 200 CD2 LEU A 11 -7.214 -0.975 15.424 1.00 0.10 C ATOM 0 H LEU A 11 -5.900 -0.637 11.984 1.00 60.35 H new ATOM 0 HA LEU A 11 -3.511 -2.194 12.868 1.00 11.33 H new ATOM 0 HB2 LEU A 11 -4.835 -2.845 14.748 1.00 52.32 H new ATOM 0 HB3 LEU A 11 -4.791 -1.097 14.625 1.00 52.32 H new ATOM 0 HG LEU A 11 -7.154 -1.571 13.359 1.00 14.43 H new ATOM 0 HD11 LEU A 11 -8.459 -3.275 14.623 1.00 72.14 H new ATOM 0 HD12 LEU A 11 -7.131 -3.998 13.685 1.00 72.14 H new ATOM 0 HD13 LEU A 11 -6.966 -3.788 15.444 1.00 72.14 H new ATOM 0 HD21 LEU A 11 -8.302 -0.970 15.490 1.00 0.10 H new ATOM 0 HD22 LEU A 11 -6.794 -1.298 16.377 1.00 0.10 H new ATOM 0 HD23 LEU A 11 -6.860 0.030 15.194 1.00 0.10 H new ATOM 212 N LEU A 12 -4.141 -4.325 11.739 1.00 20.21 N ATOM 213 CA LEU A 12 -4.441 -5.569 10.997 1.00 4.31 C ATOM 214 C LEU A 12 -3.645 -6.737 11.625 1.00 55.04 C ATOM 215 O LEU A 12 -2.418 -6.678 11.707 1.00 13.43 O ATOM 216 CB LEU A 12 -4.099 -5.385 9.469 1.00 41.34 C ATOM 217 CG LEU A 12 -4.990 -6.165 8.435 1.00 35.54 C ATOM 218 CD1 LEU A 12 -4.860 -7.697 8.567 1.00 13.34 C ATOM 219 CD2 LEU A 12 -6.466 -5.713 8.525 1.00 63.14 C ATOM 0 H LEU A 12 -3.177 -4.261 12.066 1.00 20.21 H new ATOM 0 HA LEU A 12 -5.504 -5.799 11.067 1.00 4.31 H new ATOM 0 HB2 LEU A 12 -4.161 -4.322 9.234 1.00 41.34 H new ATOM 0 HB3 LEU A 12 -3.062 -5.685 9.316 1.00 41.34 H new ATOM 0 HG LEU A 12 -4.614 -5.912 7.443 1.00 35.54 H new ATOM 0 HD11 LEU A 12 -5.498 -8.181 7.828 1.00 13.34 H new ATOM 0 HD12 LEU A 12 -3.824 -7.990 8.400 1.00 13.34 H new ATOM 0 HD13 LEU A 12 -5.167 -8.003 9.567 1.00 13.34 H new ATOM 0 HD21 LEU A 12 -7.061 -6.268 7.800 1.00 63.14 H new ATOM 0 HD22 LEU A 12 -6.845 -5.906 9.529 1.00 63.14 H new ATOM 0 HD23 LEU A 12 -6.534 -4.646 8.310 1.00 63.14 H new ATOM 231 N ASN A 13 -4.362 -7.790 12.051 1.00 32.42 N ATOM 232 CA ASN A 13 -3.756 -8.981 12.699 1.00 74.43 C ATOM 233 C ASN A 13 -2.828 -9.780 11.738 1.00 13.44 C ATOM 234 O ASN A 13 -2.949 -9.695 10.509 1.00 24.11 O ATOM 235 CB ASN A 13 -4.869 -9.886 13.298 1.00 61.44 C ATOM 236 CG ASN A 13 -5.902 -10.395 12.283 1.00 74.42 C ATOM 237 OD1 ASN A 13 -6.183 -9.763 11.269 1.00 14.23 O ATOM 238 ND2 ASN A 13 -6.500 -11.533 12.565 1.00 65.32 N ATOM 0 H ASN A 13 -5.376 -7.847 11.959 1.00 32.42 H new ATOM 0 HA ASN A 13 -3.117 -8.626 13.508 1.00 74.43 H new ATOM 0 HB2 ASN A 13 -4.400 -10.744 13.779 1.00 61.44 H new ATOM 0 HB3 ASN A 13 -5.390 -9.329 14.077 1.00 61.44 H new ATOM 0 HD21 ASN A 13 -7.211 -11.905 11.936 1.00 65.32 H new ATOM 0 HD22 ASN A 13 -6.252 -12.043 13.413 1.00 65.32 H new ATOM 245 N ALA A 14 -1.911 -10.575 12.321 1.00 61.10 N ATOM 246 CA ALA A 14 -0.882 -11.340 11.569 1.00 61.34 C ATOM 247 C ALA A 14 -1.433 -12.687 11.011 1.00 31.45 C ATOM 248 O ALA A 14 -0.766 -13.728 11.100 1.00 63.02 O ATOM 249 CB ALA A 14 0.344 -11.565 12.485 1.00 72.23 C ATOM 0 H ALA A 14 -1.858 -10.709 13.331 1.00 61.10 H new ATOM 0 HA ALA A 14 -0.584 -10.757 10.698 1.00 61.34 H new ATOM 0 HB1 ALA A 14 1.105 -12.126 11.943 1.00 72.23 H new ATOM 0 HB2 ALA A 14 0.752 -10.601 12.790 1.00 72.23 H new ATOM 0 HB3 ALA A 14 0.040 -12.127 13.368 1.00 72.23 H new ATOM 255 N THR A 15 -2.637 -12.646 10.392 1.00 3.51 N ATOM 256 CA THR A 15 -3.278 -13.833 9.768 1.00 50.41 C ATOM 257 C THR A 15 -2.424 -14.350 8.585 1.00 5.32 C ATOM 258 O THR A 15 -1.925 -15.483 8.599 1.00 32.11 O ATOM 259 CB THR A 15 -4.727 -13.495 9.252 1.00 32.23 C ATOM 260 OG1 THR A 15 -5.487 -12.865 10.287 1.00 50.25 O ATOM 261 CG2 THR A 15 -5.485 -14.749 8.772 1.00 24.50 C ATOM 0 H THR A 15 -3.191 -11.794 10.310 1.00 3.51 H new ATOM 0 HA THR A 15 -3.350 -14.606 10.533 1.00 50.41 H new ATOM 0 HB THR A 15 -4.609 -12.821 8.403 1.00 32.23 H new ATOM 0 HG1 THR A 15 -6.352 -12.577 9.928 1.00 50.25 H new ATOM 0 HG21 THR A 15 -6.478 -14.463 8.426 1.00 24.50 H new ATOM 0 HG22 THR A 15 -4.936 -15.215 7.954 1.00 24.50 H new ATOM 0 HG23 THR A 15 -5.577 -15.456 9.596 1.00 24.50 H new ATOM 269 N SER A 16 -2.231 -13.479 7.578 1.00 41.04 N ATOM 270 CA SER A 16 -1.395 -13.772 6.387 1.00 1.14 C ATOM 271 C SER A 16 0.012 -13.139 6.522 1.00 54.13 C ATOM 272 O SER A 16 0.719 -12.989 5.524 1.00 61.45 O ATOM 273 CB SER A 16 -2.105 -13.265 5.102 1.00 64.32 C ATOM 274 OG SER A 16 -3.381 -13.870 4.939 1.00 72.24 O ATOM 0 H SER A 16 -2.649 -12.549 7.562 1.00 41.04 H new ATOM 0 HA SER A 16 -1.265 -14.852 6.315 1.00 1.14 H new ATOM 0 HB2 SER A 16 -2.218 -12.182 5.151 1.00 64.32 H new ATOM 0 HB3 SER A 16 -1.485 -13.482 4.232 1.00 64.32 H new ATOM 0 HG SER A 16 -3.803 -13.529 4.123 1.00 72.24 H new ATOM 280 N LYS A 17 0.404 -12.792 7.784 1.00 52.41 N ATOM 281 CA LYS A 17 1.756 -12.266 8.134 1.00 32.51 C ATOM 282 C LYS A 17 2.080 -10.941 7.377 1.00 15.32 C ATOM 283 O LYS A 17 1.173 -10.194 7.012 1.00 14.33 O ATOM 284 CB LYS A 17 2.829 -13.366 7.855 1.00 23.51 C ATOM 285 CG LYS A 17 2.569 -14.716 8.567 1.00 3.02 C ATOM 286 CD LYS A 17 3.568 -15.817 8.136 1.00 21.43 C ATOM 287 CE LYS A 17 3.266 -17.184 8.781 1.00 21.22 C ATOM 288 NZ LYS A 17 3.310 -17.136 10.270 1.00 31.15 N ATOM 0 H LYS A 17 -0.215 -12.871 8.591 1.00 52.41 H new ATOM 0 HA LYS A 17 1.769 -12.021 9.196 1.00 32.51 H new ATOM 0 HB2 LYS A 17 2.880 -13.541 6.780 1.00 23.51 H new ATOM 0 HB3 LYS A 17 3.804 -12.990 8.163 1.00 23.51 H new ATOM 0 HG2 LYS A 17 2.635 -14.573 9.646 1.00 3.02 H new ATOM 0 HG3 LYS A 17 1.553 -15.047 8.351 1.00 3.02 H new ATOM 0 HD2 LYS A 17 3.543 -15.919 7.051 1.00 21.43 H new ATOM 0 HD3 LYS A 17 4.579 -15.509 8.404 1.00 21.43 H new ATOM 0 HE2 LYS A 17 2.281 -17.523 8.461 1.00 21.22 H new ATOM 0 HE3 LYS A 17 3.988 -17.918 8.423 1.00 21.22 H new ATOM 0 HZ1 LYS A 17 3.184 -18.095 10.652 1.00 31.15 H new ATOM 0 HZ2 LYS A 17 4.229 -16.758 10.578 1.00 31.15 H new ATOM 0 HZ3 LYS A 17 2.548 -16.521 10.620 1.00 31.15 H new ATOM 302 N ASN A 18 3.382 -10.643 7.190 1.00 22.34 N ATOM 303 CA ASN A 18 3.856 -9.512 6.345 1.00 40.33 C ATOM 304 C ASN A 18 3.386 -9.623 4.864 1.00 71.02 C ATOM 305 O ASN A 18 3.229 -8.604 4.186 1.00 71.14 O ATOM 306 CB ASN A 18 5.401 -9.390 6.431 1.00 20.33 C ATOM 307 CG ASN A 18 6.135 -10.653 5.980 1.00 54.20 C ATOM 308 OD1 ASN A 18 6.337 -11.575 6.752 1.00 62.31 O ATOM 309 ND2 ASN A 18 6.542 -10.704 4.726 1.00 63.15 N ATOM 0 H ASN A 18 4.140 -11.176 7.618 1.00 22.34 H new ATOM 0 HA ASN A 18 3.403 -8.603 6.741 1.00 40.33 H new ATOM 0 HB2 ASN A 18 5.727 -8.550 5.817 1.00 20.33 H new ATOM 0 HB3 ASN A 18 5.684 -9.162 7.459 1.00 20.33 H new ATOM 0 HD21 ASN A 18 7.037 -11.527 4.384 1.00 63.15 H new ATOM 0 HD22 ASN A 18 6.361 -9.920 4.099 1.00 63.15 H new ATOM 316 N ILE A 19 3.155 -10.874 4.400 1.00 11.52 N ATOM 317 CA ILE A 19 2.798 -11.224 2.989 1.00 25.23 C ATOM 318 C ILE A 19 1.592 -10.393 2.442 1.00 45.35 C ATOM 319 O ILE A 19 1.493 -10.192 1.220 1.00 64.32 O ATOM 320 CB ILE A 19 2.529 -12.794 2.840 1.00 10.04 C ATOM 321 CG1 ILE A 19 3.848 -13.643 3.030 1.00 62.01 C ATOM 322 CG2 ILE A 19 1.865 -13.173 1.488 1.00 51.24 C ATOM 323 CD1 ILE A 19 4.419 -13.690 4.432 1.00 40.11 C ATOM 0 H ILE A 19 3.211 -11.693 5.005 1.00 11.52 H new ATOM 0 HA ILE A 19 3.659 -10.959 2.375 1.00 25.23 H new ATOM 0 HB ILE A 19 1.829 -13.037 3.639 1.00 10.04 H new ATOM 0 HG12 ILE A 19 3.647 -14.665 2.708 1.00 62.01 H new ATOM 0 HG13 ILE A 19 4.612 -13.243 2.363 1.00 62.01 H new ATOM 0 HG21 ILE A 19 1.709 -14.251 1.449 1.00 51.24 H new ATOM 0 HG22 ILE A 19 0.905 -12.664 1.399 1.00 51.24 H new ATOM 0 HG23 ILE A 19 2.514 -12.870 0.666 1.00 51.24 H new ATOM 0 HD11 ILE A 19 5.321 -14.301 4.437 1.00 40.11 H new ATOM 0 HD12 ILE A 19 4.663 -12.679 4.759 1.00 40.11 H new ATOM 0 HD13 ILE A 19 3.684 -14.123 5.110 1.00 40.11 H new ATOM 335 N LEU A 20 0.747 -9.853 3.372 1.00 53.32 N ATOM 336 CA LEU A 20 -0.435 -8.995 3.053 1.00 1.14 C ATOM 337 C LEU A 20 -0.124 -7.971 1.926 1.00 13.13 C ATOM 338 O LEU A 20 -0.723 -8.007 0.847 1.00 15.23 O ATOM 339 CB LEU A 20 -0.874 -8.206 4.333 1.00 13.13 C ATOM 340 CG LEU A 20 -1.444 -9.042 5.523 1.00 54.53 C ATOM 341 CD1 LEU A 20 -1.500 -8.198 6.821 1.00 20.32 C ATOM 342 CD2 LEU A 20 -2.833 -9.629 5.177 1.00 31.34 C ATOM 0 H LEU A 20 0.870 -10.004 4.373 1.00 53.32 H new ATOM 0 HA LEU A 20 -1.232 -9.655 2.711 1.00 1.14 H new ATOM 0 HB2 LEU A 20 -0.013 -7.644 4.696 1.00 13.13 H new ATOM 0 HB3 LEU A 20 -1.629 -7.477 4.039 1.00 13.13 H new ATOM 0 HG LEU A 20 -0.766 -9.877 5.699 1.00 54.53 H new ATOM 0 HD11 LEU A 20 -1.901 -8.805 7.633 1.00 20.32 H new ATOM 0 HD12 LEU A 20 -0.496 -7.862 7.080 1.00 20.32 H new ATOM 0 HD13 LEU A 20 -2.143 -7.332 6.664 1.00 20.32 H new ATOM 0 HD21 LEU A 20 -3.205 -10.206 6.024 1.00 31.34 H new ATOM 0 HD22 LEU A 20 -3.527 -8.817 4.958 1.00 31.34 H new ATOM 0 HD23 LEU A 20 -2.747 -10.278 4.305 1.00 31.34 H new ATOM 354 N TRP A 21 0.833 -7.068 2.206 1.00 50.24 N ATOM 355 CA TRP A 21 1.360 -6.105 1.219 1.00 75.11 C ATOM 356 C TRP A 21 2.729 -6.522 0.649 1.00 70.10 C ATOM 357 O TRP A 21 3.087 -6.078 -0.428 1.00 62.30 O ATOM 358 CB TRP A 21 1.425 -4.696 1.834 1.00 44.53 C ATOM 359 CG TRP A 21 0.066 -4.037 1.952 1.00 54.14 C ATOM 360 CD1 TRP A 21 -0.828 -4.135 2.982 1.00 63.43 C ATOM 361 CD2 TRP A 21 -0.543 -3.180 0.975 1.00 4.45 C ATOM 362 NE1 TRP A 21 -1.936 -3.371 2.713 1.00 23.11 N ATOM 363 CE2 TRP A 21 -1.788 -2.781 1.486 1.00 23.21 C ATOM 364 CE3 TRP A 21 -0.142 -2.708 -0.282 1.00 42.23 C ATOM 365 CZ2 TRP A 21 -2.640 -1.929 0.788 1.00 5.31 C ATOM 366 CZ3 TRP A 21 -0.987 -1.865 -0.978 1.00 43.32 C ATOM 367 CH2 TRP A 21 -2.223 -1.481 -0.442 1.00 75.11 C ATOM 0 H TRP A 21 1.265 -6.984 3.126 1.00 50.24 H new ATOM 0 HA TRP A 21 0.668 -6.096 0.377 1.00 75.11 H new ATOM 0 HB2 TRP A 21 1.879 -4.758 2.823 1.00 44.53 H new ATOM 0 HB3 TRP A 21 2.075 -4.069 1.223 1.00 44.53 H new ATOM 0 HD1 TRP A 21 -0.684 -4.726 3.875 1.00 63.43 H new ATOM 0 HE1 TRP A 21 -2.741 -3.260 3.329 1.00 23.11 H new ATOM 0 HE3 TRP A 21 0.811 -2.998 -0.699 1.00 42.23 H new ATOM 0 HZ2 TRP A 21 -3.594 -1.631 1.198 1.00 5.31 H new ATOM 0 HZ3 TRP A 21 -0.690 -1.497 -1.949 1.00 43.32 H new ATOM 0 HH2 TRP A 21 -2.862 -0.819 -1.008 1.00 75.11 H new ATOM 378 N SER A 22 3.489 -7.385 1.364 1.00 2.35 N ATOM 379 CA SER A 22 4.844 -7.854 0.908 1.00 14.52 C ATOM 380 C SER A 22 4.792 -8.581 -0.465 1.00 32.53 C ATOM 381 O SER A 22 5.821 -8.741 -1.134 1.00 52.51 O ATOM 382 CB SER A 22 5.481 -8.774 1.976 1.00 70.24 C ATOM 383 OG SER A 22 6.796 -9.200 1.637 1.00 70.40 O ATOM 0 H SER A 22 3.198 -7.777 2.259 1.00 2.35 H new ATOM 0 HA SER A 22 5.462 -6.966 0.778 1.00 14.52 H new ATOM 0 HB2 SER A 22 5.511 -8.246 2.929 1.00 70.24 H new ATOM 0 HB3 SER A 22 4.847 -9.650 2.117 1.00 70.24 H new ATOM 0 HG SER A 22 7.024 -10.000 2.154 1.00 70.40 H new ATOM 389 N ALA A 23 3.579 -9.015 -0.860 1.00 63.13 N ATOM 390 CA ALA A 23 3.294 -9.617 -2.183 1.00 3.33 C ATOM 391 C ALA A 23 3.683 -8.688 -3.370 1.00 63.32 C ATOM 392 O ALA A 23 4.114 -9.171 -4.421 1.00 22.44 O ATOM 393 CB ALA A 23 1.802 -9.982 -2.247 1.00 33.55 C ATOM 0 H ALA A 23 2.755 -8.957 -0.261 1.00 63.13 H new ATOM 0 HA ALA A 23 3.910 -10.510 -2.287 1.00 3.33 H new ATOM 0 HB1 ALA A 23 1.577 -10.427 -3.217 1.00 33.55 H new ATOM 0 HB2 ALA A 23 1.568 -10.696 -1.457 1.00 33.55 H new ATOM 0 HB3 ALA A 23 1.201 -9.082 -2.113 1.00 33.55 H new ATOM 399 N ILE A 24 3.569 -7.352 -3.172 1.00 13.31 N ATOM 400 CA ILE A 24 3.841 -6.344 -4.237 1.00 75.21 C ATOM 401 C ILE A 24 5.343 -6.253 -4.613 1.00 11.10 C ATOM 402 O ILE A 24 5.692 -5.722 -5.670 1.00 12.05 O ATOM 403 CB ILE A 24 3.286 -4.914 -3.860 1.00 22.11 C ATOM 404 CG1 ILE A 24 4.082 -4.287 -2.665 1.00 55.22 C ATOM 405 CG2 ILE A 24 1.768 -4.989 -3.557 1.00 35.40 C ATOM 406 CD1 ILE A 24 3.473 -3.032 -2.058 1.00 33.32 C ATOM 0 H ILE A 24 3.289 -6.942 -2.281 1.00 13.31 H new ATOM 0 HA ILE A 24 3.303 -6.700 -5.116 1.00 75.21 H new ATOM 0 HB ILE A 24 3.429 -4.255 -4.716 1.00 22.11 H new ATOM 0 HG12 ILE A 24 4.178 -5.039 -1.881 1.00 55.22 H new ATOM 0 HG13 ILE A 24 5.090 -4.052 -3.006 1.00 55.22 H new ATOM 0 HG21 ILE A 24 1.399 -3.996 -3.299 1.00 35.40 H new ATOM 0 HG22 ILE A 24 1.239 -5.355 -4.437 1.00 35.40 H new ATOM 0 HG23 ILE A 24 1.597 -5.668 -2.722 1.00 35.40 H new ATOM 0 HD11 ILE A 24 4.102 -2.681 -1.240 1.00 33.32 H new ATOM 0 HD12 ILE A 24 3.403 -2.256 -2.820 1.00 33.32 H new ATOM 0 HD13 ILE A 24 2.477 -3.258 -1.678 1.00 33.32 H new ATOM 418 N SER A 25 6.215 -6.787 -3.736 1.00 30.02 N ATOM 419 CA SER A 25 7.670 -6.883 -3.994 1.00 72.13 C ATOM 420 C SER A 25 7.985 -7.890 -5.130 1.00 33.15 C ATOM 421 O SER A 25 8.982 -7.738 -5.842 1.00 35.33 O ATOM 422 CB SER A 25 8.403 -7.299 -2.695 1.00 71.44 C ATOM 423 OG SER A 25 9.816 -7.374 -2.865 1.00 22.40 O ATOM 0 H SER A 25 5.934 -7.164 -2.831 1.00 30.02 H new ATOM 0 HA SER A 25 8.022 -5.903 -4.316 1.00 72.13 H new ATOM 0 HB2 SER A 25 8.173 -6.582 -1.907 1.00 71.44 H new ATOM 0 HB3 SER A 25 8.028 -8.268 -2.365 1.00 71.44 H new ATOM 0 HG SER A 25 10.234 -7.638 -2.019 1.00 22.40 H new ATOM 429 N THR A 26 7.125 -8.920 -5.283 1.00 74.25 N ATOM 430 CA THR A 26 7.300 -9.981 -6.306 1.00 21.44 C ATOM 431 C THR A 26 6.260 -9.856 -7.448 1.00 14.23 C ATOM 432 O THR A 26 5.128 -9.437 -7.199 1.00 61.41 O ATOM 433 CB THR A 26 7.175 -11.417 -5.685 1.00 72.13 C ATOM 434 OG1 THR A 26 5.880 -11.598 -5.076 1.00 11.32 O ATOM 435 CG2 THR A 26 8.279 -11.691 -4.649 1.00 71.20 C ATOM 0 H THR A 26 6.293 -9.042 -4.705 1.00 74.25 H new ATOM 0 HA THR A 26 8.304 -9.843 -6.708 1.00 21.44 H new ATOM 0 HB THR A 26 7.292 -12.130 -6.501 1.00 72.13 H new ATOM 0 HG1 THR A 26 5.400 -10.744 -5.068 1.00 11.32 H new ATOM 0 HG21 THR A 26 8.156 -12.695 -4.243 1.00 71.20 H new ATOM 0 HG22 THR A 26 9.255 -11.610 -5.127 1.00 71.20 H new ATOM 0 HG23 THR A 26 8.209 -10.962 -3.841 1.00 71.20 H new ATOM 443 N PRO A 27 6.645 -10.224 -8.721 1.00 45.24 N ATOM 444 CA PRO A 27 5.709 -10.309 -9.885 1.00 72.05 C ATOM 445 C PRO A 27 4.426 -11.149 -9.607 1.00 55.34 C ATOM 446 O PRO A 27 3.306 -10.625 -9.686 1.00 14.34 O ATOM 447 CB PRO A 27 6.591 -10.963 -11.004 1.00 33.41 C ATOM 448 CG PRO A 27 7.807 -11.486 -10.285 1.00 21.10 C ATOM 449 CD PRO A 27 8.036 -10.524 -9.156 1.00 42.34 C ATOM 0 HA PRO A 27 5.311 -9.329 -10.149 1.00 72.05 H new ATOM 0 HB2 PRO A 27 6.055 -11.766 -11.510 1.00 33.41 H new ATOM 0 HB3 PRO A 27 6.866 -10.234 -11.766 1.00 33.41 H new ATOM 0 HG2 PRO A 27 7.641 -12.497 -9.914 1.00 21.10 H new ATOM 0 HG3 PRO A 27 8.670 -11.528 -10.949 1.00 21.10 H new ATOM 0 HD2 PRO A 27 8.628 -10.968 -8.355 1.00 42.34 H new ATOM 0 HD3 PRO A 27 8.564 -9.628 -9.483 1.00 42.34 H new ATOM 457 N THR A 28 4.609 -12.453 -9.286 1.00 45.34 N ATOM 458 CA THR A 28 3.490 -13.391 -9.003 1.00 21.53 C ATOM 459 C THR A 28 2.620 -12.954 -7.800 1.00 3.43 C ATOM 460 O THR A 28 1.390 -13.092 -7.839 1.00 61.23 O ATOM 461 CB THR A 28 3.998 -14.861 -8.778 1.00 51.52 C ATOM 462 OG1 THR A 28 2.899 -15.734 -8.429 1.00 13.32 O ATOM 463 CG2 THR A 28 5.096 -14.950 -7.696 1.00 70.20 C ATOM 0 H THR A 28 5.531 -12.884 -9.216 1.00 45.34 H new ATOM 0 HA THR A 28 2.863 -13.364 -9.894 1.00 21.53 H new ATOM 0 HB THR A 28 4.437 -15.185 -9.721 1.00 51.52 H new ATOM 0 HG1 THR A 28 3.235 -16.645 -8.294 1.00 13.32 H new ATOM 0 HG21 THR A 28 5.410 -15.987 -7.581 1.00 70.20 H new ATOM 0 HG22 THR A 28 5.951 -14.343 -7.994 1.00 70.20 H new ATOM 0 HG23 THR A 28 4.703 -14.583 -6.748 1.00 70.20 H new ATOM 471 N GLY A 29 3.265 -12.422 -6.741 1.00 21.30 N ATOM 472 CA GLY A 29 2.537 -11.938 -5.561 1.00 72.42 C ATOM 473 C GLY A 29 1.682 -10.700 -5.856 1.00 31.13 C ATOM 474 O GLY A 29 0.611 -10.529 -5.285 1.00 14.53 O ATOM 0 H GLY A 29 4.278 -12.319 -6.683 1.00 21.30 H new ATOM 0 HA2 GLY A 29 1.896 -12.735 -5.183 1.00 72.42 H new ATOM 0 HA3 GLY A 29 3.250 -11.701 -4.772 1.00 72.42 H new ATOM 478 N LEU A 30 2.182 -9.836 -6.750 1.00 73.23 N ATOM 479 CA LEU A 30 1.472 -8.610 -7.185 1.00 42.14 C ATOM 480 C LEU A 30 0.155 -8.959 -7.940 1.00 60.33 C ATOM 481 O LEU A 30 -0.936 -8.593 -7.490 1.00 43.34 O ATOM 482 CB LEU A 30 2.427 -7.726 -8.066 1.00 3.11 C ATOM 483 CG LEU A 30 2.584 -6.235 -7.638 1.00 4.14 C ATOM 484 CD1 LEU A 30 3.641 -5.513 -8.492 1.00 10.23 C ATOM 485 CD2 LEU A 30 1.236 -5.487 -7.640 1.00 70.12 C ATOM 0 H LEU A 30 3.091 -9.961 -7.196 1.00 73.23 H new ATOM 0 HA LEU A 30 1.189 -8.036 -6.303 1.00 42.14 H new ATOM 0 HB2 LEU A 30 3.415 -8.187 -8.067 1.00 3.11 H new ATOM 0 HB3 LEU A 30 2.063 -7.750 -9.093 1.00 3.11 H new ATOM 0 HG LEU A 30 2.941 -6.233 -6.608 1.00 4.14 H new ATOM 0 HD11 LEU A 30 3.725 -4.476 -8.167 1.00 10.23 H new ATOM 0 HD12 LEU A 30 4.604 -6.009 -8.375 1.00 10.23 H new ATOM 0 HD13 LEU A 30 3.343 -5.542 -9.540 1.00 10.23 H new ATOM 0 HD21 LEU A 30 1.394 -4.452 -7.336 1.00 70.12 H new ATOM 0 HD22 LEU A 30 0.809 -5.509 -8.643 1.00 70.12 H new ATOM 0 HD23 LEU A 30 0.551 -5.970 -6.943 1.00 70.12 H new ATOM 497 N GLU A 31 0.264 -9.723 -9.051 1.00 12.12 N ATOM 498 CA GLU A 31 -0.919 -10.109 -9.883 1.00 11.24 C ATOM 499 C GLU A 31 -1.885 -11.079 -9.161 1.00 21.12 C ATOM 500 O GLU A 31 -2.989 -11.323 -9.646 1.00 11.33 O ATOM 501 CB GLU A 31 -0.470 -10.675 -11.270 1.00 14.04 C ATOM 502 CG GLU A 31 0.533 -11.865 -11.248 1.00 14.04 C ATOM 503 CD GLU A 31 -0.081 -13.268 -11.056 1.00 4.52 C ATOM 504 OE1 GLU A 31 -1.286 -13.460 -11.319 1.00 72.42 O ATOM 505 OE2 GLU A 31 0.661 -14.200 -10.675 1.00 11.41 O ATOM 0 H GLU A 31 1.151 -10.087 -9.398 1.00 12.12 H new ATOM 0 HA GLU A 31 -1.487 -9.194 -10.053 1.00 11.24 H new ATOM 0 HB2 GLU A 31 -1.361 -10.991 -11.813 1.00 14.04 H new ATOM 0 HB3 GLU A 31 -0.021 -9.862 -11.840 1.00 14.04 H new ATOM 0 HG2 GLU A 31 1.091 -11.860 -12.184 1.00 14.04 H new ATOM 0 HG3 GLU A 31 1.252 -11.693 -10.447 1.00 14.04 H new ATOM 512 N ASP A 32 -1.462 -11.619 -8.006 1.00 62.21 N ATOM 513 CA ASP A 32 -2.323 -12.441 -7.130 1.00 74.03 C ATOM 514 C ASP A 32 -3.614 -11.677 -6.705 1.00 33.32 C ATOM 515 O ASP A 32 -4.698 -12.264 -6.648 1.00 14.01 O ATOM 516 CB ASP A 32 -1.500 -12.870 -5.890 1.00 20.25 C ATOM 517 CG ASP A 32 -2.279 -13.750 -4.897 1.00 2.32 C ATOM 518 OD1 ASP A 32 -2.347 -14.979 -5.106 1.00 62.31 O ATOM 519 OD2 ASP A 32 -2.813 -13.221 -3.900 1.00 3.30 O ATOM 0 H ASP A 32 -0.513 -11.500 -7.650 1.00 62.21 H new ATOM 0 HA ASP A 32 -2.651 -13.323 -7.681 1.00 74.03 H new ATOM 0 HB2 ASP A 32 -0.615 -13.412 -6.224 1.00 20.25 H new ATOM 0 HB3 ASP A 32 -1.150 -11.977 -5.372 1.00 20.25 H new ATOM 524 N TRP A 33 -3.486 -10.359 -6.446 1.00 34.12 N ATOM 525 CA TRP A 33 -4.596 -9.534 -5.898 1.00 31.02 C ATOM 526 C TRP A 33 -4.689 -8.123 -6.544 1.00 0.33 C ATOM 527 O TRP A 33 -5.479 -7.287 -6.086 1.00 52.51 O ATOM 528 CB TRP A 33 -4.428 -9.418 -4.353 1.00 34.55 C ATOM 529 CG TRP A 33 -3.167 -8.699 -3.895 1.00 60.40 C ATOM 530 CD1 TRP A 33 -1.869 -9.061 -4.135 1.00 12.21 C ATOM 531 CD2 TRP A 33 -3.100 -7.515 -3.088 1.00 54.51 C ATOM 532 NE1 TRP A 33 -1.011 -8.160 -3.560 1.00 4.30 N ATOM 533 CE2 TRP A 33 -1.741 -7.208 -2.903 1.00 51.33 C ATOM 534 CE3 TRP A 33 -4.062 -6.679 -2.520 1.00 73.51 C ATOM 535 CZ2 TRP A 33 -1.325 -6.107 -2.163 1.00 11.20 C ATOM 536 CZ3 TRP A 33 -3.650 -5.588 -1.782 1.00 32.41 C ATOM 537 CH2 TRP A 33 -2.290 -5.309 -1.614 1.00 73.12 C ATOM 0 H TRP A 33 -2.624 -9.837 -6.606 1.00 34.12 H new ATOM 0 HA TRP A 33 -5.531 -10.037 -6.142 1.00 31.02 H new ATOM 0 HB2 TRP A 33 -5.294 -8.895 -3.947 1.00 34.55 H new ATOM 0 HB3 TRP A 33 -4.432 -10.421 -3.926 1.00 34.55 H new ATOM 0 HD1 TRP A 33 -1.565 -9.932 -4.697 1.00 12.21 H new ATOM 0 HE1 TRP A 33 0.007 -8.194 -3.613 1.00 4.30 H new ATOM 0 HE3 TRP A 33 -5.114 -6.883 -2.656 1.00 73.51 H new ATOM 0 HZ2 TRP A 33 -0.276 -5.890 -2.027 1.00 11.20 H new ATOM 0 HZ3 TRP A 33 -4.387 -4.942 -1.329 1.00 32.41 H new ATOM 0 HH2 TRP A 33 -1.995 -4.444 -1.038 1.00 73.12 H new ATOM 548 N PHE A 34 -3.907 -7.859 -7.610 1.00 63.31 N ATOM 549 CA PHE A 34 -3.862 -6.519 -8.261 1.00 44.14 C ATOM 550 C PHE A 34 -4.418 -6.562 -9.712 1.00 2.34 C ATOM 551 O PHE A 34 -5.537 -6.103 -9.965 1.00 33.45 O ATOM 552 CB PHE A 34 -2.407 -5.978 -8.231 1.00 60.44 C ATOM 553 CG PHE A 34 -2.226 -4.538 -8.720 1.00 24.24 C ATOM 554 CD1 PHE A 34 -2.567 -3.458 -7.904 1.00 44.25 C ATOM 555 CD2 PHE A 34 -1.702 -4.262 -9.987 1.00 3.45 C ATOM 556 CE1 PHE A 34 -2.392 -2.157 -8.338 1.00 1.44 C ATOM 557 CE2 PHE A 34 -1.529 -2.960 -10.417 1.00 24.55 C ATOM 558 CZ PHE A 34 -1.873 -1.909 -9.594 1.00 41.04 C ATOM 0 H PHE A 34 -3.296 -8.551 -8.044 1.00 63.31 H new ATOM 0 HA PHE A 34 -4.506 -5.841 -7.701 1.00 44.14 H new ATOM 0 HB2 PHE A 34 -2.035 -6.045 -7.209 1.00 60.44 H new ATOM 0 HB3 PHE A 34 -1.783 -6.631 -8.841 1.00 60.44 H new ATOM 0 HD1 PHE A 34 -2.973 -3.641 -6.920 1.00 44.25 H new ATOM 0 HD2 PHE A 34 -1.429 -5.078 -10.639 1.00 3.45 H new ATOM 0 HE1 PHE A 34 -2.662 -1.333 -7.694 1.00 1.44 H new ATOM 0 HE2 PHE A 34 -1.124 -2.766 -11.399 1.00 24.55 H new ATOM 0 HZ PHE A 34 -1.737 -0.892 -9.931 1.00 41.04 H new ATOM 568 N ALA A 35 -3.633 -7.124 -10.656 1.00 21.32 N ATOM 569 CA ALA A 35 -3.966 -7.107 -12.112 1.00 61.34 C ATOM 570 C ALA A 35 -3.998 -8.528 -12.712 1.00 33.13 C ATOM 571 O ALA A 35 -3.685 -9.506 -12.030 1.00 40.11 O ATOM 572 CB ALA A 35 -2.956 -6.217 -12.866 1.00 41.42 C ATOM 0 H ALA A 35 -2.757 -7.600 -10.442 1.00 21.32 H new ATOM 0 HA ALA A 35 -4.967 -6.691 -12.226 1.00 61.34 H new ATOM 0 HB1 ALA A 35 -3.202 -6.207 -13.928 1.00 41.42 H new ATOM 0 HB2 ALA A 35 -3.002 -5.201 -12.473 1.00 41.42 H new ATOM 0 HB3 ALA A 35 -1.950 -6.613 -12.730 1.00 41.42 H new ATOM 578 N ASP A 36 -4.383 -8.613 -14.002 1.00 1.43 N ATOM 579 CA ASP A 36 -4.454 -9.885 -14.768 1.00 23.10 C ATOM 580 C ASP A 36 -3.087 -10.611 -14.832 1.00 52.40 C ATOM 581 O ASP A 36 -2.993 -11.814 -14.565 1.00 64.43 O ATOM 582 CB ASP A 36 -4.939 -9.596 -16.209 1.00 75.12 C ATOM 583 CG ASP A 36 -6.350 -8.994 -16.248 1.00 32.30 C ATOM 584 OD1 ASP A 36 -6.499 -7.776 -16.014 1.00 64.43 O ATOM 585 OD2 ASP A 36 -7.319 -9.743 -16.495 1.00 52.00 O ATOM 0 H ASP A 36 -4.656 -7.797 -14.550 1.00 1.43 H new ATOM 0 HA ASP A 36 -5.155 -10.538 -14.248 1.00 23.10 H new ATOM 0 HB2 ASP A 36 -4.242 -8.911 -16.692 1.00 75.12 H new ATOM 0 HB3 ASP A 36 -4.927 -10.521 -16.785 1.00 75.12 H new ATOM 590 N LYS A 37 -2.043 -9.852 -15.193 1.00 74.23 N ATOM 591 CA LYS A 37 -0.678 -10.378 -15.377 1.00 4.34 C ATOM 592 C LYS A 37 0.366 -9.311 -14.980 1.00 43.22 C ATOM 593 O LYS A 37 0.110 -8.113 -15.101 1.00 62.05 O ATOM 594 CB LYS A 37 -0.492 -10.815 -16.857 1.00 12.22 C ATOM 595 CG LYS A 37 0.872 -11.469 -17.177 1.00 71.33 C ATOM 596 CD LYS A 37 1.003 -11.872 -18.665 1.00 71.23 C ATOM 597 CE LYS A 37 2.358 -12.531 -18.989 1.00 2.40 C ATOM 598 NZ LYS A 37 2.472 -12.927 -20.415 1.00 40.13 N ATOM 0 H LYS A 37 -2.119 -8.850 -15.367 1.00 74.23 H new ATOM 0 HA LYS A 37 -0.531 -11.244 -14.732 1.00 4.34 H new ATOM 0 HB2 LYS A 37 -1.285 -11.517 -17.115 1.00 12.22 H new ATOM 0 HB3 LYS A 37 -0.619 -9.942 -17.497 1.00 12.22 H new ATOM 0 HG2 LYS A 37 1.673 -10.775 -16.920 1.00 71.33 H new ATOM 0 HG3 LYS A 37 1.003 -12.352 -16.552 1.00 71.33 H new ATOM 0 HD2 LYS A 37 0.199 -12.561 -18.922 1.00 71.23 H new ATOM 0 HD3 LYS A 37 0.876 -10.987 -19.289 1.00 71.23 H new ATOM 0 HE2 LYS A 37 3.163 -11.839 -18.742 1.00 2.40 H new ATOM 0 HE3 LYS A 37 2.490 -13.411 -18.359 1.00 2.40 H new ATOM 0 HZ1 LYS A 37 3.401 -13.365 -20.581 1.00 40.13 H new ATOM 0 HZ2 LYS A 37 1.722 -13.609 -20.647 1.00 40.13 H new ATOM 0 HZ3 LYS A 37 2.374 -12.085 -21.018 1.00 40.13 H new ATOM 612 N VAL A 38 1.527 -9.759 -14.469 1.00 55.40 N ATOM 613 CA VAL A 38 2.680 -8.875 -14.165 1.00 3.23 C ATOM 614 C VAL A 38 3.982 -9.452 -14.778 1.00 73.53 C ATOM 615 O VAL A 38 4.444 -10.530 -14.387 1.00 54.44 O ATOM 616 CB VAL A 38 2.867 -8.641 -12.611 1.00 31.33 C ATOM 617 CG1 VAL A 38 4.198 -7.913 -12.301 1.00 63.11 C ATOM 618 CG2 VAL A 38 1.677 -7.849 -12.006 1.00 63.45 C ATOM 0 H VAL A 38 1.698 -10.741 -14.254 1.00 55.40 H new ATOM 0 HA VAL A 38 2.466 -7.906 -14.616 1.00 3.23 H new ATOM 0 HB VAL A 38 2.897 -9.627 -12.147 1.00 31.33 H new ATOM 0 HG11 VAL A 38 4.292 -7.770 -11.225 1.00 63.11 H new ATOM 0 HG12 VAL A 38 5.033 -8.513 -12.662 1.00 63.11 H new ATOM 0 HG13 VAL A 38 4.207 -6.943 -12.798 1.00 63.11 H new ATOM 0 HG21 VAL A 38 1.840 -7.707 -10.938 1.00 63.45 H new ATOM 0 HG22 VAL A 38 1.601 -6.877 -12.494 1.00 63.45 H new ATOM 0 HG23 VAL A 38 0.753 -8.406 -12.161 1.00 63.45 H new ATOM 628 N VAL A 39 4.549 -8.722 -15.752 1.00 71.42 N ATOM 629 CA VAL A 39 5.887 -8.999 -16.312 1.00 40.22 C ATOM 630 C VAL A 39 6.912 -8.063 -15.629 1.00 32.33 C ATOM 631 O VAL A 39 6.865 -6.854 -15.810 1.00 72.43 O ATOM 632 CB VAL A 39 5.894 -8.746 -17.872 1.00 4.40 C ATOM 633 CG1 VAL A 39 7.284 -9.031 -18.500 1.00 70.13 C ATOM 634 CG2 VAL A 39 4.787 -9.571 -18.570 1.00 4.14 C ATOM 0 H VAL A 39 4.091 -7.916 -16.178 1.00 71.42 H new ATOM 0 HA VAL A 39 6.149 -10.041 -16.130 1.00 40.22 H new ATOM 0 HB VAL A 39 5.682 -7.689 -18.030 1.00 4.40 H new ATOM 0 HG11 VAL A 39 7.244 -8.844 -19.573 1.00 70.13 H new ATOM 0 HG12 VAL A 39 8.029 -8.378 -18.046 1.00 70.13 H new ATOM 0 HG13 VAL A 39 7.557 -10.071 -18.323 1.00 70.13 H new ATOM 0 HG21 VAL A 39 4.812 -9.380 -19.643 1.00 4.14 H new ATOM 0 HG22 VAL A 39 4.954 -10.632 -18.387 1.00 4.14 H new ATOM 0 HG23 VAL A 39 3.814 -9.283 -18.173 1.00 4.14 H new ATOM 644 N SER A 40 7.853 -8.634 -14.864 1.00 60.14 N ATOM 645 CA SER A 40 8.829 -7.841 -14.071 1.00 3.40 C ATOM 646 C SER A 40 10.236 -7.928 -14.686 1.00 23.35 C ATOM 647 O SER A 40 10.742 -9.026 -14.945 1.00 52.44 O ATOM 648 CB SER A 40 8.857 -8.334 -12.606 1.00 41.43 C ATOM 649 OG SER A 40 9.764 -7.578 -11.812 1.00 44.22 O ATOM 0 H SER A 40 7.967 -9.643 -14.771 1.00 60.14 H new ATOM 0 HA SER A 40 8.512 -6.798 -14.087 1.00 3.40 H new ATOM 0 HB2 SER A 40 7.856 -8.265 -12.180 1.00 41.43 H new ATOM 0 HB3 SER A 40 9.142 -9.386 -12.582 1.00 41.43 H new ATOM 0 HG SER A 40 9.754 -7.916 -10.892 1.00 44.22 H new ATOM 655 N ASP A 41 10.851 -6.760 -14.939 1.00 72.33 N ATOM 656 CA ASP A 41 12.258 -6.673 -15.375 1.00 53.35 C ATOM 657 C ASP A 41 13.192 -6.957 -14.172 1.00 53.31 C ATOM 658 O ASP A 41 13.842 -8.009 -14.113 1.00 70.04 O ATOM 659 CB ASP A 41 12.531 -5.276 -15.997 1.00 34.50 C ATOM 660 CG ASP A 41 13.969 -5.123 -16.519 1.00 22.12 C ATOM 661 OD1 ASP A 41 14.270 -5.653 -17.607 1.00 63.22 O ATOM 662 OD2 ASP A 41 14.808 -4.500 -15.833 1.00 31.22 O ATOM 0 H ASP A 41 10.391 -5.854 -14.848 1.00 72.33 H new ATOM 0 HA ASP A 41 12.458 -7.422 -16.141 1.00 53.35 H new ATOM 0 HB2 ASP A 41 11.833 -5.106 -16.816 1.00 34.50 H new ATOM 0 HB3 ASP A 41 12.338 -4.507 -15.249 1.00 34.50 H new ATOM 667 N ASP A 42 13.205 -6.006 -13.210 1.00 32.24 N ATOM 668 CA ASP A 42 13.973 -6.094 -11.943 1.00 24.12 C ATOM 669 C ASP A 42 13.761 -4.788 -11.143 1.00 21.30 C ATOM 670 O ASP A 42 13.126 -4.777 -10.079 1.00 13.54 O ATOM 671 CB ASP A 42 15.494 -6.328 -12.199 1.00 33.33 C ATOM 672 CG ASP A 42 16.286 -6.602 -10.909 1.00 71.33 C ATOM 673 OD1 ASP A 42 16.407 -7.782 -10.516 1.00 23.42 O ATOM 674 OD2 ASP A 42 16.792 -5.643 -10.290 1.00 73.41 O ATOM 0 H ASP A 42 12.673 -5.140 -13.292 1.00 32.24 H new ATOM 0 HA ASP A 42 13.609 -6.950 -11.375 1.00 24.12 H new ATOM 0 HB2 ASP A 42 15.617 -7.170 -12.880 1.00 33.33 H new ATOM 0 HB3 ASP A 42 15.912 -5.453 -12.696 1.00 33.33 H new ATOM 679 N LYS A 43 14.318 -3.682 -11.677 1.00 43.22 N ATOM 680 CA LYS A 43 14.137 -2.323 -11.114 1.00 43.14 C ATOM 681 C LYS A 43 12.781 -1.721 -11.555 1.00 1.32 C ATOM 682 O LYS A 43 12.250 -0.834 -10.893 1.00 13.12 O ATOM 683 CB LYS A 43 15.313 -1.405 -11.551 1.00 30.51 C ATOM 684 CG LYS A 43 16.702 -1.854 -11.035 1.00 71.34 C ATOM 685 CD LYS A 43 17.883 -0.977 -11.554 1.00 32.33 C ATOM 686 CE LYS A 43 18.383 -1.358 -12.970 1.00 21.53 C ATOM 687 NZ LYS A 43 17.347 -1.233 -14.026 1.00 4.21 N ATOM 0 H LYS A 43 14.906 -3.703 -12.510 1.00 43.22 H new ATOM 0 HA LYS A 43 14.134 -2.395 -10.026 1.00 43.14 H new ATOM 0 HB2 LYS A 43 15.340 -1.363 -12.640 1.00 30.51 H new ATOM 0 HB3 LYS A 43 15.118 -0.392 -11.198 1.00 30.51 H new ATOM 0 HG2 LYS A 43 16.698 -1.833 -9.945 1.00 71.34 H new ATOM 0 HG3 LYS A 43 16.872 -2.889 -11.333 1.00 71.34 H new ATOM 0 HD2 LYS A 43 17.570 0.067 -11.560 1.00 32.33 H new ATOM 0 HD3 LYS A 43 18.715 -1.056 -10.854 1.00 32.33 H new ATOM 0 HE2 LYS A 43 19.230 -0.723 -13.229 1.00 21.53 H new ATOM 0 HE3 LYS A 43 18.748 -2.385 -12.952 1.00 21.53 H new ATOM 0 HZ1 LYS A 43 17.807 -1.134 -14.953 1.00 4.21 H new ATOM 0 HZ2 LYS A 43 16.747 -2.083 -14.026 1.00 4.21 H new ATOM 0 HZ3 LYS A 43 16.760 -0.395 -13.839 1.00 4.21 H new ATOM 701 N THR A 44 12.245 -2.220 -12.687 1.00 65.42 N ATOM 702 CA THR A 44 10.929 -1.813 -13.233 1.00 14.54 C ATOM 703 C THR A 44 9.970 -3.028 -13.301 1.00 44.12 C ATOM 704 O THR A 44 10.364 -4.120 -13.713 1.00 24.40 O ATOM 705 CB THR A 44 11.089 -1.171 -14.656 1.00 53.33 C ATOM 706 OG1 THR A 44 11.927 -0.004 -14.567 1.00 32.14 O ATOM 707 CG2 THR A 44 9.740 -0.779 -15.287 1.00 43.12 C ATOM 0 H THR A 44 12.716 -2.924 -13.255 1.00 65.42 H new ATOM 0 HA THR A 44 10.502 -1.066 -12.564 1.00 14.54 H new ATOM 0 HB THR A 44 11.544 -1.925 -15.298 1.00 53.33 H new ATOM 0 HG1 THR A 44 12.028 0.395 -15.456 1.00 32.14 H new ATOM 0 HG21 THR A 44 9.912 -0.340 -16.270 1.00 43.12 H new ATOM 0 HG22 THR A 44 9.115 -1.666 -15.390 1.00 43.12 H new ATOM 0 HG23 THR A 44 9.237 -0.053 -14.648 1.00 43.12 H new ATOM 715 N VAL A 45 8.715 -2.812 -12.880 1.00 45.03 N ATOM 716 CA VAL A 45 7.643 -3.831 -12.876 1.00 31.24 C ATOM 717 C VAL A 45 6.504 -3.411 -13.848 1.00 63.22 C ATOM 718 O VAL A 45 5.836 -2.397 -13.621 1.00 2.13 O ATOM 719 CB VAL A 45 7.070 -4.010 -11.415 1.00 73.22 C ATOM 720 CG1 VAL A 45 5.897 -5.013 -11.384 1.00 22.24 C ATOM 721 CG2 VAL A 45 8.185 -4.436 -10.423 1.00 4.22 C ATOM 0 H VAL A 45 8.406 -1.907 -12.525 1.00 45.03 H new ATOM 0 HA VAL A 45 8.059 -4.781 -13.210 1.00 31.24 H new ATOM 0 HB VAL A 45 6.686 -3.041 -11.097 1.00 73.22 H new ATOM 0 HG11 VAL A 45 5.529 -5.111 -10.363 1.00 22.24 H new ATOM 0 HG12 VAL A 45 5.094 -4.653 -12.027 1.00 22.24 H new ATOM 0 HG13 VAL A 45 6.239 -5.984 -11.740 1.00 22.24 H new ATOM 0 HG21 VAL A 45 7.760 -4.551 -9.426 1.00 4.22 H new ATOM 0 HG22 VAL A 45 8.616 -5.384 -10.746 1.00 4.22 H new ATOM 0 HG23 VAL A 45 8.963 -3.673 -10.400 1.00 4.22 H new ATOM 731 N THR A 46 6.281 -4.201 -14.913 1.00 64.25 N ATOM 732 CA THR A 46 5.254 -3.905 -15.945 1.00 33.32 C ATOM 733 C THR A 46 3.982 -4.750 -15.707 1.00 53.54 C ATOM 734 O THR A 46 4.031 -5.976 -15.706 1.00 42.05 O ATOM 735 CB THR A 46 5.789 -4.187 -17.395 1.00 70.41 C ATOM 736 OG1 THR A 46 6.989 -3.433 -17.632 1.00 14.31 O ATOM 737 CG2 THR A 46 4.747 -3.844 -18.486 1.00 71.31 C ATOM 0 H THR A 46 6.802 -5.060 -15.088 1.00 64.25 H new ATOM 0 HA THR A 46 5.015 -2.845 -15.860 1.00 33.32 H new ATOM 0 HB THR A 46 5.995 -5.256 -17.456 1.00 70.41 H new ATOM 0 HG1 THR A 46 7.317 -3.616 -18.537 1.00 14.31 H new ATOM 0 HG21 THR A 46 5.166 -4.057 -19.469 1.00 71.31 H new ATOM 0 HG22 THR A 46 3.851 -4.446 -18.335 1.00 71.31 H new ATOM 0 HG23 THR A 46 4.489 -2.787 -18.423 1.00 71.31 H new ATOM 745 N PHE A 47 2.855 -4.075 -15.496 1.00 20.25 N ATOM 746 CA PHE A 47 1.524 -4.708 -15.417 1.00 22.23 C ATOM 747 C PHE A 47 0.957 -4.911 -16.840 1.00 54.34 C ATOM 748 O PHE A 47 1.212 -4.097 -17.725 1.00 14.40 O ATOM 749 CB PHE A 47 0.570 -3.812 -14.591 1.00 30.31 C ATOM 750 CG PHE A 47 1.183 -3.290 -13.293 1.00 25.22 C ATOM 751 CD1 PHE A 47 1.387 -4.138 -12.210 1.00 53.23 C ATOM 752 CD2 PHE A 47 1.565 -1.951 -13.161 1.00 32.40 C ATOM 753 CE1 PHE A 47 1.947 -3.668 -11.041 1.00 30.41 C ATOM 754 CE2 PHE A 47 2.127 -1.483 -11.988 1.00 2.42 C ATOM 755 CZ PHE A 47 2.317 -2.344 -10.927 1.00 11.42 C ATOM 0 H PHE A 47 2.831 -3.063 -15.373 1.00 20.25 H new ATOM 0 HA PHE A 47 1.614 -5.678 -14.929 1.00 22.23 H new ATOM 0 HB2 PHE A 47 0.262 -2.964 -15.203 1.00 30.31 H new ATOM 0 HB3 PHE A 47 -0.331 -4.378 -14.354 1.00 30.31 H new ATOM 0 HD1 PHE A 47 1.103 -5.177 -12.285 1.00 53.23 H new ATOM 0 HD2 PHE A 47 1.419 -1.272 -13.988 1.00 32.40 H new ATOM 0 HE1 PHE A 47 2.097 -4.341 -10.209 1.00 30.41 H new ATOM 0 HE2 PHE A 47 2.417 -0.446 -11.902 1.00 2.42 H new ATOM 0 HZ PHE A 47 2.755 -1.982 -10.008 1.00 11.42 H new ATOM 765 N CYS A 48 0.187 -5.989 -17.043 1.00 61.04 N ATOM 766 CA CYS A 48 -0.395 -6.344 -18.356 1.00 33.20 C ATOM 767 C CYS A 48 -1.873 -6.773 -18.196 1.00 43.31 C ATOM 768 O CYS A 48 -2.170 -7.804 -17.583 1.00 42.10 O ATOM 769 CB CYS A 48 0.434 -7.476 -19.016 1.00 1.03 C ATOM 770 SG CYS A 48 2.162 -7.042 -19.337 1.00 34.32 S ATOM 0 H CYS A 48 -0.054 -6.646 -16.301 1.00 61.04 H new ATOM 0 HA CYS A 48 -0.364 -5.467 -19.002 1.00 33.20 H new ATOM 0 HB2 CYS A 48 0.406 -8.355 -18.371 1.00 1.03 H new ATOM 0 HB3 CYS A 48 -0.039 -7.756 -19.957 1.00 1.03 H new ATOM 0 HG CYS A 48 2.768 -8.052 -19.886 1.00 34.32 H new ATOM 776 N TRP A 49 -2.788 -5.949 -18.728 1.00 72.44 N ATOM 777 CA TRP A 49 -4.246 -6.222 -18.737 1.00 61.43 C ATOM 778 C TRP A 49 -4.706 -6.743 -20.121 1.00 35.51 C ATOM 779 O TRP A 49 -5.632 -7.558 -20.211 1.00 61.42 O ATOM 780 CB TRP A 49 -5.027 -4.930 -18.377 1.00 73.42 C ATOM 781 CG TRP A 49 -4.702 -4.364 -17.007 1.00 4.14 C ATOM 782 CD1 TRP A 49 -5.303 -4.681 -15.820 1.00 31.22 C ATOM 783 CD2 TRP A 49 -3.702 -3.377 -16.690 1.00 55.11 C ATOM 784 NE1 TRP A 49 -4.750 -3.952 -14.801 1.00 13.44 N ATOM 785 CE2 TRP A 49 -3.769 -3.145 -15.305 1.00 24.54 C ATOM 786 CE3 TRP A 49 -2.766 -2.666 -17.446 1.00 14.12 C ATOM 787 CZ2 TRP A 49 -2.937 -2.234 -14.658 1.00 52.21 C ATOM 788 CZ3 TRP A 49 -1.939 -1.763 -16.807 1.00 3.40 C ATOM 789 CH2 TRP A 49 -2.030 -1.552 -15.424 1.00 34.10 C ATOM 0 H TRP A 49 -2.541 -5.064 -19.170 1.00 72.44 H new ATOM 0 HA TRP A 49 -4.453 -6.992 -17.994 1.00 61.43 H new ATOM 0 HB2 TRP A 49 -4.816 -4.171 -19.130 1.00 73.42 H new ATOM 0 HB3 TRP A 49 -6.095 -5.140 -18.426 1.00 73.42 H new ATOM 0 HD1 TRP A 49 -6.099 -5.402 -15.703 1.00 31.22 H new ATOM 0 HE1 TRP A 49 -5.027 -4.003 -13.821 1.00 13.44 H new ATOM 0 HE3 TRP A 49 -2.691 -2.820 -18.512 1.00 14.12 H new ATOM 0 HZ2 TRP A 49 -3.005 -2.072 -13.592 1.00 52.21 H new ATOM 0 HZ3 TRP A 49 -1.211 -1.211 -17.382 1.00 3.40 H new ATOM 0 HH2 TRP A 49 -1.371 -0.837 -14.953 1.00 34.10 H new ATOM 800 N GLY A 50 -4.038 -6.265 -21.196 1.00 43.22 N ATOM 801 CA GLY A 50 -4.426 -6.606 -22.576 1.00 52.12 C ATOM 802 C GLY A 50 -3.281 -6.497 -23.589 1.00 13.42 C ATOM 803 O GLY A 50 -2.108 -6.579 -23.209 1.00 21.53 O ATOM 0 H GLY A 50 -3.231 -5.644 -21.130 1.00 43.22 H new ATOM 0 HA2 GLY A 50 -4.816 -7.624 -22.592 1.00 52.12 H new ATOM 0 HA3 GLY A 50 -5.237 -5.948 -22.888 1.00 52.12 H new ATOM 807 N LYS A 51 -3.640 -6.312 -24.884 1.00 4.14 N ATOM 808 CA LYS A 51 -2.674 -6.256 -26.018 1.00 21.33 C ATOM 809 C LYS A 51 -1.641 -5.106 -25.840 1.00 30.51 C ATOM 810 O LYS A 51 -0.448 -5.353 -25.636 1.00 4.11 O ATOM 811 CB LYS A 51 -3.436 -6.091 -27.372 1.00 63.20 C ATOM 812 CG LYS A 51 -4.521 -7.157 -27.662 1.00 74.42 C ATOM 813 CD LYS A 51 -3.960 -8.601 -27.728 1.00 22.13 C ATOM 814 CE LYS A 51 -5.026 -9.629 -28.154 1.00 55.30 C ATOM 815 NZ LYS A 51 -4.505 -11.017 -28.131 1.00 70.02 N ATOM 0 H LYS A 51 -4.611 -6.197 -25.176 1.00 4.14 H new ATOM 0 HA LYS A 51 -2.124 -7.197 -26.028 1.00 21.33 H new ATOM 0 HB2 LYS A 51 -3.905 -5.107 -27.387 1.00 63.20 H new ATOM 0 HB3 LYS A 51 -2.708 -6.109 -28.183 1.00 63.20 H new ATOM 0 HG2 LYS A 51 -5.286 -7.107 -26.887 1.00 74.42 H new ATOM 0 HG3 LYS A 51 -5.009 -6.921 -28.608 1.00 74.42 H new ATOM 0 HD2 LYS A 51 -3.128 -8.632 -28.431 1.00 22.13 H new ATOM 0 HD3 LYS A 51 -3.562 -8.878 -26.752 1.00 22.13 H new ATOM 0 HE2 LYS A 51 -5.887 -9.555 -27.489 1.00 55.30 H new ATOM 0 HE3 LYS A 51 -5.377 -9.391 -29.158 1.00 55.30 H new ATOM 0 HZ1 LYS A 51 -5.256 -11.674 -28.424 1.00 70.02 H new ATOM 0 HZ2 LYS A 51 -3.700 -11.097 -28.785 1.00 70.02 H new ATOM 0 HZ3 LYS A 51 -4.194 -11.255 -27.168 1.00 70.02 H new ATOM 829 N THR A 52 -2.125 -3.849 -25.910 1.00 13.12 N ATOM 830 CA THR A 52 -1.296 -2.633 -25.667 1.00 63.13 C ATOM 831 C THR A 52 -1.542 -2.056 -24.253 1.00 3.14 C ATOM 832 O THR A 52 -0.930 -1.055 -23.863 1.00 3.32 O ATOM 833 CB THR A 52 -1.591 -1.518 -26.735 1.00 41.13 C ATOM 834 OG1 THR A 52 -2.967 -1.098 -26.659 1.00 31.13 O ATOM 835 CG2 THR A 52 -1.294 -1.996 -28.170 1.00 44.30 C ATOM 0 H THR A 52 -3.098 -3.640 -26.135 1.00 13.12 H new ATOM 0 HA THR A 52 -0.254 -2.941 -25.750 1.00 63.13 H new ATOM 0 HB THR A 52 -0.931 -0.682 -26.507 1.00 41.13 H new ATOM 0 HG1 THR A 52 -3.134 -0.403 -27.329 1.00 31.13 H new ATOM 0 HG21 THR A 52 -1.512 -1.193 -28.874 1.00 44.30 H new ATOM 0 HG22 THR A 52 -0.243 -2.273 -28.251 1.00 44.30 H new ATOM 0 HG23 THR A 52 -1.916 -2.860 -28.402 1.00 44.30 H new ATOM 843 N GLU A 53 -2.441 -2.708 -23.490 1.00 74.42 N ATOM 844 CA GLU A 53 -2.869 -2.241 -22.159 1.00 2.25 C ATOM 845 C GLU A 53 -1.828 -2.642 -21.091 1.00 51.32 C ATOM 846 O GLU A 53 -1.884 -3.747 -20.533 1.00 61.31 O ATOM 847 CB GLU A 53 -4.280 -2.806 -21.816 1.00 22.11 C ATOM 848 CG GLU A 53 -5.342 -2.640 -22.931 1.00 2.42 C ATOM 849 CD GLU A 53 -5.538 -1.183 -23.399 1.00 65.52 C ATOM 850 OE1 GLU A 53 -6.275 -0.430 -22.733 1.00 74.24 O ATOM 851 OE2 GLU A 53 -4.947 -0.783 -24.430 1.00 1.41 O ATOM 0 H GLU A 53 -2.891 -3.576 -23.781 1.00 74.42 H new ATOM 0 HA GLU A 53 -2.937 -1.153 -22.169 1.00 2.25 H new ATOM 0 HB2 GLU A 53 -4.183 -3.866 -21.583 1.00 22.11 H new ATOM 0 HB3 GLU A 53 -4.642 -2.313 -20.914 1.00 22.11 H new ATOM 0 HG2 GLU A 53 -5.054 -3.250 -23.787 1.00 2.42 H new ATOM 0 HG3 GLU A 53 -6.295 -3.027 -22.571 1.00 2.42 H new ATOM 858 N GLN A 54 -0.851 -1.747 -20.859 1.00 62.24 N ATOM 859 CA GLN A 54 0.277 -2.004 -19.942 1.00 31.21 C ATOM 860 C GLN A 54 0.868 -0.695 -19.349 1.00 50.03 C ATOM 861 O GLN A 54 1.047 0.300 -20.058 1.00 11.21 O ATOM 862 CB GLN A 54 1.385 -2.822 -20.674 1.00 61.34 C ATOM 863 CG GLN A 54 1.945 -2.167 -21.956 1.00 15.32 C ATOM 864 CD GLN A 54 3.083 -2.969 -22.592 1.00 60.41 C ATOM 865 OE1 GLN A 54 4.247 -2.768 -22.281 1.00 61.22 O ATOM 866 NE2 GLN A 54 2.754 -3.891 -23.475 1.00 10.22 N ATOM 0 H GLN A 54 -0.820 -0.828 -21.300 1.00 62.24 H new ATOM 0 HA GLN A 54 -0.109 -2.585 -19.105 1.00 31.21 H new ATOM 0 HB2 GLN A 54 2.209 -2.989 -19.981 1.00 61.34 H new ATOM 0 HB3 GLN A 54 0.981 -3.801 -20.932 1.00 61.34 H new ATOM 0 HG2 GLN A 54 1.139 -2.054 -22.681 1.00 15.32 H new ATOM 0 HG3 GLN A 54 2.303 -1.165 -21.718 1.00 15.32 H new ATOM 0 HE21 GLN A 54 1.774 -4.039 -23.717 1.00 10.22 H new ATOM 0 HE22 GLN A 54 3.479 -4.457 -23.916 1.00 10.22 H new ATOM 875 N ARG A 55 1.163 -0.718 -18.030 1.00 42.32 N ATOM 876 CA ARG A 55 1.849 0.386 -17.310 1.00 12.53 C ATOM 877 C ARG A 55 3.057 -0.156 -16.525 1.00 73.45 C ATOM 878 O ARG A 55 2.993 -1.238 -15.954 1.00 73.25 O ATOM 879 CB ARG A 55 0.894 1.130 -16.339 1.00 72.34 C ATOM 880 CG ARG A 55 -0.215 1.966 -17.035 1.00 43.34 C ATOM 881 CD ARG A 55 -0.677 3.144 -16.163 1.00 22.32 C ATOM 882 NE ARG A 55 -1.759 3.929 -16.790 1.00 4.42 N ATOM 883 CZ ARG A 55 -1.798 5.244 -16.905 1.00 22.41 C ATOM 884 NH1 ARG A 55 -0.810 5.990 -16.521 1.00 44.22 N ATOM 885 NH2 ARG A 55 -2.844 5.806 -17.411 1.00 32.02 N ATOM 0 H ARG A 55 0.931 -1.508 -17.428 1.00 42.32 H new ATOM 0 HA ARG A 55 2.187 1.098 -18.063 1.00 12.53 H new ATOM 0 HB2 ARG A 55 0.421 0.398 -15.684 1.00 72.34 H new ATOM 0 HB3 ARG A 55 1.485 1.791 -15.705 1.00 72.34 H new ATOM 0 HG2 ARG A 55 0.158 2.344 -17.987 1.00 43.34 H new ATOM 0 HG3 ARG A 55 -1.067 1.324 -17.259 1.00 43.34 H new ATOM 0 HD2 ARG A 55 -1.020 2.765 -15.200 1.00 22.32 H new ATOM 0 HD3 ARG A 55 0.172 3.798 -15.964 1.00 22.32 H new ATOM 0 HE ARG A 55 -2.549 3.407 -17.169 1.00 4.42 H new ATOM 0 HH11 ARG A 55 0.024 5.564 -16.118 1.00 44.22 H new ATOM 0 HH12 ARG A 55 -0.867 7.003 -16.622 1.00 44.22 H new ATOM 0 HH21 ARG A 55 -3.632 5.235 -17.718 1.00 32.02 H new ATOM 0 HH22 ARG A 55 -2.883 6.821 -17.504 1.00 32.02 H new ATOM 899 N GLN A 56 4.145 0.619 -16.487 1.00 75.14 N ATOM 900 CA GLN A 56 5.390 0.244 -15.784 1.00 0.11 C ATOM 901 C GLN A 56 5.540 1.036 -14.467 1.00 21.15 C ATOM 902 O GLN A 56 5.075 2.178 -14.373 1.00 41.10 O ATOM 903 CB GLN A 56 6.604 0.502 -16.712 1.00 34.42 C ATOM 904 CG GLN A 56 6.529 -0.235 -18.062 1.00 33.42 C ATOM 905 CD GLN A 56 7.807 -0.111 -18.896 1.00 32.21 C ATOM 906 OE1 GLN A 56 7.957 0.799 -19.702 1.00 5.03 O ATOM 907 NE2 GLN A 56 8.744 -1.024 -18.702 1.00 41.43 N ATOM 0 H GLN A 56 4.194 1.530 -16.943 1.00 75.14 H new ATOM 0 HA GLN A 56 5.347 -0.816 -15.532 1.00 0.11 H new ATOM 0 HB2 GLN A 56 6.684 1.573 -16.898 1.00 34.42 H new ATOM 0 HB3 GLN A 56 7.514 0.199 -16.195 1.00 34.42 H new ATOM 0 HG2 GLN A 56 6.324 -1.290 -17.880 1.00 33.42 H new ATOM 0 HG3 GLN A 56 5.690 0.159 -18.636 1.00 33.42 H new ATOM 0 HE21 GLN A 56 8.595 -1.772 -18.025 1.00 41.43 H new ATOM 0 HE22 GLN A 56 9.616 -0.980 -19.230 1.00 41.43 H new ATOM 916 N ALA A 57 6.205 0.425 -13.457 1.00 63.34 N ATOM 917 CA ALA A 57 6.439 1.060 -12.134 1.00 20.42 C ATOM 918 C ALA A 57 7.816 0.661 -11.552 1.00 61.35 C ATOM 919 O ALA A 57 8.055 -0.509 -11.247 1.00 31.44 O ATOM 920 CB ALA A 57 5.314 0.672 -11.148 1.00 53.14 C ATOM 0 H ALA A 57 6.593 -0.515 -13.534 1.00 63.34 H new ATOM 0 HA ALA A 57 6.434 2.141 -12.277 1.00 20.42 H new ATOM 0 HB1 ALA A 57 5.498 1.144 -10.183 1.00 53.14 H new ATOM 0 HB2 ALA A 57 4.354 1.009 -11.540 1.00 53.14 H new ATOM 0 HB3 ALA A 57 5.296 -0.411 -11.025 1.00 53.14 H new ATOM 926 N GLY A 58 8.699 1.658 -11.367 1.00 61.33 N ATOM 927 CA GLY A 58 10.037 1.440 -10.808 1.00 21.05 C ATOM 928 C GLY A 58 10.074 1.560 -9.285 1.00 35.40 C ATOM 929 O GLY A 58 9.430 2.449 -8.719 1.00 71.24 O ATOM 0 H GLY A 58 8.503 2.631 -11.601 1.00 61.33 H new ATOM 0 HA2 GLY A 58 10.389 0.450 -11.098 1.00 21.05 H new ATOM 0 HA3 GLY A 58 10.728 2.163 -11.241 1.00 21.05 H new ATOM 933 N ILE A 59 10.832 0.665 -8.621 1.00 52.34 N ATOM 934 CA ILE A 59 11.005 0.690 -7.149 1.00 73.52 C ATOM 935 C ILE A 59 11.871 1.916 -6.752 1.00 32.40 C ATOM 936 O ILE A 59 12.984 2.085 -7.270 1.00 24.33 O ATOM 937 CB ILE A 59 11.669 -0.637 -6.570 1.00 13.43 C ATOM 938 CG1 ILE A 59 10.794 -1.922 -6.839 1.00 11.21 C ATOM 939 CG2 ILE A 59 11.960 -0.500 -5.040 1.00 51.44 C ATOM 940 CD1 ILE A 59 10.757 -2.424 -8.277 1.00 41.11 C ATOM 0 H ILE A 59 11.339 -0.091 -9.082 1.00 52.34 H new ATOM 0 HA ILE A 59 10.008 0.760 -6.715 1.00 73.52 H new ATOM 0 HB ILE A 59 12.611 -0.764 -7.103 1.00 13.43 H new ATOM 0 HG12 ILE A 59 11.165 -2.727 -6.205 1.00 11.21 H new ATOM 0 HG13 ILE A 59 9.772 -1.712 -6.523 1.00 11.21 H new ATOM 0 HG21 ILE A 59 12.413 -1.421 -4.672 1.00 51.44 H new ATOM 0 HG22 ILE A 59 12.643 0.333 -4.873 1.00 51.44 H new ATOM 0 HG23 ILE A 59 11.027 -0.317 -4.507 1.00 51.44 H new ATOM 0 HD11 ILE A 59 10.125 -3.310 -8.337 1.00 41.11 H new ATOM 0 HD12 ILE A 59 10.353 -1.645 -8.924 1.00 41.11 H new ATOM 0 HD13 ILE A 59 11.767 -2.676 -8.600 1.00 41.11 H new ATOM 952 N VAL A 60 11.359 2.755 -5.834 1.00 0.11 N ATOM 953 CA VAL A 60 12.079 3.957 -5.348 1.00 13.03 C ATOM 954 C VAL A 60 13.053 3.576 -4.204 1.00 53.41 C ATOM 955 O VAL A 60 14.205 4.015 -4.184 1.00 44.02 O ATOM 956 CB VAL A 60 11.066 5.064 -4.861 1.00 22.31 C ATOM 957 CG1 VAL A 60 11.786 6.337 -4.346 1.00 72.34 C ATOM 958 CG2 VAL A 60 10.050 5.413 -5.974 1.00 24.22 C ATOM 0 H VAL A 60 10.442 2.625 -5.408 1.00 0.11 H new ATOM 0 HA VAL A 60 12.655 4.366 -6.178 1.00 13.03 H new ATOM 0 HB VAL A 60 10.520 4.645 -4.016 1.00 22.31 H new ATOM 0 HG11 VAL A 60 11.045 7.068 -4.023 1.00 72.34 H new ATOM 0 HG12 VAL A 60 12.429 6.076 -3.506 1.00 72.34 H new ATOM 0 HG13 VAL A 60 12.390 6.763 -5.147 1.00 72.34 H new ATOM 0 HG21 VAL A 60 9.363 6.178 -5.613 1.00 24.22 H new ATOM 0 HG22 VAL A 60 10.582 5.787 -6.849 1.00 24.22 H new ATOM 0 HG23 VAL A 60 9.487 4.520 -6.246 1.00 24.22 H new ATOM 968 N ALA A 61 12.557 2.741 -3.262 1.00 3.41 N ATOM 969 CA ALA A 61 13.353 2.176 -2.142 1.00 50.05 C ATOM 970 C ALA A 61 12.571 1.033 -1.455 1.00 4.43 C ATOM 971 O ALA A 61 11.344 0.957 -1.573 1.00 50.41 O ATOM 972 CB ALA A 61 13.736 3.261 -1.112 1.00 21.52 C ATOM 0 H ALA A 61 11.584 2.436 -3.256 1.00 3.41 H new ATOM 0 HA ALA A 61 14.277 1.776 -2.558 1.00 50.05 H new ATOM 0 HB1 ALA A 61 14.317 2.810 -0.308 1.00 21.52 H new ATOM 0 HB2 ALA A 61 14.330 4.033 -1.601 1.00 21.52 H new ATOM 0 HB3 ALA A 61 12.831 3.707 -0.700 1.00 21.52 H new ATOM 978 N ILE A 62 13.293 0.145 -0.745 1.00 34.54 N ATOM 979 CA ILE A 62 12.686 -0.988 0.005 1.00 24.30 C ATOM 980 C ILE A 62 13.642 -1.493 1.126 1.00 31.30 C ATOM 981 O ILE A 62 14.864 -1.397 1.002 1.00 63.22 O ATOM 982 CB ILE A 62 12.301 -2.186 -0.967 1.00 12.01 C ATOM 983 CG1 ILE A 62 11.633 -3.367 -0.177 1.00 2.21 C ATOM 984 CG2 ILE A 62 13.528 -2.666 -1.786 1.00 21.31 C ATOM 985 CD1 ILE A 62 11.227 -4.568 -1.013 1.00 11.12 C ATOM 0 H ILE A 62 14.309 0.186 -0.671 1.00 34.54 H new ATOM 0 HA ILE A 62 11.772 -0.617 0.469 1.00 24.30 H new ATOM 0 HB ILE A 62 11.564 -1.812 -1.678 1.00 12.01 H new ATOM 0 HG12 ILE A 62 12.326 -3.702 0.595 1.00 2.21 H new ATOM 0 HG13 ILE A 62 10.748 -2.985 0.332 1.00 2.21 H new ATOM 0 HG21 ILE A 62 13.231 -3.486 -2.440 1.00 21.31 H new ATOM 0 HG22 ILE A 62 13.909 -1.841 -2.388 1.00 21.31 H new ATOM 0 HG23 ILE A 62 14.308 -3.009 -1.106 1.00 21.31 H new ATOM 0 HD11 ILE A 62 10.777 -5.324 -0.369 1.00 11.12 H new ATOM 0 HD12 ILE A 62 10.505 -4.258 -1.769 1.00 11.12 H new ATOM 0 HD13 ILE A 62 12.107 -4.986 -1.502 1.00 11.12 H new ATOM 997 N ARG A 63 13.066 -2.024 2.222 1.00 61.14 N ATOM 998 CA ARG A 63 13.833 -2.673 3.309 1.00 21.13 C ATOM 999 C ARG A 63 13.017 -3.860 3.876 1.00 1.35 C ATOM 1000 O ARG A 63 12.093 -3.648 4.669 1.00 43.14 O ATOM 1001 CB ARG A 63 14.159 -1.642 4.424 1.00 64.42 C ATOM 1002 CG ARG A 63 15.010 -2.191 5.590 1.00 43.05 C ATOM 1003 CD ARG A 63 15.248 -1.146 6.691 1.00 60.03 C ATOM 1004 NE ARG A 63 16.123 -1.657 7.764 1.00 2.44 N ATOM 1005 CZ ARG A 63 15.735 -2.034 8.965 1.00 23.24 C ATOM 1006 NH1 ARG A 63 14.477 -2.091 9.286 1.00 12.23 N ATOM 1007 NH2 ARG A 63 16.621 -2.386 9.834 1.00 45.23 N ATOM 0 H ARG A 63 12.058 -2.016 2.381 1.00 61.14 H new ATOM 0 HA ARG A 63 14.776 -3.052 2.914 1.00 21.13 H new ATOM 0 HB2 ARG A 63 14.684 -0.798 3.976 1.00 64.42 H new ATOM 0 HB3 ARG A 63 13.222 -1.257 4.827 1.00 64.42 H new ATOM 0 HG2 ARG A 63 14.512 -3.060 6.020 1.00 43.05 H new ATOM 0 HG3 ARG A 63 15.971 -2.532 5.204 1.00 43.05 H new ATOM 0 HD2 ARG A 63 15.696 -0.254 6.253 1.00 60.03 H new ATOM 0 HD3 ARG A 63 14.291 -0.845 7.117 1.00 60.03 H new ATOM 0 HE ARG A 63 17.119 -1.724 7.557 1.00 2.44 H new ATOM 0 HH11 ARG A 63 13.764 -1.841 8.601 1.00 12.23 H new ATOM 0 HH12 ARG A 63 14.203 -2.386 10.223 1.00 12.23 H new ATOM 0 HH21 ARG A 63 17.611 -2.371 9.588 1.00 45.23 H new ATOM 0 HH22 ARG A 63 16.332 -2.680 10.767 1.00 45.23 H new ATOM 1021 N ALA A 64 13.390 -5.093 3.454 1.00 75.53 N ATOM 1022 CA ALA A 64 12.728 -6.373 3.839 1.00 72.44 C ATOM 1023 C ALA A 64 11.170 -6.325 3.731 1.00 72.25 C ATOM 1024 O ALA A 64 10.599 -6.670 2.689 1.00 72.03 O ATOM 1025 CB ALA A 64 13.194 -6.831 5.237 1.00 10.24 C ATOM 0 H ALA A 64 14.178 -5.233 2.821 1.00 75.53 H new ATOM 0 HA ALA A 64 13.045 -7.119 3.110 1.00 72.44 H new ATOM 0 HB1 ALA A 64 12.699 -7.766 5.497 1.00 10.24 H new ATOM 0 HB2 ALA A 64 14.273 -6.982 5.229 1.00 10.24 H new ATOM 0 HB3 ALA A 64 12.940 -6.069 5.973 1.00 10.24 H new ATOM 1031 N TYR A 65 10.502 -5.870 4.815 1.00 11.25 N ATOM 1032 CA TYR A 65 9.031 -5.668 4.860 1.00 30.55 C ATOM 1033 C TYR A 65 8.689 -4.323 5.563 1.00 3.32 C ATOM 1034 O TYR A 65 7.540 -3.863 5.506 1.00 31.13 O ATOM 1035 CB TYR A 65 8.342 -6.854 5.606 1.00 52.02 C ATOM 1036 CG TYR A 65 8.424 -6.791 7.150 1.00 21.53 C ATOM 1037 CD1 TYR A 65 9.637 -6.944 7.832 1.00 74.43 C ATOM 1038 CD2 TYR A 65 7.279 -6.553 7.922 1.00 22.43 C ATOM 1039 CE1 TYR A 65 9.695 -6.870 9.217 1.00 70.33 C ATOM 1040 CE2 TYR A 65 7.333 -6.478 9.298 1.00 21.11 C ATOM 1041 CZ TYR A 65 8.538 -6.637 9.944 1.00 72.53 C ATOM 1042 OH TYR A 65 8.585 -6.567 11.325 1.00 4.25 O ATOM 0 H TYR A 65 10.969 -5.630 5.690 1.00 11.25 H new ATOM 0 HA TYR A 65 8.657 -5.633 3.837 1.00 30.55 H new ATOM 0 HB2 TYR A 65 7.292 -6.887 5.314 1.00 52.02 H new ATOM 0 HB3 TYR A 65 8.795 -7.787 5.271 1.00 52.02 H new ATOM 0 HD1 TYR A 65 10.543 -7.123 7.271 1.00 74.43 H new ATOM 0 HD2 TYR A 65 6.328 -6.425 7.426 1.00 22.43 H new ATOM 0 HE1 TYR A 65 10.639 -6.994 9.727 1.00 70.33 H new ATOM 0 HE2 TYR A 65 6.433 -6.295 9.867 1.00 21.11 H new ATOM 0 HH TYR A 65 7.754 -6.170 11.661 1.00 4.25 H new ATOM 1052 N SER A 66 9.717 -3.712 6.219 1.00 45.10 N ATOM 1053 CA SER A 66 9.578 -2.498 7.059 1.00 32.45 C ATOM 1054 C SER A 66 8.947 -1.343 6.270 1.00 61.42 C ATOM 1055 O SER A 66 8.112 -0.617 6.797 1.00 54.22 O ATOM 1056 CB SER A 66 10.966 -2.057 7.592 1.00 41.24 C ATOM 1057 OG SER A 66 11.643 -3.125 8.239 1.00 34.51 O ATOM 0 H SER A 66 10.676 -4.058 6.175 1.00 45.10 H new ATOM 0 HA SER A 66 8.923 -2.746 7.895 1.00 32.45 H new ATOM 0 HB2 SER A 66 11.573 -1.689 6.765 1.00 41.24 H new ATOM 0 HB3 SER A 66 10.842 -1.229 8.290 1.00 41.24 H new ATOM 0 HG SER A 66 11.964 -2.826 9.115 1.00 34.51 H new ATOM 1063 N PHE A 67 9.391 -1.195 5.009 1.00 71.10 N ATOM 1064 CA PHE A 67 8.803 -0.247 4.033 1.00 14.43 C ATOM 1065 C PHE A 67 9.141 -0.654 2.581 1.00 54.12 C ATOM 1066 O PHE A 67 10.122 -1.363 2.333 1.00 73.00 O ATOM 1067 CB PHE A 67 9.257 1.220 4.312 1.00 55.02 C ATOM 1068 CG PHE A 67 10.773 1.449 4.296 1.00 65.12 C ATOM 1069 CD1 PHE A 67 11.448 1.736 3.107 1.00 45.23 C ATOM 1070 CD2 PHE A 67 11.523 1.384 5.473 1.00 62.12 C ATOM 1071 CE1 PHE A 67 12.810 1.954 3.093 1.00 0.14 C ATOM 1072 CE2 PHE A 67 12.889 1.602 5.457 1.00 11.34 C ATOM 1073 CZ PHE A 67 13.532 1.890 4.266 1.00 51.23 C ATOM 0 H PHE A 67 10.173 -1.731 4.632 1.00 71.10 H new ATOM 0 HA PHE A 67 7.721 -0.291 4.155 1.00 14.43 H new ATOM 0 HB2 PHE A 67 8.799 1.873 3.568 1.00 55.02 H new ATOM 0 HB3 PHE A 67 8.870 1.524 5.285 1.00 55.02 H new ATOM 0 HD1 PHE A 67 10.893 1.788 2.182 1.00 45.23 H new ATOM 0 HD2 PHE A 67 11.030 1.161 6.408 1.00 62.12 H new ATOM 0 HE1 PHE A 67 13.311 2.175 2.162 1.00 0.14 H new ATOM 0 HE2 PHE A 67 13.454 1.547 6.375 1.00 11.34 H new ATOM 0 HZ PHE A 67 14.598 2.064 4.255 1.00 51.23 H new ATOM 1083 N ILE A 68 8.308 -0.191 1.638 1.00 4.12 N ATOM 1084 CA ILE A 68 8.509 -0.392 0.188 1.00 25.42 C ATOM 1085 C ILE A 68 7.862 0.776 -0.599 1.00 74.34 C ATOM 1086 O ILE A 68 6.809 1.280 -0.217 1.00 63.42 O ATOM 1087 CB ILE A 68 7.934 -1.785 -0.282 1.00 23.54 C ATOM 1088 CG1 ILE A 68 8.272 -2.066 -1.784 1.00 43.04 C ATOM 1089 CG2 ILE A 68 6.412 -1.885 -0.014 1.00 52.53 C ATOM 1090 CD1 ILE A 68 7.873 -3.450 -2.273 1.00 21.03 C ATOM 0 H ILE A 68 7.465 0.340 1.859 1.00 4.12 H new ATOM 0 HA ILE A 68 9.580 -0.400 -0.017 1.00 25.42 H new ATOM 0 HB ILE A 68 8.422 -2.559 0.311 1.00 23.54 H new ATOM 0 HG12 ILE A 68 7.773 -1.319 -2.401 1.00 43.04 H new ATOM 0 HG13 ILE A 68 9.344 -1.938 -1.932 1.00 43.04 H new ATOM 0 HG21 ILE A 68 6.047 -2.856 -0.349 1.00 52.53 H new ATOM 0 HG22 ILE A 68 6.223 -1.774 1.054 1.00 52.53 H new ATOM 0 HG23 ILE A 68 5.894 -1.095 -0.558 1.00 52.53 H new ATOM 0 HD11 ILE A 68 8.144 -3.557 -3.323 1.00 21.03 H new ATOM 0 HD12 ILE A 68 8.392 -4.207 -1.685 1.00 21.03 H new ATOM 0 HD13 ILE A 68 6.796 -3.579 -2.162 1.00 21.03 H new ATOM 1102 N ARG A 69 8.519 1.232 -1.682 1.00 53.43 N ATOM 1103 CA ARG A 69 8.048 2.386 -2.487 1.00 71.52 C ATOM 1104 C ARG A 69 8.063 2.063 -3.992 1.00 43.04 C ATOM 1105 O ARG A 69 8.964 1.375 -4.475 1.00 52.11 O ATOM 1106 CB ARG A 69 8.936 3.638 -2.252 1.00 53.44 C ATOM 1107 CG ARG A 69 9.001 4.184 -0.807 1.00 43.23 C ATOM 1108 CD ARG A 69 10.099 3.549 0.063 1.00 42.25 C ATOM 1109 NE ARG A 69 10.168 4.170 1.393 1.00 74.12 N ATOM 1110 CZ ARG A 69 10.959 5.170 1.743 1.00 30.13 C ATOM 1111 NH1 ARG A 69 11.846 5.659 0.932 1.00 12.30 N ATOM 1112 NH2 ARG A 69 10.847 5.662 2.928 1.00 14.54 N ATOM 0 H ARG A 69 9.385 0.818 -2.026 1.00 53.43 H new ATOM 0 HA ARG A 69 7.027 2.592 -2.165 1.00 71.52 H new ATOM 0 HB2 ARG A 69 9.951 3.400 -2.571 1.00 53.44 H new ATOM 0 HB3 ARG A 69 8.577 4.436 -2.901 1.00 53.44 H new ATOM 0 HG2 ARG A 69 9.162 5.261 -0.845 1.00 43.23 H new ATOM 0 HG3 ARG A 69 8.036 4.023 -0.327 1.00 43.23 H new ATOM 0 HD2 ARG A 69 9.906 2.481 0.170 1.00 42.25 H new ATOM 0 HD3 ARG A 69 11.063 3.651 -0.436 1.00 42.25 H new ATOM 0 HE ARG A 69 9.549 3.795 2.112 1.00 74.12 H new ATOM 0 HH11 ARG A 69 11.948 5.271 -0.006 1.00 12.30 H new ATOM 0 HH12 ARG A 69 12.441 6.431 1.232 1.00 12.30 H new ATOM 0 HH21 ARG A 69 10.158 5.280 3.576 1.00 14.54 H new ATOM 0 HH22 ARG A 69 11.447 6.434 3.219 1.00 14.54 H new ATOM 1126 N PHE A 70 7.069 2.597 -4.724 1.00 64.31 N ATOM 1127 CA PHE A 70 7.012 2.529 -6.205 1.00 74.11 C ATOM 1128 C PHE A 70 6.705 3.920 -6.810 1.00 51.32 C ATOM 1129 O PHE A 70 6.114 4.793 -6.157 1.00 25.41 O ATOM 1130 CB PHE A 70 5.942 1.513 -6.689 1.00 34.23 C ATOM 1131 CG PHE A 70 6.220 0.051 -6.351 1.00 24.44 C ATOM 1132 CD1 PHE A 70 5.792 -0.499 -5.143 1.00 40.33 C ATOM 1133 CD2 PHE A 70 6.904 -0.777 -7.247 1.00 72.35 C ATOM 1134 CE1 PHE A 70 6.040 -1.819 -4.841 1.00 3.41 C ATOM 1135 CE2 PHE A 70 7.147 -2.102 -6.939 1.00 52.33 C ATOM 1136 CZ PHE A 70 6.718 -2.622 -5.737 1.00 73.14 C ATOM 0 H PHE A 70 6.278 3.090 -4.309 1.00 64.31 H new ATOM 0 HA PHE A 70 7.992 2.194 -6.546 1.00 74.11 H new ATOM 0 HB2 PHE A 70 4.981 1.791 -6.256 1.00 34.23 H new ATOM 0 HB3 PHE A 70 5.843 1.605 -7.771 1.00 34.23 H new ATOM 0 HD1 PHE A 70 5.259 0.119 -4.435 1.00 40.33 H new ATOM 0 HD2 PHE A 70 7.246 -0.376 -8.190 1.00 72.35 H new ATOM 0 HE1 PHE A 70 5.703 -2.228 -3.900 1.00 3.41 H new ATOM 0 HE2 PHE A 70 7.674 -2.731 -7.641 1.00 52.33 H new ATOM 0 HZ PHE A 70 6.912 -3.657 -5.496 1.00 73.14 H new ATOM 1146 N HIS A 71 7.123 4.091 -8.069 1.00 24.01 N ATOM 1147 CA HIS A 71 6.835 5.274 -8.900 1.00 33.25 C ATOM 1148 C HIS A 71 6.564 4.799 -10.337 1.00 54.30 C ATOM 1149 O HIS A 71 7.455 4.227 -10.969 1.00 41.31 O ATOM 1150 CB HIS A 71 8.034 6.269 -8.872 1.00 14.24 C ATOM 1151 CG HIS A 71 7.930 7.428 -9.840 1.00 34.52 C ATOM 1152 ND1 HIS A 71 8.410 7.372 -11.132 1.00 4.34 N ATOM 1153 CD2 HIS A 71 7.394 8.664 -9.707 1.00 13.55 C ATOM 1154 CE1 HIS A 71 8.173 8.511 -11.743 1.00 12.21 C ATOM 1155 NE2 HIS A 71 7.556 9.309 -10.905 1.00 71.51 N ATOM 0 H HIS A 71 7.687 3.393 -8.555 1.00 24.01 H new ATOM 0 HA HIS A 71 5.962 5.797 -8.509 1.00 33.25 H new ATOM 0 HB2 HIS A 71 8.132 6.667 -7.862 1.00 14.24 H new ATOM 0 HB3 HIS A 71 8.949 5.717 -9.087 1.00 14.24 H new ATOM 0 HD2 HIS A 71 6.926 9.067 -8.821 1.00 13.55 H new ATOM 0 HE1 HIS A 71 8.441 8.749 -12.762 1.00 12.21 H new ATOM 0 HE2 HIS A 71 7.246 10.258 -11.112 1.00 71.51 H new ATOM 1164 N TRP A 72 5.345 5.036 -10.846 1.00 14.44 N ATOM 1165 CA TRP A 72 4.979 4.656 -12.226 1.00 23.14 C ATOM 1166 C TRP A 72 5.833 5.431 -13.270 1.00 50.11 C ATOM 1167 O TRP A 72 5.939 6.657 -13.203 1.00 40.44 O ATOM 1168 CB TRP A 72 3.464 4.885 -12.491 1.00 24.33 C ATOM 1169 CG TRP A 72 2.536 3.873 -11.847 1.00 52.43 C ATOM 1170 CD1 TRP A 72 2.426 2.546 -12.162 1.00 21.35 C ATOM 1171 CD2 TRP A 72 1.557 4.119 -10.826 1.00 24.11 C ATOM 1172 NE1 TRP A 72 1.470 1.953 -11.379 1.00 14.24 N ATOM 1173 CE2 TRP A 72 0.917 2.896 -10.554 1.00 74.11 C ATOM 1174 CE3 TRP A 72 1.171 5.253 -10.109 1.00 75.03 C ATOM 1175 CZ2 TRP A 72 -0.093 2.776 -9.600 1.00 14.52 C ATOM 1176 CZ3 TRP A 72 0.168 5.141 -9.162 1.00 74.13 C ATOM 1177 CH2 TRP A 72 -0.454 3.907 -8.914 1.00 31.23 C ATOM 0 H TRP A 72 4.594 5.489 -10.325 1.00 14.44 H new ATOM 0 HA TRP A 72 5.188 3.592 -12.335 1.00 23.14 H new ATOM 0 HB2 TRP A 72 3.195 5.879 -12.134 1.00 24.33 H new ATOM 0 HB3 TRP A 72 3.294 4.876 -13.568 1.00 24.33 H new ATOM 0 HD1 TRP A 72 3.008 2.039 -12.918 1.00 21.35 H new ATOM 0 HE1 TRP A 72 1.212 0.967 -11.406 1.00 14.24 H new ATOM 0 HE3 TRP A 72 1.648 6.204 -10.291 1.00 75.03 H new ATOM 0 HZ2 TRP A 72 -0.573 1.828 -9.409 1.00 14.52 H new ATOM 0 HZ3 TRP A 72 -0.140 6.014 -8.606 1.00 74.13 H new ATOM 0 HH2 TRP A 72 -1.233 3.847 -8.168 1.00 31.23 H new ATOM 1188 N LEU A 73 6.479 4.680 -14.190 1.00 15.51 N ATOM 1189 CA LEU A 73 7.119 5.250 -15.400 1.00 74.42 C ATOM 1190 C LEU A 73 6.023 5.887 -16.277 1.00 24.44 C ATOM 1191 O LEU A 73 6.165 7.012 -16.767 1.00 54.33 O ATOM 1192 CB LEU A 73 7.899 4.155 -16.195 1.00 32.35 C ATOM 1193 CG LEU A 73 9.269 3.683 -15.603 1.00 14.34 C ATOM 1194 CD1 LEU A 73 10.261 4.855 -15.470 1.00 13.10 C ATOM 1195 CD2 LEU A 73 9.101 2.937 -14.272 1.00 2.32 C ATOM 0 H LEU A 73 6.572 3.667 -14.117 1.00 15.51 H new ATOM 0 HA LEU A 73 7.844 6.008 -15.105 1.00 74.42 H new ATOM 0 HB2 LEU A 73 7.253 3.282 -16.291 1.00 32.35 H new ATOM 0 HB3 LEU A 73 8.078 4.531 -17.202 1.00 32.35 H new ATOM 0 HG LEU A 73 9.690 2.972 -16.313 1.00 14.34 H new ATOM 0 HD11 LEU A 73 11.201 4.491 -15.056 1.00 13.10 H new ATOM 0 HD12 LEU A 73 10.442 5.292 -16.452 1.00 13.10 H new ATOM 0 HD13 LEU A 73 9.842 5.613 -14.808 1.00 13.10 H new ATOM 0 HD21 LEU A 73 10.079 2.630 -13.901 1.00 2.32 H new ATOM 0 HD22 LEU A 73 8.627 3.595 -13.544 1.00 2.32 H new ATOM 0 HD23 LEU A 73 8.478 2.056 -14.425 1.00 2.32 H new ATOM 1207 N ASP A 74 4.917 5.143 -16.432 1.00 72.22 N ATOM 1208 CA ASP A 74 3.659 5.657 -16.994 1.00 41.31 C ATOM 1209 C ASP A 74 2.819 6.282 -15.847 1.00 40.23 C ATOM 1210 O ASP A 74 1.766 5.755 -15.460 1.00 70.44 O ATOM 1211 CB ASP A 74 2.893 4.505 -17.706 1.00 41.40 C ATOM 1212 CG ASP A 74 3.747 3.796 -18.772 1.00 2.22 C ATOM 1213 OD1 ASP A 74 4.551 2.916 -18.401 1.00 2.53 O ATOM 1214 OD2 ASP A 74 3.621 4.123 -19.970 1.00 23.12 O ATOM 0 H ASP A 74 4.871 4.159 -16.168 1.00 72.22 H new ATOM 0 HA ASP A 74 3.858 6.428 -17.738 1.00 41.31 H new ATOM 0 HB2 ASP A 74 2.568 3.777 -16.963 1.00 41.40 H new ATOM 0 HB3 ASP A 74 1.994 4.906 -18.174 1.00 41.40 H new ATOM 1219 N ASP A 75 3.348 7.377 -15.259 1.00 5.34 N ATOM 1220 CA ASP A 75 2.708 8.085 -14.129 1.00 44.03 C ATOM 1221 C ASP A 75 1.403 8.783 -14.577 1.00 11.23 C ATOM 1222 O ASP A 75 1.360 9.422 -15.635 1.00 1.03 O ATOM 1223 CB ASP A 75 3.705 9.081 -13.478 1.00 62.33 C ATOM 1224 CG ASP A 75 4.315 10.081 -14.469 1.00 71.55 C ATOM 1225 OD1 ASP A 75 5.277 9.710 -15.181 1.00 52.34 O ATOM 1226 OD2 ASP A 75 3.850 11.240 -14.536 1.00 13.32 O ATOM 0 H ASP A 75 4.230 7.795 -15.554 1.00 5.34 H new ATOM 0 HA ASP A 75 2.432 7.351 -13.371 1.00 44.03 H new ATOM 0 HB2 ASP A 75 3.192 9.632 -12.690 1.00 62.33 H new ATOM 0 HB3 ASP A 75 4.508 8.518 -13.003 1.00 62.33 H new ATOM 1231 N GLU A 76 0.344 8.641 -13.764 1.00 4.15 N ATOM 1232 CA GLU A 76 -1.031 9.026 -14.151 1.00 65.41 C ATOM 1233 C GLU A 76 -1.471 10.384 -13.543 1.00 54.22 C ATOM 1234 O GLU A 76 -2.114 11.190 -14.232 1.00 53.12 O ATOM 1235 CB GLU A 76 -2.018 7.894 -13.754 1.00 65.31 C ATOM 1236 CG GLU A 76 -3.467 8.124 -14.224 1.00 4.43 C ATOM 1237 CD GLU A 76 -4.386 6.914 -13.995 1.00 13.32 C ATOM 1238 OE1 GLU A 76 -4.950 6.782 -12.888 1.00 11.23 O ATOM 1239 OE2 GLU A 76 -4.565 6.103 -14.930 1.00 30.42 O ATOM 0 H GLU A 76 0.412 8.257 -12.821 1.00 4.15 H new ATOM 0 HA GLU A 76 -1.043 9.161 -15.232 1.00 65.41 H new ATOM 0 HB2 GLU A 76 -1.659 6.952 -14.169 1.00 65.31 H new ATOM 0 HB3 GLU A 76 -2.013 7.787 -12.669 1.00 65.31 H new ATOM 0 HG2 GLU A 76 -3.878 8.987 -13.699 1.00 4.43 H new ATOM 0 HG3 GLU A 76 -3.461 8.370 -15.286 1.00 4.43 H new ATOM 1246 N ASN A 77 -1.154 10.629 -12.254 1.00 54.43 N ATOM 1247 CA ASN A 77 -1.500 11.908 -11.582 1.00 73.24 C ATOM 1248 C ASN A 77 -0.572 13.051 -12.072 1.00 64.21 C ATOM 1249 O ASN A 77 -0.974 13.866 -12.918 1.00 55.02 O ATOM 1250 CB ASN A 77 -1.437 11.759 -10.038 1.00 32.24 C ATOM 1251 CG ASN A 77 -2.408 10.710 -9.486 1.00 45.01 C ATOM 1252 OD1 ASN A 77 -3.551 11.014 -9.156 1.00 71.30 O ATOM 1253 ND2 ASN A 77 -1.963 9.473 -9.377 1.00 52.13 N ATOM 0 H ASN A 77 -0.662 9.964 -11.657 1.00 54.43 H new ATOM 0 HA ASN A 77 -2.525 12.167 -11.848 1.00 73.24 H new ATOM 0 HB2 ASN A 77 -0.421 11.491 -9.748 1.00 32.24 H new ATOM 0 HB3 ASN A 77 -1.656 12.723 -9.578 1.00 32.24 H new ATOM 0 HD21 ASN A 77 -2.573 8.742 -9.011 1.00 52.13 H new ATOM 0 HD22 ASN A 77 -1.009 9.248 -9.659 1.00 52.13 H new ATOM 1260 N GLU A 78 0.682 13.053 -11.564 1.00 23.11 N ATOM 1261 CA GLU A 78 1.716 14.060 -11.910 1.00 75.12 C ATOM 1262 C GLU A 78 3.020 13.765 -11.136 1.00 21.30 C ATOM 1263 O GLU A 78 4.126 13.884 -11.672 1.00 32.03 O ATOM 1264 CB GLU A 78 1.253 15.511 -11.571 1.00 32.42 C ATOM 1265 CG GLU A 78 2.127 16.605 -12.220 1.00 2.12 C ATOM 1266 CD GLU A 78 1.749 18.038 -11.807 1.00 52.24 C ATOM 1267 OE1 GLU A 78 0.689 18.526 -12.240 1.00 14.20 O ATOM 1268 OE2 GLU A 78 2.520 18.684 -11.060 1.00 0.05 O ATOM 0 H GLU A 78 1.008 12.352 -10.898 1.00 23.11 H new ATOM 0 HA GLU A 78 1.885 13.992 -12.985 1.00 75.12 H new ATOM 0 HB2 GLU A 78 0.221 15.640 -11.898 1.00 32.42 H new ATOM 0 HB3 GLU A 78 1.263 15.643 -10.489 1.00 32.42 H new ATOM 0 HG2 GLU A 78 3.169 16.426 -11.957 1.00 2.12 H new ATOM 0 HG3 GLU A 78 2.052 16.519 -13.304 1.00 2.12 H new ATOM 1275 N ARG A 79 2.862 13.401 -9.855 1.00 53.20 N ATOM 1276 CA ARG A 79 3.987 13.225 -8.910 1.00 21.12 C ATOM 1277 C ARG A 79 3.845 11.854 -8.185 1.00 72.42 C ATOM 1278 O ARG A 79 3.955 11.761 -6.957 1.00 70.11 O ATOM 1279 CB ARG A 79 3.982 14.436 -7.914 1.00 10.55 C ATOM 1280 CG ARG A 79 5.336 14.728 -7.225 1.00 40.23 C ATOM 1281 CD ARG A 79 6.441 15.130 -8.224 1.00 65.32 C ATOM 1282 NE ARG A 79 7.688 15.507 -7.539 1.00 51.11 N ATOM 1283 CZ ARG A 79 8.858 15.683 -8.111 1.00 65.14 C ATOM 1284 NH1 ARG A 79 9.053 15.425 -9.366 1.00 64.14 N ATOM 1285 NH2 ARG A 79 9.847 16.087 -7.389 1.00 44.32 N ATOM 0 H ARG A 79 1.949 13.218 -9.439 1.00 53.20 H new ATOM 0 HA ARG A 79 4.946 13.213 -9.428 1.00 21.12 H new ATOM 0 HB2 ARG A 79 3.668 15.329 -8.454 1.00 10.55 H new ATOM 0 HB3 ARG A 79 3.234 14.249 -7.144 1.00 10.55 H new ATOM 0 HG2 ARG A 79 5.203 15.528 -6.497 1.00 40.23 H new ATOM 0 HG3 ARG A 79 5.656 13.844 -6.673 1.00 40.23 H new ATOM 0 HD2 ARG A 79 6.636 14.300 -8.903 1.00 65.32 H new ATOM 0 HD3 ARG A 79 6.094 15.965 -8.833 1.00 65.32 H new ATOM 0 HE ARG A 79 7.640 15.644 -6.529 1.00 51.11 H new ATOM 0 HH11 ARG A 79 8.286 15.075 -9.940 1.00 64.14 H new ATOM 0 HH12 ARG A 79 9.973 15.572 -9.780 1.00 64.14 H new ATOM 0 HH21 ARG A 79 9.713 16.264 -6.393 1.00 44.32 H new ATOM 0 HH22 ARG A 79 10.763 16.230 -7.813 1.00 44.32 H new ATOM 1299 N ASP A 80 3.629 10.798 -9.001 1.00 42.12 N ATOM 1300 CA ASP A 80 3.167 9.456 -8.556 1.00 50.11 C ATOM 1301 C ASP A 80 4.172 8.707 -7.644 1.00 14.51 C ATOM 1302 O ASP A 80 4.958 7.878 -8.096 1.00 25.50 O ATOM 1303 CB ASP A 80 2.780 8.599 -9.790 1.00 31.02 C ATOM 1304 CG ASP A 80 1.577 9.172 -10.563 1.00 64.11 C ATOM 1305 OD1 ASP A 80 1.648 10.331 -11.015 1.00 71.44 O ATOM 1306 OD2 ASP A 80 0.550 8.475 -10.714 1.00 74.25 O ATOM 0 H ASP A 80 3.773 10.852 -10.009 1.00 42.12 H new ATOM 0 HA ASP A 80 2.290 9.621 -7.930 1.00 50.11 H new ATOM 0 HB2 ASP A 80 3.636 8.529 -10.461 1.00 31.02 H new ATOM 0 HB3 ASP A 80 2.547 7.585 -9.464 1.00 31.02 H new ATOM 1311 N TYR A 81 4.127 9.034 -6.346 1.00 31.43 N ATOM 1312 CA TYR A 81 4.900 8.353 -5.289 1.00 32.33 C ATOM 1313 C TYR A 81 3.921 7.776 -4.252 1.00 54.12 C ATOM 1314 O TYR A 81 3.164 8.527 -3.620 1.00 10.23 O ATOM 1315 CB TYR A 81 5.892 9.355 -4.623 1.00 4.02 C ATOM 1316 CG TYR A 81 6.652 8.804 -3.396 1.00 11.14 C ATOM 1317 CD1 TYR A 81 7.770 7.977 -3.547 1.00 42.23 C ATOM 1318 CD2 TYR A 81 6.251 9.117 -2.086 1.00 33.33 C ATOM 1319 CE1 TYR A 81 8.451 7.488 -2.447 1.00 52.35 C ATOM 1320 CE2 TYR A 81 6.930 8.627 -0.988 1.00 62.23 C ATOM 1321 CZ TYR A 81 8.027 7.815 -1.171 1.00 44.02 C ATOM 1322 OH TYR A 81 8.708 7.333 -0.072 1.00 35.04 O ATOM 0 H TYR A 81 3.544 9.792 -5.991 1.00 31.43 H new ATOM 0 HA TYR A 81 5.485 7.540 -5.719 1.00 32.33 H new ATOM 0 HB2 TYR A 81 6.620 9.673 -5.370 1.00 4.02 H new ATOM 0 HB3 TYR A 81 5.338 10.243 -4.320 1.00 4.02 H new ATOM 0 HD1 TYR A 81 8.107 7.716 -4.539 1.00 42.23 H new ATOM 0 HD2 TYR A 81 5.393 9.755 -1.935 1.00 33.33 H new ATOM 0 HE1 TYR A 81 9.313 6.852 -2.584 1.00 52.35 H new ATOM 0 HE2 TYR A 81 6.602 8.879 0.010 1.00 62.23 H new ATOM 0 HH TYR A 81 8.070 7.116 0.639 1.00 35.04 H new ATOM 1332 N PHE A 82 3.928 6.446 -4.087 1.00 53.15 N ATOM 1333 CA PHE A 82 3.115 5.764 -3.062 1.00 4.21 C ATOM 1334 C PHE A 82 3.987 4.758 -2.271 1.00 72.44 C ATOM 1335 O PHE A 82 4.603 3.846 -2.845 1.00 51.15 O ATOM 1336 CB PHE A 82 1.848 5.098 -3.686 1.00 73.14 C ATOM 1337 CG PHE A 82 2.093 4.037 -4.770 1.00 52.52 C ATOM 1338 CD1 PHE A 82 2.508 4.398 -6.056 1.00 24.12 C ATOM 1339 CD2 PHE A 82 1.882 2.678 -4.509 1.00 60.50 C ATOM 1340 CE1 PHE A 82 2.704 3.440 -7.034 1.00 25.33 C ATOM 1341 CE2 PHE A 82 2.074 1.723 -5.491 1.00 45.44 C ATOM 1342 CZ PHE A 82 2.484 2.105 -6.752 1.00 64.11 C ATOM 0 H PHE A 82 4.492 5.813 -4.654 1.00 53.15 H new ATOM 0 HA PHE A 82 2.748 6.508 -2.355 1.00 4.21 H new ATOM 0 HB2 PHE A 82 1.274 4.638 -2.882 1.00 73.14 H new ATOM 0 HB3 PHE A 82 1.225 5.884 -4.113 1.00 73.14 H new ATOM 0 HD1 PHE A 82 2.678 5.439 -6.288 1.00 24.12 H new ATOM 0 HD2 PHE A 82 1.564 2.370 -3.524 1.00 60.50 H new ATOM 0 HE1 PHE A 82 3.030 3.736 -8.020 1.00 25.33 H new ATOM 0 HE2 PHE A 82 1.903 0.680 -5.271 1.00 45.44 H new ATOM 0 HZ PHE A 82 2.633 1.360 -7.519 1.00 64.11 H new ATOM 1352 N GLU A 83 4.074 4.983 -0.952 1.00 14.41 N ATOM 1353 CA GLU A 83 4.834 4.136 -0.019 1.00 73.21 C ATOM 1354 C GLU A 83 3.880 3.279 0.828 1.00 5.31 C ATOM 1355 O GLU A 83 2.831 3.750 1.262 1.00 74.11 O ATOM 1356 CB GLU A 83 5.708 5.027 0.902 1.00 70.12 C ATOM 1357 CG GLU A 83 6.541 4.256 1.964 1.00 72.22 C ATOM 1358 CD GLU A 83 7.470 5.134 2.826 1.00 30.00 C ATOM 1359 OE1 GLU A 83 7.559 6.361 2.601 1.00 75.31 O ATOM 1360 OE2 GLU A 83 8.158 4.580 3.719 1.00 4.13 O ATOM 0 H GLU A 83 3.612 5.770 -0.496 1.00 14.41 H new ATOM 0 HA GLU A 83 5.479 3.470 -0.593 1.00 73.21 H new ATOM 0 HB2 GLU A 83 6.389 5.608 0.280 1.00 70.12 H new ATOM 0 HB3 GLU A 83 5.060 5.737 1.416 1.00 70.12 H new ATOM 0 HG2 GLU A 83 5.857 3.722 2.623 1.00 72.22 H new ATOM 0 HG3 GLU A 83 7.145 3.505 1.455 1.00 72.22 H new ATOM 1367 N ILE A 84 4.253 2.013 1.036 1.00 71.30 N ATOM 1368 CA ILE A 84 3.539 1.085 1.926 1.00 4.51 C ATOM 1369 C ILE A 84 4.532 0.544 2.970 1.00 14.41 C ATOM 1370 O ILE A 84 5.573 -0.004 2.604 1.00 71.34 O ATOM 1371 CB ILE A 84 2.893 -0.138 1.156 1.00 70.14 C ATOM 1372 CG1 ILE A 84 1.891 0.320 0.027 1.00 51.30 C ATOM 1373 CG2 ILE A 84 2.204 -1.096 2.163 1.00 75.24 C ATOM 1374 CD1 ILE A 84 2.518 0.700 -1.304 1.00 42.31 C ATOM 0 H ILE A 84 5.069 1.596 0.587 1.00 71.30 H new ATOM 0 HA ILE A 84 2.725 1.641 2.392 1.00 4.51 H new ATOM 0 HB ILE A 84 3.698 -0.672 0.652 1.00 70.14 H new ATOM 0 HG12 ILE A 84 1.177 -0.485 -0.147 1.00 51.30 H new ATOM 0 HG13 ILE A 84 1.324 1.174 0.396 1.00 51.30 H new ATOM 0 HG21 ILE A 84 1.762 -1.934 1.624 1.00 75.24 H new ATOM 0 HG22 ILE A 84 2.942 -1.469 2.873 1.00 75.24 H new ATOM 0 HG23 ILE A 84 1.423 -0.558 2.700 1.00 75.24 H new ATOM 0 HD11 ILE A 84 1.736 0.998 -2.003 1.00 42.31 H new ATOM 0 HD12 ILE A 84 3.209 1.530 -1.157 1.00 42.31 H new ATOM 0 HD13 ILE A 84 3.060 -0.155 -1.708 1.00 42.31 H new ATOM 1386 N LYS A 85 4.232 0.711 4.261 1.00 4.00 N ATOM 1387 CA LYS A 85 5.065 0.149 5.345 1.00 51.20 C ATOM 1388 C LYS A 85 4.208 -0.695 6.312 1.00 70.30 C ATOM 1389 O LYS A 85 2.986 -0.507 6.408 1.00 42.52 O ATOM 1390 CB LYS A 85 5.794 1.300 6.096 1.00 23.42 C ATOM 1391 CG LYS A 85 4.973 2.009 7.192 1.00 32.02 C ATOM 1392 CD LYS A 85 5.656 3.280 7.733 1.00 11.04 C ATOM 1393 CE LYS A 85 7.067 3.031 8.294 1.00 74.42 C ATOM 1394 NZ LYS A 85 7.693 4.293 8.753 1.00 13.03 N ATOM 0 H LYS A 85 3.418 1.231 4.589 1.00 4.00 H new ATOM 0 HA LYS A 85 5.815 -0.512 4.911 1.00 51.20 H new ATOM 0 HB2 LYS A 85 6.699 0.897 6.550 1.00 23.42 H new ATOM 0 HB3 LYS A 85 6.108 2.044 5.365 1.00 23.42 H new ATOM 0 HG2 LYS A 85 3.994 2.273 6.791 1.00 32.02 H new ATOM 0 HG3 LYS A 85 4.804 1.316 8.016 1.00 32.02 H new ATOM 0 HD2 LYS A 85 5.717 4.018 6.933 1.00 11.04 H new ATOM 0 HD3 LYS A 85 5.033 3.711 8.517 1.00 11.04 H new ATOM 0 HE2 LYS A 85 7.012 2.327 9.124 1.00 74.42 H new ATOM 0 HE3 LYS A 85 7.690 2.571 7.527 1.00 74.42 H new ATOM 0 HZ1 LYS A 85 8.643 4.094 9.126 1.00 13.03 H new ATOM 0 HZ2 LYS A 85 7.766 4.955 7.954 1.00 13.03 H new ATOM 0 HZ3 LYS A 85 7.109 4.718 9.502 1.00 13.03 H new ATOM 1408 N MET A 86 4.860 -1.634 7.021 1.00 52.04 N ATOM 1409 CA MET A 86 4.226 -2.434 8.085 1.00 62.33 C ATOM 1410 C MET A 86 5.238 -2.724 9.211 1.00 64.10 C ATOM 1411 O MET A 86 6.358 -3.182 8.967 1.00 55.24 O ATOM 1412 CB MET A 86 3.619 -3.755 7.527 1.00 61.21 C ATOM 1413 CG MET A 86 4.527 -4.544 6.575 1.00 63.31 C ATOM 1414 SD MET A 86 3.846 -6.156 6.132 1.00 2.11 S ATOM 1415 CE MET A 86 2.233 -5.722 5.479 1.00 74.43 C ATOM 0 H MET A 86 5.843 -1.860 6.872 1.00 52.04 H new ATOM 0 HA MET A 86 3.403 -1.851 8.498 1.00 62.33 H new ATOM 0 HB2 MET A 86 3.356 -4.398 8.367 1.00 61.21 H new ATOM 0 HB3 MET A 86 2.692 -3.517 7.005 1.00 61.21 H new ATOM 0 HG2 MET A 86 4.688 -3.961 5.668 1.00 63.31 H new ATOM 0 HG3 MET A 86 5.502 -4.683 7.042 1.00 63.31 H new ATOM 0 HE1 MET A 86 1.946 -6.440 4.711 1.00 74.43 H new ATOM 0 HE2 MET A 86 1.498 -5.739 6.284 1.00 74.43 H new ATOM 0 HE3 MET A 86 2.273 -4.723 5.045 1.00 74.43 H new ATOM 1425 N SER A 87 4.823 -2.425 10.446 1.00 75.14 N ATOM 1426 CA SER A 87 5.611 -2.692 11.668 1.00 12.13 C ATOM 1427 C SER A 87 4.912 -3.778 12.493 1.00 41.12 C ATOM 1428 O SER A 87 3.720 -3.656 12.792 1.00 31.12 O ATOM 1429 CB SER A 87 5.763 -1.400 12.506 1.00 21.20 C ATOM 1430 OG SER A 87 6.469 -1.638 13.717 1.00 2.44 O ATOM 0 H SER A 87 3.922 -1.986 10.634 1.00 75.14 H new ATOM 0 HA SER A 87 6.606 -3.035 11.385 1.00 12.13 H new ATOM 0 HB2 SER A 87 6.289 -0.646 11.920 1.00 21.20 H new ATOM 0 HB3 SER A 87 4.777 -0.996 12.733 1.00 21.20 H new ATOM 0 HG SER A 87 6.548 -0.800 14.220 1.00 2.44 H new ATOM 1436 N TYR A 88 5.651 -4.820 12.897 1.00 1.11 N ATOM 1437 CA TYR A 88 5.054 -5.961 13.616 1.00 1.20 C ATOM 1438 C TYR A 88 5.149 -5.730 15.140 1.00 24.32 C ATOM 1439 O TYR A 88 6.219 -5.423 15.664 1.00 41.22 O ATOM 1440 CB TYR A 88 5.715 -7.299 13.204 1.00 40.25 C ATOM 1441 CG TYR A 88 5.092 -8.516 13.907 1.00 31.43 C ATOM 1442 CD1 TYR A 88 3.709 -8.728 13.890 1.00 54.30 C ATOM 1443 CD2 TYR A 88 5.869 -9.424 14.610 1.00 41.43 C ATOM 1444 CE1 TYR A 88 3.139 -9.794 14.549 1.00 4.13 C ATOM 1445 CE2 TYR A 88 5.305 -10.496 15.265 1.00 51.03 C ATOM 1446 CZ TYR A 88 3.940 -10.675 15.238 1.00 51.22 C ATOM 1447 OH TYR A 88 3.374 -11.735 15.905 1.00 10.34 O ATOM 0 H TYR A 88 6.656 -4.900 12.741 1.00 1.11 H new ATOM 0 HA TYR A 88 4.001 -6.030 13.341 1.00 1.20 H new ATOM 0 HB2 TYR A 88 5.627 -7.425 12.125 1.00 40.25 H new ATOM 0 HB3 TYR A 88 6.780 -7.258 13.434 1.00 40.25 H new ATOM 0 HD1 TYR A 88 3.075 -8.041 13.349 1.00 54.30 H new ATOM 0 HD2 TYR A 88 6.940 -9.288 14.645 1.00 41.43 H new ATOM 0 HE1 TYR A 88 2.069 -9.938 14.525 1.00 4.13 H new ATOM 0 HE2 TYR A 88 5.932 -11.195 15.799 1.00 51.03 H new ATOM 0 HH TYR A 88 4.077 -12.261 16.339 1.00 10.34 H new ATOM 1457 N ASN A 89 4.018 -5.920 15.837 1.00 74.44 N ATOM 1458 CA ASN A 89 3.866 -5.552 17.263 1.00 72.41 C ATOM 1459 C ASN A 89 4.514 -6.581 18.229 1.00 43.10 C ATOM 1460 O ASN A 89 4.700 -6.268 19.412 1.00 4.11 O ATOM 1461 CB ASN A 89 2.364 -5.377 17.608 1.00 41.31 C ATOM 1462 CG ASN A 89 1.654 -4.198 16.910 1.00 22.02 C ATOM 1463 OD1 ASN A 89 0.778 -3.563 17.487 1.00 42.44 O ATOM 1464 ND2 ASN A 89 1.976 -3.917 15.661 1.00 11.13 N ATOM 0 H ASN A 89 3.178 -6.334 15.431 1.00 74.44 H new ATOM 0 HA ASN A 89 4.395 -4.610 17.403 1.00 72.41 H new ATOM 0 HB2 ASN A 89 1.840 -6.298 17.350 1.00 41.31 H new ATOM 0 HB3 ASN A 89 2.270 -5.248 18.686 1.00 41.31 H new ATOM 0 HD21 ASN A 89 1.495 -3.166 15.167 1.00 11.13 H new ATOM 0 HD22 ASN A 89 2.706 -4.451 15.190 1.00 11.13 H new ATOM 1471 N GLU A 90 4.831 -7.801 17.712 1.00 71.43 N ATOM 1472 CA GLU A 90 5.454 -8.921 18.485 1.00 41.01 C ATOM 1473 C GLU A 90 4.493 -9.545 19.536 1.00 11.12 C ATOM 1474 O GLU A 90 4.026 -10.677 19.364 1.00 50.21 O ATOM 1475 CB GLU A 90 6.807 -8.496 19.143 1.00 44.43 C ATOM 1476 CG GLU A 90 7.948 -8.157 18.146 1.00 21.23 C ATOM 1477 CD GLU A 90 8.543 -9.388 17.434 1.00 4.24 C ATOM 1478 OE1 GLU A 90 8.954 -10.338 18.124 1.00 10.13 O ATOM 1479 OE2 GLU A 90 8.625 -9.403 16.194 1.00 24.20 O ATOM 0 H GLU A 90 4.660 -8.040 16.735 1.00 71.43 H new ATOM 0 HA GLU A 90 5.667 -9.701 17.754 1.00 41.01 H new ATOM 0 HB2 GLU A 90 6.628 -7.626 19.775 1.00 44.43 H new ATOM 0 HB3 GLU A 90 7.144 -9.301 19.796 1.00 44.43 H new ATOM 0 HG2 GLU A 90 7.567 -7.464 17.395 1.00 21.23 H new ATOM 0 HG3 GLU A 90 8.744 -7.640 18.682 1.00 21.23 H new ATOM 1486 N LEU A 91 4.174 -8.771 20.591 1.00 62.04 N ATOM 1487 CA LEU A 91 3.433 -9.241 21.783 1.00 33.31 C ATOM 1488 C LEU A 91 1.947 -9.530 21.479 1.00 11.22 C ATOM 1489 O LEU A 91 1.421 -10.582 21.857 1.00 2.12 O ATOM 1490 CB LEU A 91 3.540 -8.159 22.904 1.00 55.13 C ATOM 1491 CG LEU A 91 4.989 -7.804 23.383 1.00 23.40 C ATOM 1492 CD1 LEU A 91 4.982 -6.638 24.399 1.00 41.11 C ATOM 1493 CD2 LEU A 91 5.705 -9.044 23.967 1.00 44.21 C ATOM 0 H LEU A 91 4.427 -7.784 20.642 1.00 62.04 H new ATOM 0 HA LEU A 91 3.882 -10.180 22.107 1.00 33.31 H new ATOM 0 HB2 LEU A 91 3.064 -7.246 22.546 1.00 55.13 H new ATOM 0 HB3 LEU A 91 2.968 -8.501 23.766 1.00 55.13 H new ATOM 0 HG LEU A 91 5.549 -7.474 22.508 1.00 23.40 H new ATOM 0 HD11 LEU A 91 6.004 -6.419 24.709 1.00 41.11 H new ATOM 0 HD12 LEU A 91 4.547 -5.753 23.934 1.00 41.11 H new ATOM 0 HD13 LEU A 91 4.390 -6.918 25.271 1.00 41.11 H new ATOM 0 HD21 LEU A 91 6.708 -8.766 24.291 1.00 44.21 H new ATOM 0 HD22 LEU A 91 5.140 -9.422 24.819 1.00 44.21 H new ATOM 0 HD23 LEU A 91 5.772 -9.819 23.203 1.00 44.21 H new ATOM 1505 N THR A 92 1.272 -8.581 20.796 1.00 32.53 N ATOM 1506 CA THR A 92 -0.191 -8.669 20.548 1.00 4.14 C ATOM 1507 C THR A 92 -0.523 -9.378 19.211 1.00 15.10 C ATOM 1508 O THR A 92 -1.673 -9.769 18.979 1.00 64.33 O ATOM 1509 CB THR A 92 -0.875 -7.256 20.614 1.00 52.42 C ATOM 1510 OG1 THR A 92 -2.307 -7.384 20.514 1.00 51.05 O ATOM 1511 CG2 THR A 92 -0.364 -6.299 19.523 1.00 12.31 C ATOM 0 H THR A 92 1.711 -7.747 20.406 1.00 32.53 H new ATOM 0 HA THR A 92 -0.601 -9.283 21.350 1.00 4.14 H new ATOM 0 HB THR A 92 -0.609 -6.825 21.579 1.00 52.42 H new ATOM 0 HG1 THR A 92 -2.588 -7.208 19.592 1.00 51.05 H new ATOM 0 HG21 THR A 92 -0.870 -5.338 19.616 1.00 12.31 H new ATOM 0 HG22 THR A 92 0.710 -6.156 19.639 1.00 12.31 H new ATOM 0 HG23 THR A 92 -0.570 -6.724 18.541 1.00 12.31 H new ATOM 1519 N GLY A 93 0.499 -9.563 18.348 1.00 10.11 N ATOM 1520 CA GLY A 93 0.328 -10.264 17.060 1.00 52.33 C ATOM 1521 C GLY A 93 -0.393 -9.450 15.976 1.00 62.31 C ATOM 1522 O GLY A 93 -1.054 -10.022 15.107 1.00 53.13 O ATOM 0 H GLY A 93 1.450 -9.236 18.521 1.00 10.11 H new ATOM 0 HA2 GLY A 93 1.310 -10.552 16.686 1.00 52.33 H new ATOM 0 HA3 GLY A 93 -0.229 -11.185 17.234 1.00 52.33 H new ATOM 1526 N ASP A 94 -0.273 -8.113 16.036 1.00 41.40 N ATOM 1527 CA ASP A 94 -0.846 -7.199 15.017 1.00 32.43 C ATOM 1528 C ASP A 94 0.259 -6.490 14.200 1.00 51.04 C ATOM 1529 O ASP A 94 1.454 -6.616 14.486 1.00 75.20 O ATOM 1530 CB ASP A 94 -1.761 -6.146 15.696 1.00 54.35 C ATOM 1531 CG ASP A 94 -2.988 -6.771 16.375 1.00 21.24 C ATOM 1532 OD1 ASP A 94 -3.892 -7.237 15.662 1.00 3.40 O ATOM 1533 OD2 ASP A 94 -3.046 -6.822 17.621 1.00 25.44 O ATOM 0 H ASP A 94 0.221 -7.631 16.787 1.00 41.40 H new ATOM 0 HA ASP A 94 -1.437 -7.802 14.328 1.00 32.43 H new ATOM 0 HB2 ASP A 94 -1.183 -5.594 16.437 1.00 54.35 H new ATOM 0 HB3 ASP A 94 -2.093 -5.425 14.949 1.00 54.35 H new ATOM 1538 N TYR A 95 -0.176 -5.742 13.179 1.00 60.41 N ATOM 1539 CA TYR A 95 0.686 -4.881 12.345 1.00 0.35 C ATOM 1540 C TYR A 95 0.174 -3.425 12.382 1.00 64.41 C ATOM 1541 O TYR A 95 -1.026 -3.172 12.189 1.00 34.41 O ATOM 1542 CB TYR A 95 0.715 -5.389 10.866 1.00 23.12 C ATOM 1543 CG TYR A 95 1.674 -6.562 10.605 1.00 20.31 C ATOM 1544 CD1 TYR A 95 1.301 -7.889 10.832 1.00 25.45 C ATOM 1545 CD2 TYR A 95 2.965 -6.327 10.122 1.00 4.43 C ATOM 1546 CE1 TYR A 95 2.183 -8.930 10.591 1.00 32.44 C ATOM 1547 CE2 TYR A 95 3.842 -7.360 9.878 1.00 55.13 C ATOM 1548 CZ TYR A 95 3.451 -8.661 10.114 1.00 11.23 C ATOM 1549 OH TYR A 95 4.333 -9.699 9.879 1.00 2.21 O ATOM 0 H TYR A 95 -1.157 -5.714 12.900 1.00 60.41 H new ATOM 0 HA TYR A 95 1.698 -4.921 12.748 1.00 0.35 H new ATOM 0 HB2 TYR A 95 -0.293 -5.692 10.581 1.00 23.12 H new ATOM 0 HB3 TYR A 95 0.994 -4.559 10.217 1.00 23.12 H new ATOM 0 HD1 TYR A 95 0.310 -8.107 11.201 1.00 25.45 H new ATOM 0 HD2 TYR A 95 3.282 -5.311 9.936 1.00 4.43 H new ATOM 0 HE1 TYR A 95 1.880 -9.950 10.776 1.00 32.44 H new ATOM 0 HE2 TYR A 95 4.833 -7.152 9.503 1.00 55.13 H new ATOM 0 HH TYR A 95 3.844 -10.548 9.868 1.00 2.21 H new ATOM 1559 N VAL A 96 1.089 -2.473 12.645 1.00 60.20 N ATOM 1560 CA VAL A 96 0.845 -1.045 12.389 1.00 12.13 C ATOM 1561 C VAL A 96 1.075 -0.791 10.880 1.00 25.41 C ATOM 1562 O VAL A 96 2.218 -0.685 10.417 1.00 22.32 O ATOM 1563 CB VAL A 96 1.780 -0.125 13.264 1.00 31.10 C ATOM 1564 CG1 VAL A 96 1.503 1.379 12.994 1.00 42.33 C ATOM 1565 CG2 VAL A 96 1.625 -0.460 14.772 1.00 73.20 C ATOM 0 H VAL A 96 2.009 -2.671 13.037 1.00 60.20 H new ATOM 0 HA VAL A 96 -0.179 -0.793 12.667 1.00 12.13 H new ATOM 0 HB VAL A 96 2.812 -0.326 12.977 1.00 31.10 H new ATOM 0 HG11 VAL A 96 2.163 1.987 13.612 1.00 42.33 H new ATOM 0 HG12 VAL A 96 1.686 1.599 11.942 1.00 42.33 H new ATOM 0 HG13 VAL A 96 0.465 1.607 13.238 1.00 42.33 H new ATOM 0 HG21 VAL A 96 2.279 0.186 15.357 1.00 73.20 H new ATOM 0 HG22 VAL A 96 0.590 -0.300 15.076 1.00 73.20 H new ATOM 0 HG23 VAL A 96 1.897 -1.502 14.943 1.00 73.20 H new ATOM 1575 N LEU A 97 -0.024 -0.769 10.121 1.00 53.13 N ATOM 1576 CA LEU A 97 0.000 -0.689 8.649 1.00 31.43 C ATOM 1577 C LEU A 97 -0.179 0.765 8.192 1.00 11.11 C ATOM 1578 O LEU A 97 -1.246 1.331 8.353 1.00 11.34 O ATOM 1579 CB LEU A 97 -1.133 -1.583 8.083 1.00 41.45 C ATOM 1580 CG LEU A 97 -1.111 -1.827 6.544 1.00 42.12 C ATOM 1581 CD1 LEU A 97 0.209 -2.500 6.096 1.00 4.30 C ATOM 1582 CD2 LEU A 97 -2.351 -2.634 6.089 1.00 4.45 C ATOM 0 H LEU A 97 -0.966 -0.806 10.510 1.00 53.13 H new ATOM 0 HA LEU A 97 0.961 -1.041 8.276 1.00 31.43 H new ATOM 0 HB2 LEU A 97 -1.089 -2.550 8.584 1.00 41.45 H new ATOM 0 HB3 LEU A 97 -2.090 -1.131 8.345 1.00 41.45 H new ATOM 0 HG LEU A 97 -1.157 -0.855 6.053 1.00 42.12 H new ATOM 0 HD11 LEU A 97 0.190 -2.655 5.017 1.00 4.30 H new ATOM 0 HD12 LEU A 97 1.051 -1.858 6.356 1.00 4.30 H new ATOM 0 HD13 LEU A 97 0.317 -3.461 6.599 1.00 4.30 H new ATOM 0 HD21 LEU A 97 -2.309 -2.789 5.011 1.00 4.45 H new ATOM 0 HD22 LEU A 97 -2.362 -3.600 6.594 1.00 4.45 H new ATOM 0 HD23 LEU A 97 -3.257 -2.082 6.341 1.00 4.45 H new ATOM 1594 N GLU A 98 0.854 1.362 7.596 1.00 4.43 N ATOM 1595 CA GLU A 98 0.863 2.805 7.297 1.00 0.44 C ATOM 1596 C GLU A 98 1.255 3.032 5.820 1.00 44.10 C ATOM 1597 O GLU A 98 2.380 2.749 5.409 1.00 22.32 O ATOM 1598 CB GLU A 98 1.800 3.521 8.320 1.00 3.42 C ATOM 1599 CG GLU A 98 1.705 5.066 8.375 1.00 3.30 C ATOM 1600 CD GLU A 98 2.632 5.801 7.381 1.00 63.24 C ATOM 1601 OE1 GLU A 98 2.251 5.996 6.210 1.00 63.32 O ATOM 1602 OE2 GLU A 98 3.752 6.190 7.777 1.00 42.55 O ATOM 0 H GLU A 98 1.701 0.871 7.308 1.00 4.43 H new ATOM 0 HA GLU A 98 -0.129 3.242 7.411 1.00 0.44 H new ATOM 0 HB2 GLU A 98 1.583 3.130 9.314 1.00 3.42 H new ATOM 0 HB3 GLU A 98 2.830 3.250 8.088 1.00 3.42 H new ATOM 0 HG2 GLU A 98 0.675 5.361 8.177 1.00 3.30 H new ATOM 0 HG3 GLU A 98 1.943 5.396 9.386 1.00 3.30 H new ATOM 1609 N ILE A 99 0.282 3.487 5.013 1.00 44.14 N ATOM 1610 CA ILE A 99 0.469 3.783 3.575 1.00 65.13 C ATOM 1611 C ILE A 99 0.543 5.317 3.352 1.00 13.32 C ATOM 1612 O ILE A 99 -0.407 6.038 3.661 1.00 13.34 O ATOM 1613 CB ILE A 99 -0.702 3.155 2.693 1.00 43.33 C ATOM 1614 CG1 ILE A 99 -0.611 1.583 2.616 1.00 71.32 C ATOM 1615 CG2 ILE A 99 -0.729 3.756 1.251 1.00 14.21 C ATOM 1616 CD1 ILE A 99 -0.892 0.819 3.897 1.00 4.30 C ATOM 0 H ILE A 99 -0.668 3.663 5.340 1.00 44.14 H new ATOM 0 HA ILE A 99 1.407 3.328 3.258 1.00 65.13 H new ATOM 0 HB ILE A 99 -1.633 3.418 3.196 1.00 43.33 H new ATOM 0 HG12 ILE A 99 -1.311 1.239 1.854 1.00 71.32 H new ATOM 0 HG13 ILE A 99 0.389 1.317 2.274 1.00 71.32 H new ATOM 0 HG21 ILE A 99 -1.541 3.302 0.683 1.00 14.21 H new ATOM 0 HG22 ILE A 99 -0.885 4.833 1.309 1.00 14.21 H new ATOM 0 HG23 ILE A 99 0.220 3.553 0.754 1.00 14.21 H new ATOM 0 HD11 ILE A 99 -0.797 -0.251 3.711 1.00 4.30 H new ATOM 0 HD12 ILE A 99 -0.177 1.119 4.664 1.00 4.30 H new ATOM 0 HD13 ILE A 99 -1.904 1.040 4.238 1.00 4.30 H new ATOM 1628 N THR A 100 1.675 5.809 2.819 1.00 45.03 N ATOM 1629 CA THR A 100 1.826 7.224 2.420 1.00 71.11 C ATOM 1630 C THR A 100 1.427 7.414 0.938 1.00 32.34 C ATOM 1631 O THR A 100 2.182 7.081 0.020 1.00 24.21 O ATOM 1632 CB THR A 100 3.288 7.737 2.669 1.00 70.43 C ATOM 1633 OG1 THR A 100 3.572 7.726 4.081 1.00 54.52 O ATOM 1634 CG2 THR A 100 3.534 9.160 2.116 1.00 71.45 C ATOM 0 H THR A 100 2.507 5.243 2.652 1.00 45.03 H new ATOM 0 HA THR A 100 1.156 7.819 3.041 1.00 71.11 H new ATOM 0 HB THR A 100 3.953 7.060 2.133 1.00 70.43 H new ATOM 0 HG1 THR A 100 2.983 7.083 4.528 1.00 54.52 H new ATOM 0 HG21 THR A 100 4.563 9.457 2.320 1.00 71.45 H new ATOM 0 HG22 THR A 100 3.361 9.167 1.040 1.00 71.45 H new ATOM 0 HG23 THR A 100 2.852 9.861 2.598 1.00 71.45 H new ATOM 1642 N ASP A 101 0.207 7.919 0.736 1.00 52.41 N ATOM 1643 CA ASP A 101 -0.346 8.282 -0.586 1.00 15.53 C ATOM 1644 C ASP A 101 -0.376 9.834 -0.727 1.00 30.54 C ATOM 1645 O ASP A 101 -0.022 10.550 0.210 1.00 1.30 O ATOM 1646 CB ASP A 101 -1.772 7.653 -0.698 1.00 25.43 C ATOM 1647 CG ASP A 101 -2.520 8.000 -2.003 1.00 44.14 C ATOM 1648 OD1 ASP A 101 -2.003 7.667 -3.098 1.00 50.13 O ATOM 1649 OD2 ASP A 101 -3.593 8.646 -1.938 1.00 31.02 O ATOM 0 H ASP A 101 -0.445 8.094 1.501 1.00 52.41 H new ATOM 0 HA ASP A 101 0.272 7.897 -1.397 1.00 15.53 H new ATOM 0 HB2 ASP A 101 -1.685 6.569 -0.620 1.00 25.43 H new ATOM 0 HB3 ASP A 101 -2.371 7.986 0.150 1.00 25.43 H new ATOM 1654 N PHE A 102 -0.726 10.350 -1.920 1.00 3.03 N ATOM 1655 CA PHE A 102 -1.015 11.785 -2.120 1.00 12.15 C ATOM 1656 C PHE A 102 -2.359 11.950 -2.883 1.00 42.41 C ATOM 1657 O PHE A 102 -2.539 11.444 -4.004 1.00 4.42 O ATOM 1658 CB PHE A 102 0.173 12.489 -2.858 1.00 25.41 C ATOM 1659 CG PHE A 102 0.353 12.093 -4.329 1.00 32.12 C ATOM 1660 CD1 PHE A 102 0.709 10.792 -4.686 1.00 20.50 C ATOM 1661 CD2 PHE A 102 0.127 13.017 -5.355 1.00 23.11 C ATOM 1662 CE1 PHE A 102 0.828 10.432 -6.012 1.00 51.30 C ATOM 1663 CE2 PHE A 102 0.254 12.654 -6.679 1.00 4.32 C ATOM 1664 CZ PHE A 102 0.600 11.364 -7.004 1.00 12.33 C ATOM 0 H PHE A 102 -0.816 9.790 -2.768 1.00 3.03 H new ATOM 0 HA PHE A 102 -1.120 12.272 -1.151 1.00 12.15 H new ATOM 0 HB2 PHE A 102 0.026 13.568 -2.804 1.00 25.41 H new ATOM 0 HB3 PHE A 102 1.096 12.266 -2.323 1.00 25.41 H new ATOM 0 HD1 PHE A 102 0.893 10.058 -3.915 1.00 20.50 H new ATOM 0 HD2 PHE A 102 -0.151 14.030 -5.106 1.00 23.11 H new ATOM 0 HE1 PHE A 102 1.100 9.420 -6.274 1.00 51.30 H new ATOM 0 HE2 PHE A 102 0.082 13.381 -7.459 1.00 4.32 H new ATOM 0 HZ PHE A 102 0.694 11.078 -8.041 1.00 12.33 H new ATOM 1674 N SER A 103 -3.306 12.647 -2.252 1.00 64.44 N ATOM 1675 CA SER A 103 -4.611 12.982 -2.858 1.00 13.15 C ATOM 1676 C SER A 103 -5.065 14.373 -2.408 1.00 0.34 C ATOM 1677 O SER A 103 -4.966 14.725 -1.232 1.00 20.23 O ATOM 1678 CB SER A 103 -5.699 11.925 -2.540 1.00 3.34 C ATOM 1679 OG SER A 103 -5.460 10.721 -3.250 1.00 55.20 O ATOM 0 H SER A 103 -3.196 13.000 -1.301 1.00 64.44 H new ATOM 0 HA SER A 103 -4.474 12.982 -3.939 1.00 13.15 H new ATOM 0 HB2 SER A 103 -5.713 11.723 -1.469 1.00 3.34 H new ATOM 0 HB3 SER A 103 -6.681 12.318 -2.803 1.00 3.34 H new ATOM 0 HG SER A 103 -4.867 10.144 -2.725 1.00 55.20 H new ATOM 1685 N GLU A 104 -5.539 15.161 -3.380 1.00 64.44 N ATOM 1686 CA GLU A 104 -6.134 16.490 -3.154 1.00 20.43 C ATOM 1687 C GLU A 104 -7.427 16.372 -2.329 1.00 11.40 C ATOM 1688 O GLU A 104 -8.099 15.365 -2.422 1.00 41.01 O ATOM 1689 CB GLU A 104 -6.402 17.207 -4.517 1.00 2.31 C ATOM 1690 CG GLU A 104 -7.421 16.538 -5.480 1.00 1.12 C ATOM 1691 CD GLU A 104 -6.911 15.287 -6.228 1.00 32.44 C ATOM 1692 OE1 GLU A 104 -6.929 14.171 -5.660 1.00 45.03 O ATOM 1693 OE2 GLU A 104 -6.473 15.421 -7.392 1.00 34.34 O ATOM 0 H GLU A 104 -5.521 14.891 -4.364 1.00 64.44 H new ATOM 0 HA GLU A 104 -5.427 17.094 -2.586 1.00 20.43 H new ATOM 0 HB2 GLU A 104 -6.750 18.218 -4.305 1.00 2.31 H new ATOM 0 HB3 GLU A 104 -5.452 17.301 -5.042 1.00 2.31 H new ATOM 0 HG2 GLU A 104 -8.306 16.261 -4.908 1.00 1.12 H new ATOM 0 HG3 GLU A 104 -7.736 17.277 -6.217 1.00 1.12 H new ATOM 1700 N ALA A 105 -7.749 17.415 -1.529 1.00 3.13 N ATOM 1701 CA ALA A 105 -8.908 17.432 -0.570 1.00 30.14 C ATOM 1702 C ALA A 105 -10.251 16.917 -1.169 1.00 21.04 C ATOM 1703 O ALA A 105 -11.073 16.325 -0.457 1.00 62.54 O ATOM 1704 CB ALA A 105 -9.087 18.855 -0.007 1.00 34.54 C ATOM 0 H ALA A 105 -7.214 18.283 -1.522 1.00 3.13 H new ATOM 0 HA ALA A 105 -8.657 16.729 0.224 1.00 30.14 H new ATOM 0 HB1 ALA A 105 -9.927 18.868 0.688 1.00 34.54 H new ATOM 0 HB2 ALA A 105 -8.179 19.157 0.515 1.00 34.54 H new ATOM 0 HB3 ALA A 105 -9.282 19.548 -0.825 1.00 34.54 H new ATOM 1710 N ASP A 106 -10.426 17.123 -2.479 1.00 62.42 N ATOM 1711 CA ASP A 106 -11.638 16.733 -3.237 1.00 31.34 C ATOM 1712 C ASP A 106 -11.849 15.190 -3.270 1.00 5.14 C ATOM 1713 O ASP A 106 -12.983 14.711 -3.324 1.00 4.33 O ATOM 1714 CB ASP A 106 -11.522 17.295 -4.675 1.00 14.50 C ATOM 1715 CG ASP A 106 -11.232 18.808 -4.684 1.00 74.34 C ATOM 1716 OD1 ASP A 106 -10.044 19.192 -4.585 1.00 61.21 O ATOM 1717 OD2 ASP A 106 -12.180 19.614 -4.747 1.00 62.11 O ATOM 0 H ASP A 106 -9.720 17.574 -3.061 1.00 62.42 H new ATOM 0 HA ASP A 106 -12.509 17.152 -2.733 1.00 31.34 H new ATOM 0 HB2 ASP A 106 -10.727 16.771 -5.206 1.00 14.50 H new ATOM 0 HB3 ASP A 106 -12.448 17.101 -5.216 1.00 14.50 H new ATOM 1722 N GLU A 107 -10.737 14.431 -3.232 1.00 61.11 N ATOM 1723 CA GLU A 107 -10.739 12.940 -3.186 1.00 24.40 C ATOM 1724 C GLU A 107 -10.259 12.428 -1.811 1.00 65.33 C ATOM 1725 O GLU A 107 -10.688 11.371 -1.348 1.00 22.23 O ATOM 1726 CB GLU A 107 -9.812 12.375 -4.302 1.00 44.01 C ATOM 1727 CG GLU A 107 -10.301 12.645 -5.741 1.00 70.13 C ATOM 1728 CD GLU A 107 -11.621 11.915 -6.081 1.00 10.44 C ATOM 1729 OE1 GLU A 107 -11.599 10.666 -6.212 1.00 14.35 O ATOM 1730 OE2 GLU A 107 -12.674 12.574 -6.229 1.00 2.05 O ATOM 0 H GLU A 107 -9.799 14.831 -3.232 1.00 61.11 H new ATOM 0 HA GLU A 107 -11.761 12.597 -3.347 1.00 24.40 H new ATOM 0 HB2 GLU A 107 -8.818 12.806 -4.183 1.00 44.01 H new ATOM 0 HB3 GLU A 107 -9.712 11.299 -4.162 1.00 44.01 H new ATOM 0 HG2 GLU A 107 -10.441 13.718 -5.875 1.00 70.13 H new ATOM 0 HG3 GLU A 107 -9.529 12.334 -6.445 1.00 70.13 H new ATOM 1737 N ALA A 108 -9.389 13.221 -1.156 1.00 52.23 N ATOM 1738 CA ALA A 108 -8.696 12.834 0.095 1.00 73.00 C ATOM 1739 C ALA A 108 -9.653 12.774 1.291 1.00 42.21 C ATOM 1740 O ALA A 108 -9.502 11.919 2.141 1.00 64.11 O ATOM 1741 CB ALA A 108 -7.539 13.790 0.410 1.00 73.32 C ATOM 0 H ALA A 108 -9.143 14.156 -1.480 1.00 52.23 H new ATOM 0 HA ALA A 108 -8.297 11.834 -0.072 1.00 73.00 H new ATOM 0 HB1 ALA A 108 -7.051 13.479 1.334 1.00 73.32 H new ATOM 0 HB2 ALA A 108 -6.817 13.769 -0.407 1.00 73.32 H new ATOM 0 HB3 ALA A 108 -7.925 14.803 0.527 1.00 73.32 H new ATOM 1747 N ASP A 109 -10.629 13.704 1.356 1.00 1.02 N ATOM 1748 CA ASP A 109 -11.651 13.707 2.430 1.00 14.40 C ATOM 1749 C ASP A 109 -12.519 12.419 2.378 1.00 22.30 C ATOM 1750 O ASP A 109 -12.903 11.889 3.417 1.00 42.35 O ATOM 1751 CB ASP A 109 -12.532 14.977 2.331 1.00 2.21 C ATOM 1752 CG ASP A 109 -13.584 15.066 3.453 1.00 23.51 C ATOM 1753 OD1 ASP A 109 -13.222 15.449 4.587 1.00 71.10 O ATOM 1754 OD2 ASP A 109 -14.768 14.728 3.217 1.00 73.05 O ATOM 0 H ASP A 109 -10.733 14.461 0.681 1.00 1.02 H new ATOM 0 HA ASP A 109 -11.138 13.720 3.392 1.00 14.40 H new ATOM 0 HB2 ASP A 109 -11.894 15.860 2.368 1.00 2.21 H new ATOM 0 HB3 ASP A 109 -13.037 14.989 1.365 1.00 2.21 H new ATOM 1759 N ASP A 110 -12.796 11.925 1.157 1.00 12.11 N ATOM 1760 CA ASP A 110 -13.553 10.668 0.946 1.00 1.12 C ATOM 1761 C ASP A 110 -12.687 9.437 1.325 1.00 31.41 C ATOM 1762 O ASP A 110 -13.187 8.498 1.941 1.00 25.14 O ATOM 1763 CB ASP A 110 -14.037 10.574 -0.529 1.00 43.24 C ATOM 1764 CG ASP A 110 -14.994 9.389 -0.765 1.00 62.53 C ATOM 1765 OD1 ASP A 110 -16.203 9.523 -0.462 1.00 42.32 O ATOM 1766 OD2 ASP A 110 -14.545 8.313 -1.226 1.00 51.41 O ATOM 0 H ASP A 110 -12.505 12.379 0.291 1.00 12.11 H new ATOM 0 HA ASP A 110 -14.428 10.675 1.595 1.00 1.12 H new ATOM 0 HB2 ASP A 110 -14.539 11.502 -0.802 1.00 43.24 H new ATOM 0 HB3 ASP A 110 -13.173 10.474 -1.185 1.00 43.24 H new ATOM 1771 N LEU A 111 -11.390 9.472 0.952 1.00 32.33 N ATOM 1772 CA LEU A 111 -10.406 8.416 1.305 1.00 44.30 C ATOM 1773 C LEU A 111 -10.222 8.282 2.836 1.00 13.13 C ATOM 1774 O LEU A 111 -10.270 7.176 3.382 1.00 35.30 O ATOM 1775 CB LEU A 111 -9.032 8.713 0.635 1.00 33.32 C ATOM 1776 CG LEU A 111 -8.954 8.505 -0.912 1.00 21.13 C ATOM 1777 CD1 LEU A 111 -7.539 8.829 -1.444 1.00 62.51 C ATOM 1778 CD2 LEU A 111 -9.386 7.073 -1.302 1.00 2.44 C ATOM 0 H LEU A 111 -10.992 10.230 0.398 1.00 32.33 H new ATOM 0 HA LEU A 111 -10.799 7.470 0.932 1.00 44.30 H new ATOM 0 HB2 LEU A 111 -8.761 9.746 0.855 1.00 33.32 H new ATOM 0 HB3 LEU A 111 -8.279 8.079 1.103 1.00 33.32 H new ATOM 0 HG LEU A 111 -9.651 9.200 -1.380 1.00 21.13 H new ATOM 0 HD11 LEU A 111 -7.512 8.676 -2.523 1.00 62.51 H new ATOM 0 HD12 LEU A 111 -7.294 9.867 -1.218 1.00 62.51 H new ATOM 0 HD13 LEU A 111 -6.812 8.173 -0.966 1.00 62.51 H new ATOM 0 HD21 LEU A 111 -9.322 6.956 -2.384 1.00 2.44 H new ATOM 0 HD22 LEU A 111 -8.728 6.350 -0.819 1.00 2.44 H new ATOM 0 HD23 LEU A 111 -10.413 6.902 -0.978 1.00 2.44 H new ATOM 1790 N LYS A 112 -10.020 9.427 3.505 1.00 73.32 N ATOM 1791 CA LYS A 112 -9.855 9.497 4.973 1.00 31.02 C ATOM 1792 C LYS A 112 -11.128 9.017 5.686 1.00 43.31 C ATOM 1793 O LYS A 112 -11.062 8.181 6.565 1.00 70.31 O ATOM 1794 CB LYS A 112 -9.524 10.943 5.427 1.00 74.22 C ATOM 1795 CG LYS A 112 -8.171 11.492 4.928 1.00 41.24 C ATOM 1796 CD LYS A 112 -7.949 12.960 5.362 1.00 1.43 C ATOM 1797 CE LYS A 112 -6.605 13.526 4.886 1.00 42.40 C ATOM 1798 NZ LYS A 112 -6.392 14.924 5.332 1.00 5.35 N ATOM 0 H LYS A 112 -9.966 10.336 3.046 1.00 73.32 H new ATOM 0 HA LYS A 112 -9.025 8.844 5.242 1.00 31.02 H new ATOM 0 HB2 LYS A 112 -10.317 11.606 5.082 1.00 74.22 H new ATOM 0 HB3 LYS A 112 -9.532 10.976 6.516 1.00 74.22 H new ATOM 0 HG2 LYS A 112 -7.362 10.872 5.316 1.00 41.24 H new ATOM 0 HG3 LYS A 112 -8.131 11.425 3.841 1.00 41.24 H new ATOM 0 HD2 LYS A 112 -8.757 13.576 4.968 1.00 1.43 H new ATOM 0 HD3 LYS A 112 -8.000 13.024 6.449 1.00 1.43 H new ATOM 0 HE2 LYS A 112 -5.796 12.900 5.263 1.00 42.40 H new ATOM 0 HE3 LYS A 112 -6.561 13.484 3.798 1.00 42.40 H new ATOM 0 HZ1 LYS A 112 -6.379 15.554 4.505 1.00 5.35 H new ATOM 0 HZ2 LYS A 112 -7.163 15.206 5.970 1.00 5.35 H new ATOM 0 HZ3 LYS A 112 -5.484 14.994 5.835 1.00 5.35 H new ATOM 1812 N GLU A 113 -12.288 9.539 5.252 1.00 53.13 N ATOM 1813 CA GLU A 113 -13.602 9.197 5.842 1.00 75.32 C ATOM 1814 C GLU A 113 -13.913 7.687 5.676 1.00 52.03 C ATOM 1815 O GLU A 113 -14.487 7.062 6.570 1.00 21.14 O ATOM 1816 CB GLU A 113 -14.711 10.061 5.188 1.00 60.31 C ATOM 1817 CG GLU A 113 -16.091 9.957 5.855 1.00 22.44 C ATOM 1818 CD GLU A 113 -17.179 10.760 5.126 1.00 45.01 C ATOM 1819 OE1 GLU A 113 -17.298 11.982 5.365 1.00 64.34 O ATOM 1820 OE2 GLU A 113 -17.910 10.175 4.294 1.00 64.32 O ATOM 0 H GLU A 113 -12.346 10.208 4.485 1.00 53.13 H new ATOM 0 HA GLU A 113 -13.569 9.411 6.910 1.00 75.32 H new ATOM 0 HB2 GLU A 113 -14.394 11.104 5.203 1.00 60.31 H new ATOM 0 HB3 GLU A 113 -14.807 9.772 4.142 1.00 60.31 H new ATOM 0 HG2 GLU A 113 -16.389 8.909 5.897 1.00 22.44 H new ATOM 0 HG3 GLU A 113 -16.017 10.309 6.884 1.00 22.44 H new ATOM 1827 N LEU A 114 -13.498 7.119 4.526 1.00 64.20 N ATOM 1828 CA LEU A 114 -13.641 5.677 4.232 1.00 51.14 C ATOM 1829 C LEU A 114 -12.799 4.827 5.212 1.00 10.03 C ATOM 1830 O LEU A 114 -13.333 3.977 5.919 1.00 44.51 O ATOM 1831 CB LEU A 114 -13.199 5.385 2.767 1.00 73.23 C ATOM 1832 CG LEU A 114 -13.329 3.904 2.276 1.00 51.43 C ATOM 1833 CD1 LEU A 114 -14.803 3.433 2.279 1.00 23.41 C ATOM 1834 CD2 LEU A 114 -12.674 3.716 0.883 1.00 72.21 C ATOM 0 H LEU A 114 -13.054 7.646 3.774 1.00 64.20 H new ATOM 0 HA LEU A 114 -14.690 5.407 4.354 1.00 51.14 H new ATOM 0 HB2 LEU A 114 -13.787 6.017 2.102 1.00 73.23 H new ATOM 0 HB3 LEU A 114 -12.158 5.690 2.658 1.00 73.23 H new ATOM 0 HG LEU A 114 -12.788 3.274 2.982 1.00 51.43 H new ATOM 0 HD11 LEU A 114 -14.856 2.401 1.933 1.00 23.41 H new ATOM 0 HD12 LEU A 114 -15.203 3.497 3.291 1.00 23.41 H new ATOM 0 HD13 LEU A 114 -15.389 4.069 1.616 1.00 23.41 H new ATOM 0 HD21 LEU A 114 -12.780 2.678 0.568 1.00 72.21 H new ATOM 0 HD22 LEU A 114 -13.165 4.367 0.159 1.00 72.21 H new ATOM 0 HD23 LEU A 114 -11.616 3.971 0.941 1.00 72.21 H new ATOM 1846 N TRP A 115 -11.488 5.116 5.277 1.00 0.01 N ATOM 1847 CA TRP A 115 -10.514 4.308 6.047 1.00 33.12 C ATOM 1848 C TRP A 115 -10.610 4.522 7.578 1.00 20.30 C ATOM 1849 O TRP A 115 -10.208 3.646 8.343 1.00 75.43 O ATOM 1850 CB TRP A 115 -9.089 4.573 5.513 1.00 40.54 C ATOM 1851 CG TRP A 115 -8.846 3.984 4.129 1.00 62.34 C ATOM 1852 CD1 TRP A 115 -9.259 2.753 3.674 1.00 2.04 C ATOM 1853 CD2 TRP A 115 -8.103 4.567 3.045 1.00 71.03 C ATOM 1854 NE1 TRP A 115 -8.833 2.556 2.387 1.00 72.13 N ATOM 1855 CE2 TRP A 115 -8.120 3.649 1.979 1.00 31.33 C ATOM 1856 CE3 TRP A 115 -7.433 5.774 2.874 1.00 62.14 C ATOM 1857 CZ2 TRP A 115 -7.484 3.903 0.764 1.00 70.43 C ATOM 1858 CZ3 TRP A 115 -6.801 6.026 1.670 1.00 62.42 C ATOM 1859 CH2 TRP A 115 -6.831 5.095 0.628 1.00 52.55 C ATOM 0 H TRP A 115 -11.070 5.914 4.799 1.00 0.01 H new ATOM 0 HA TRP A 115 -10.763 3.258 5.896 1.00 33.12 H new ATOM 0 HB2 TRP A 115 -8.915 5.649 5.478 1.00 40.54 H new ATOM 0 HB3 TRP A 115 -8.363 4.155 6.211 1.00 40.54 H new ATOM 0 HD1 TRP A 115 -9.836 2.044 4.249 1.00 2.04 H new ATOM 0 HE1 TRP A 115 -9.018 1.726 1.823 1.00 72.13 H new ATOM 0 HE3 TRP A 115 -7.407 6.504 3.670 1.00 62.14 H new ATOM 0 HZ2 TRP A 115 -7.507 3.183 -0.041 1.00 70.43 H new ATOM 0 HZ3 TRP A 115 -6.275 6.959 1.532 1.00 62.42 H new ATOM 0 HH2 TRP A 115 -6.329 5.322 -0.301 1.00 52.55 H new ATOM 1870 N ASP A 116 -11.128 5.679 8.009 1.00 1.10 N ATOM 1871 CA ASP A 116 -11.495 5.932 9.423 1.00 0.42 C ATOM 1872 C ASP A 116 -12.755 5.123 9.820 1.00 20.50 C ATOM 1873 O ASP A 116 -12.851 4.621 10.949 1.00 31.44 O ATOM 1874 CB ASP A 116 -11.692 7.455 9.670 1.00 64.51 C ATOM 1875 CG ASP A 116 -10.361 8.237 9.759 1.00 24.43 C ATOM 1876 OD1 ASP A 116 -9.457 8.008 8.927 1.00 34.34 O ATOM 1877 OD2 ASP A 116 -10.199 9.063 10.683 1.00 11.42 O ATOM 0 H ASP A 116 -11.308 6.472 7.393 1.00 1.10 H new ATOM 0 HA ASP A 116 -10.677 5.594 10.059 1.00 0.42 H new ATOM 0 HB2 ASP A 116 -12.297 7.871 8.865 1.00 64.51 H new ATOM 0 HB3 ASP A 116 -12.251 7.597 10.595 1.00 64.51 H new ATOM 1882 N SER A 117 -13.711 4.988 8.879 1.00 54.33 N ATOM 1883 CA SER A 117 -14.885 4.094 9.052 1.00 11.22 C ATOM 1884 C SER A 117 -14.446 2.605 9.063 1.00 23.44 C ATOM 1885 O SER A 117 -15.043 1.787 9.762 1.00 14.11 O ATOM 1886 CB SER A 117 -15.940 4.328 7.935 1.00 1.35 C ATOM 1887 OG SER A 117 -16.442 5.658 7.953 1.00 3.50 O ATOM 0 H SER A 117 -13.697 5.485 7.989 1.00 54.33 H new ATOM 0 HA SER A 117 -15.342 4.334 10.012 1.00 11.22 H new ATOM 0 HB2 SER A 117 -15.492 4.122 6.963 1.00 1.35 H new ATOM 0 HB3 SER A 117 -16.765 3.627 8.061 1.00 1.35 H new ATOM 0 HG SER A 117 -15.817 6.250 7.484 1.00 3.50 H new ATOM 1893 N GLN A 118 -13.392 2.271 8.281 1.00 73.31 N ATOM 1894 CA GLN A 118 -12.857 0.887 8.178 1.00 64.42 C ATOM 1895 C GLN A 118 -12.056 0.469 9.429 1.00 25.25 C ATOM 1896 O GLN A 118 -12.212 -0.651 9.906 1.00 41.44 O ATOM 1897 CB GLN A 118 -11.976 0.717 6.907 1.00 51.11 C ATOM 1898 CG GLN A 118 -12.723 0.872 5.565 1.00 52.33 C ATOM 1899 CD GLN A 118 -13.958 -0.025 5.458 1.00 63.12 C ATOM 1900 OE1 GLN A 118 -15.072 0.379 5.792 1.00 21.23 O ATOM 1901 NE2 GLN A 118 -13.766 -1.257 5.034 1.00 53.22 N ATOM 0 H GLN A 118 -12.889 2.947 7.706 1.00 73.31 H new ATOM 0 HA GLN A 118 -13.723 0.230 8.103 1.00 64.42 H new ATOM 0 HB2 GLN A 118 -11.170 1.450 6.943 1.00 51.11 H new ATOM 0 HB3 GLN A 118 -11.512 -0.269 6.935 1.00 51.11 H new ATOM 0 HG2 GLN A 118 -13.025 1.912 5.442 1.00 52.33 H new ATOM 0 HG3 GLN A 118 -12.041 0.640 4.747 1.00 52.33 H new ATOM 0 HE21 GLN A 118 -12.831 -1.564 4.764 1.00 53.22 H new ATOM 0 HE22 GLN A 118 -14.552 -1.905 4.976 1.00 53.22 H new ATOM 1910 N VAL A 119 -11.202 1.371 9.955 1.00 74.22 N ATOM 1911 CA VAL A 119 -10.357 1.061 11.138 1.00 30.02 C ATOM 1912 C VAL A 119 -11.227 0.955 12.422 1.00 52.01 C ATOM 1913 O VAL A 119 -10.916 0.175 13.328 1.00 32.14 O ATOM 1914 CB VAL A 119 -9.174 2.096 11.318 1.00 63.34 C ATOM 1915 CG1 VAL A 119 -9.683 3.514 11.674 1.00 63.21 C ATOM 1916 CG2 VAL A 119 -8.127 1.593 12.350 1.00 31.12 C ATOM 0 H VAL A 119 -11.076 2.314 9.586 1.00 74.22 H new ATOM 0 HA VAL A 119 -9.893 0.091 10.962 1.00 30.02 H new ATOM 0 HB VAL A 119 -8.675 2.173 10.352 1.00 63.34 H new ATOM 0 HG11 VAL A 119 -8.834 4.188 11.787 1.00 63.21 H new ATOM 0 HG12 VAL A 119 -10.332 3.878 10.877 1.00 63.21 H new ATOM 0 HG13 VAL A 119 -10.243 3.476 12.609 1.00 63.21 H new ATOM 0 HG21 VAL A 119 -7.329 2.329 12.448 1.00 31.12 H new ATOM 0 HG22 VAL A 119 -8.609 1.450 13.317 1.00 31.12 H new ATOM 0 HG23 VAL A 119 -7.707 0.646 12.010 1.00 31.12 H new ATOM 1926 N SER A 120 -12.332 1.736 12.460 1.00 74.22 N ATOM 1927 CA SER A 120 -13.388 1.613 13.498 1.00 22.14 C ATOM 1928 C SER A 120 -14.020 0.196 13.498 1.00 51.12 C ATOM 1929 O SER A 120 -14.306 -0.370 14.564 1.00 72.02 O ATOM 1930 CB SER A 120 -14.483 2.680 13.272 1.00 73.11 C ATOM 1931 OG SER A 120 -15.495 2.617 14.268 1.00 42.14 O ATOM 0 H SER A 120 -12.518 2.468 11.775 1.00 74.22 H new ATOM 0 HA SER A 120 -12.922 1.774 14.470 1.00 22.14 H new ATOM 0 HB2 SER A 120 -14.031 3.672 13.276 1.00 73.11 H new ATOM 0 HB3 SER A 120 -14.931 2.538 12.289 1.00 73.11 H new ATOM 0 HG SER A 120 -16.169 3.307 14.094 1.00 42.14 H new ATOM 1937 N LYS A 121 -14.219 -0.375 12.285 1.00 65.21 N ATOM 1938 CA LYS A 121 -14.713 -1.762 12.124 1.00 31.42 C ATOM 1939 C LYS A 121 -13.645 -2.783 12.581 1.00 64.15 C ATOM 1940 O LYS A 121 -13.937 -3.640 13.396 1.00 21.23 O ATOM 1941 CB LYS A 121 -15.119 -2.053 10.654 1.00 34.43 C ATOM 1942 CG LYS A 121 -16.252 -1.167 10.102 1.00 71.44 C ATOM 1943 CD LYS A 121 -16.632 -1.548 8.654 1.00 42.34 C ATOM 1944 CE LYS A 121 -17.668 -0.601 8.026 1.00 73.33 C ATOM 1945 NZ LYS A 121 -17.138 0.780 7.873 1.00 31.52 N ATOM 0 H LYS A 121 -14.044 0.106 11.403 1.00 65.21 H new ATOM 0 HA LYS A 121 -15.597 -1.865 12.753 1.00 31.42 H new ATOM 0 HB2 LYS A 121 -14.241 -1.931 10.020 1.00 34.43 H new ATOM 0 HB3 LYS A 121 -15.424 -3.097 10.577 1.00 34.43 H new ATOM 0 HG2 LYS A 121 -17.129 -1.259 10.743 1.00 71.44 H new ATOM 0 HG3 LYS A 121 -15.943 -0.122 10.133 1.00 71.44 H new ATOM 0 HD2 LYS A 121 -15.732 -1.550 8.039 1.00 42.34 H new ATOM 0 HD3 LYS A 121 -17.027 -2.564 8.645 1.00 42.34 H new ATOM 0 HE2 LYS A 121 -17.966 -0.985 7.051 1.00 73.33 H new ATOM 0 HE3 LYS A 121 -18.563 -0.579 8.647 1.00 73.33 H new ATOM 0 HZ1 LYS A 121 -17.902 1.412 7.558 1.00 31.52 H new ATOM 0 HZ2 LYS A 121 -16.767 1.113 8.786 1.00 31.52 H new ATOM 0 HZ3 LYS A 121 -16.374 0.782 7.168 1.00 31.52 H new ATOM 1959 N LEU A 122 -12.399 -2.641 12.079 1.00 44.00 N ATOM 1960 CA LEU A 122 -11.276 -3.575 12.385 1.00 62.25 C ATOM 1961 C LEU A 122 -10.984 -3.664 13.905 1.00 52.12 C ATOM 1962 O LEU A 122 -10.624 -4.726 14.413 1.00 2.44 O ATOM 1963 CB LEU A 122 -9.988 -3.138 11.633 1.00 74.45 C ATOM 1964 CG LEU A 122 -10.066 -3.119 10.074 1.00 23.32 C ATOM 1965 CD1 LEU A 122 -8.742 -2.601 9.462 1.00 3.12 C ATOM 1966 CD2 LEU A 122 -10.446 -4.513 9.516 1.00 3.30 C ATOM 0 H LEU A 122 -12.137 -1.881 11.452 1.00 44.00 H new ATOM 0 HA LEU A 122 -11.584 -4.564 12.046 1.00 62.25 H new ATOM 0 HB2 LEU A 122 -9.716 -2.139 11.973 1.00 74.45 H new ATOM 0 HB3 LEU A 122 -9.178 -3.806 11.926 1.00 74.45 H new ATOM 0 HG LEU A 122 -10.857 -2.427 9.783 1.00 23.32 H new ATOM 0 HD11 LEU A 122 -8.821 -2.597 8.375 1.00 3.12 H new ATOM 0 HD12 LEU A 122 -8.549 -1.588 9.816 1.00 3.12 H new ATOM 0 HD13 LEU A 122 -7.922 -3.253 9.764 1.00 3.12 H new ATOM 0 HD21 LEU A 122 -10.493 -4.469 8.428 1.00 3.30 H new ATOM 0 HD22 LEU A 122 -9.695 -5.243 9.818 1.00 3.30 H new ATOM 0 HD23 LEU A 122 -11.418 -4.810 9.909 1.00 3.30 H new ATOM 1978 N ARG A 123 -11.142 -2.522 14.605 1.00 25.01 N ATOM 1979 CA ARG A 123 -10.928 -2.409 16.066 1.00 31.44 C ATOM 1980 C ARG A 123 -11.912 -3.310 16.860 1.00 43.21 C ATOM 1981 O ARG A 123 -11.505 -4.030 17.779 1.00 41.00 O ATOM 1982 CB ARG A 123 -11.057 -0.903 16.476 1.00 33.10 C ATOM 1983 CG ARG A 123 -10.445 -0.504 17.861 1.00 44.10 C ATOM 1984 CD ARG A 123 -11.486 -0.303 18.993 1.00 23.21 C ATOM 1985 NE ARG A 123 -12.113 -1.562 19.446 1.00 64.22 N ATOM 1986 CZ ARG A 123 -13.359 -1.689 19.866 1.00 63.14 C ATOM 1987 NH1 ARG A 123 -14.215 -0.727 19.751 1.00 45.21 N ATOM 1988 NH2 ARG A 123 -13.757 -2.813 20.354 1.00 14.25 N ATOM 0 H ARG A 123 -11.424 -1.644 14.170 1.00 25.01 H new ATOM 0 HA ARG A 123 -9.928 -2.764 16.314 1.00 31.44 H new ATOM 0 HB2 ARG A 123 -10.581 -0.297 15.705 1.00 33.10 H new ATOM 0 HB3 ARG A 123 -12.115 -0.640 16.481 1.00 33.10 H new ATOM 0 HG2 ARG A 123 -9.739 -1.276 18.167 1.00 44.10 H new ATOM 0 HG3 ARG A 123 -9.876 0.418 17.740 1.00 44.10 H new ATOM 0 HD2 ARG A 123 -11.000 0.178 19.842 1.00 23.21 H new ATOM 0 HD3 ARG A 123 -12.264 0.376 18.644 1.00 23.21 H new ATOM 0 HE ARG A 123 -11.536 -2.403 19.433 1.00 64.22 H new ATOM 0 HH11 ARG A 123 -13.934 0.157 19.327 1.00 45.21 H new ATOM 0 HH12 ARG A 123 -15.171 -0.852 20.084 1.00 45.21 H new ATOM 0 HH21 ARG A 123 -13.111 -3.600 20.415 1.00 14.25 H new ATOM 0 HH22 ARG A 123 -14.718 -2.916 20.680 1.00 14.25 H new ATOM 2002 N ARG A 124 -13.208 -3.257 16.493 1.00 63.20 N ATOM 2003 CA ARG A 124 -14.266 -4.079 17.151 1.00 12.44 C ATOM 2004 C ARG A 124 -14.289 -5.534 16.602 1.00 60.45 C ATOM 2005 O ARG A 124 -14.712 -6.461 17.294 1.00 1.34 O ATOM 2006 CB ARG A 124 -15.650 -3.392 16.991 1.00 21.40 C ATOM 2007 CG ARG A 124 -16.195 -3.342 15.548 1.00 60.15 C ATOM 2008 CD ARG A 124 -17.499 -2.544 15.432 1.00 13.04 C ATOM 2009 NE ARG A 124 -18.011 -2.533 14.047 1.00 61.32 N ATOM 2010 CZ ARG A 124 -18.380 -1.474 13.371 1.00 11.34 C ATOM 2011 NH1 ARG A 124 -18.247 -0.281 13.857 1.00 30.35 N ATOM 2012 NH2 ARG A 124 -18.845 -1.623 12.187 1.00 44.12 N ATOM 0 H ARG A 124 -13.556 -2.656 15.746 1.00 63.20 H new ATOM 0 HA ARG A 124 -14.033 -4.147 18.214 1.00 12.44 H new ATOM 0 HB2 ARG A 124 -16.372 -3.915 17.617 1.00 21.40 H new ATOM 0 HB3 ARG A 124 -15.578 -2.373 17.371 1.00 21.40 H new ATOM 0 HG2 ARG A 124 -15.443 -2.897 14.896 1.00 60.15 H new ATOM 0 HG3 ARG A 124 -16.364 -4.359 15.193 1.00 60.15 H new ATOM 0 HD2 ARG A 124 -18.250 -2.975 16.094 1.00 13.04 H new ATOM 0 HD3 ARG A 124 -17.330 -1.520 15.766 1.00 13.04 H new ATOM 0 HE ARG A 124 -18.084 -3.433 13.573 1.00 61.32 H new ATOM 0 HH11 ARG A 124 -17.847 -0.151 14.786 1.00 30.35 H new ATOM 0 HH12 ARG A 124 -18.542 0.528 13.311 1.00 30.35 H new ATOM 0 HH21 ARG A 124 -18.924 -2.557 11.784 1.00 44.12 H new ATOM 0 HH22 ARG A 124 -19.137 -0.808 11.647 1.00 44.12 H new ATOM 2026 N THR A 125 -13.815 -5.707 15.353 1.00 31.33 N ATOM 2027 CA THR A 125 -13.711 -7.023 14.666 1.00 1.04 C ATOM 2028 C THR A 125 -12.534 -7.849 15.243 1.00 14.41 C ATOM 2029 O THR A 125 -12.610 -9.084 15.337 1.00 45.24 O ATOM 2030 CB THR A 125 -13.530 -6.801 13.113 1.00 2.51 C ATOM 2031 OG1 THR A 125 -14.724 -6.210 12.572 1.00 20.34 O ATOM 2032 CG2 THR A 125 -13.203 -8.070 12.309 1.00 1.34 C ATOM 0 H THR A 125 -13.487 -4.930 14.779 1.00 31.33 H new ATOM 0 HA THR A 125 -14.630 -7.585 14.837 1.00 1.04 H new ATOM 0 HB THR A 125 -12.665 -6.145 13.014 1.00 2.51 H new ATOM 0 HG1 THR A 125 -14.705 -5.241 12.719 1.00 20.34 H new ATOM 0 HG21 THR A 125 -13.098 -7.815 11.254 1.00 1.34 H new ATOM 0 HG22 THR A 125 -12.271 -8.501 12.673 1.00 1.34 H new ATOM 0 HG23 THR A 125 -14.009 -8.794 12.429 1.00 1.34 H new ATOM 2040 N CYS A 126 -11.461 -7.122 15.650 1.00 42.53 N ATOM 2041 CA CYS A 126 -10.174 -7.695 16.122 1.00 45.34 C ATOM 2042 C CYS A 126 -9.490 -8.562 15.028 1.00 41.20 C ATOM 2043 O CYS A 126 -8.659 -9.434 15.322 1.00 53.15 O ATOM 2044 CB CYS A 126 -10.365 -8.485 17.442 1.00 71.34 C ATOM 2045 SG CYS A 126 -8.822 -9.054 18.191 1.00 2.32 S ATOM 0 H CYS A 126 -11.467 -6.102 15.659 1.00 42.53 H new ATOM 0 HA CYS A 126 -9.503 -6.862 16.330 1.00 45.34 H new ATOM 0 HB2 CYS A 126 -10.893 -7.854 18.157 1.00 71.34 H new ATOM 0 HB3 CYS A 126 -11.002 -9.348 17.248 1.00 71.34 H new ATOM 0 HG CYS A 126 -8.050 -9.551 17.270 1.00 2.32 H new ATOM 2051 N GLY A 127 -9.796 -8.252 13.755 1.00 31.23 N ATOM 2052 CA GLY A 127 -9.314 -9.041 12.617 1.00 33.33 C ATOM 2053 C GLY A 127 -9.382 -8.294 11.287 1.00 52.13 C ATOM 2054 O GLY A 127 -9.665 -7.094 11.252 1.00 50.43 O ATOM 0 H GLY A 127 -10.378 -7.456 13.493 1.00 31.23 H new ATOM 0 HA2 GLY A 127 -8.283 -9.342 12.804 1.00 33.33 H new ATOM 0 HA3 GLY A 127 -9.904 -9.955 12.542 1.00 33.33 H new ATOM 2058 N PHE A 128 -9.115 -9.029 10.195 1.00 41.01 N ATOM 2059 CA PHE A 128 -9.102 -8.492 8.811 1.00 20.41 C ATOM 2060 C PHE A 128 -10.534 -8.348 8.224 1.00 4.13 C ATOM 2061 O PHE A 128 -11.435 -9.117 8.577 1.00 3.33 O ATOM 2062 CB PHE A 128 -8.227 -9.408 7.898 1.00 30.33 C ATOM 2063 CG PHE A 128 -8.733 -10.856 7.745 1.00 62.14 C ATOM 2064 CD1 PHE A 128 -8.520 -11.806 8.751 1.00 41.30 C ATOM 2065 CD2 PHE A 128 -9.428 -11.264 6.599 1.00 34.33 C ATOM 2066 CE1 PHE A 128 -8.983 -13.104 8.616 1.00 4.14 C ATOM 2067 CE2 PHE A 128 -9.886 -12.563 6.467 1.00 51.44 C ATOM 2068 CZ PHE A 128 -9.665 -13.480 7.476 1.00 61.44 C ATOM 0 H PHE A 128 -8.899 -10.025 10.242 1.00 41.01 H new ATOM 0 HA PHE A 128 -8.670 -7.492 8.846 1.00 20.41 H new ATOM 0 HB2 PHE A 128 -8.165 -8.955 6.908 1.00 30.33 H new ATOM 0 HB3 PHE A 128 -7.214 -9.434 8.300 1.00 30.33 H new ATOM 0 HD1 PHE A 128 -7.986 -11.522 9.646 1.00 41.30 H new ATOM 0 HD2 PHE A 128 -9.609 -10.553 5.806 1.00 34.33 H new ATOM 0 HE1 PHE A 128 -8.810 -13.823 9.403 1.00 4.14 H new ATOM 0 HE2 PHE A 128 -10.417 -12.860 5.574 1.00 51.44 H new ATOM 0 HZ PHE A 128 -10.026 -14.493 7.373 1.00 61.44 H new ATOM 2078 N LEU A 129 -10.713 -7.363 7.316 1.00 55.22 N ATOM 2079 CA LEU A 129 -11.986 -7.131 6.585 1.00 32.03 C ATOM 2080 C LEU A 129 -11.746 -6.155 5.396 1.00 31.02 C ATOM 2081 O LEU A 129 -11.767 -4.931 5.567 1.00 11.02 O ATOM 2082 CB LEU A 129 -13.091 -6.587 7.553 1.00 30.41 C ATOM 2083 CG LEU A 129 -14.531 -6.410 6.958 1.00 35.52 C ATOM 2084 CD1 LEU A 129 -15.078 -7.733 6.370 1.00 50.22 C ATOM 2085 CD2 LEU A 129 -15.499 -5.826 8.021 1.00 53.33 C ATOM 0 H LEU A 129 -9.977 -6.702 7.066 1.00 55.22 H new ATOM 0 HA LEU A 129 -12.340 -8.080 6.183 1.00 32.03 H new ATOM 0 HB2 LEU A 129 -13.157 -7.262 8.406 1.00 30.41 H new ATOM 0 HB3 LEU A 129 -12.761 -5.621 7.936 1.00 30.41 H new ATOM 0 HG LEU A 129 -14.460 -5.699 6.135 1.00 35.52 H new ATOM 0 HD11 LEU A 129 -16.078 -7.567 5.968 1.00 50.22 H new ATOM 0 HD12 LEU A 129 -14.419 -8.077 5.573 1.00 50.22 H new ATOM 0 HD13 LEU A 129 -15.123 -8.489 7.154 1.00 50.22 H new ATOM 0 HD21 LEU A 129 -16.492 -5.712 7.586 1.00 53.33 H new ATOM 0 HD22 LEU A 129 -15.553 -6.502 8.875 1.00 53.33 H new ATOM 0 HD23 LEU A 129 -15.134 -4.853 8.351 1.00 53.33 H new ATOM 2097 N GLU A 130 -11.487 -6.724 4.196 1.00 1.21 N ATOM 2098 CA GLU A 130 -11.180 -5.945 2.962 1.00 32.52 C ATOM 2099 C GLU A 130 -11.561 -6.798 1.712 1.00 22.44 C ATOM 2100 O GLU A 130 -11.227 -7.987 1.645 1.00 11.30 O ATOM 2101 CB GLU A 130 -9.657 -5.540 2.941 1.00 45.24 C ATOM 2102 CG GLU A 130 -9.315 -4.201 2.228 1.00 54.12 C ATOM 2103 CD GLU A 130 -9.652 -4.171 0.724 1.00 45.42 C ATOM 2104 OE1 GLU A 130 -8.895 -4.765 -0.077 1.00 32.32 O ATOM 2105 OE2 GLU A 130 -10.701 -3.584 0.336 1.00 1.15 O ATOM 0 H GLU A 130 -11.484 -7.734 4.050 1.00 1.21 H new ATOM 0 HA GLU A 130 -11.765 -5.025 2.947 1.00 32.52 H new ATOM 0 HB2 GLU A 130 -9.304 -5.481 3.970 1.00 45.24 H new ATOM 0 HB3 GLU A 130 -9.096 -6.339 2.457 1.00 45.24 H new ATOM 0 HG2 GLU A 130 -9.853 -3.393 2.724 1.00 54.12 H new ATOM 0 HG3 GLU A 130 -8.251 -3.999 2.353 1.00 54.12 H new ATOM 2112 N HIS A 131 -12.243 -6.175 0.719 1.00 33.13 N ATOM 2113 CA HIS A 131 -12.891 -6.901 -0.420 1.00 33.32 C ATOM 2114 C HIS A 131 -12.307 -6.525 -1.812 1.00 73.24 C ATOM 2115 O HIS A 131 -12.770 -7.060 -2.833 1.00 64.41 O ATOM 2116 CB HIS A 131 -14.422 -6.626 -0.397 1.00 23.24 C ATOM 2117 CG HIS A 131 -15.117 -7.107 0.856 1.00 64.21 C ATOM 2118 ND1 HIS A 131 -15.773 -8.313 0.926 1.00 21.34 N ATOM 2119 CD2 HIS A 131 -15.262 -6.539 2.080 1.00 12.44 C ATOM 2120 CE1 HIS A 131 -16.290 -8.467 2.127 1.00 33.51 C ATOM 2121 NE2 HIS A 131 -15.998 -7.410 2.851 1.00 5.10 N ATOM 0 H HIS A 131 -12.363 -5.163 0.678 1.00 33.13 H new ATOM 0 HA HIS A 131 -12.684 -7.962 -0.279 1.00 33.32 H new ATOM 0 HB2 HIS A 131 -14.589 -5.554 -0.504 1.00 23.24 H new ATOM 0 HB3 HIS A 131 -14.880 -7.108 -1.261 1.00 23.24 H new ATOM 0 HD2 HIS A 131 -14.872 -5.581 2.391 1.00 12.44 H new ATOM 0 HE1 HIS A 131 -16.860 -9.321 2.462 1.00 33.51 H new ATOM 0 HE2 HIS A 131 -16.271 -7.260 3.822 1.00 5.10 H new ATOM 2130 N HIS A 132 -11.304 -5.618 -1.838 1.00 53.54 N ATOM 2131 CA HIS A 132 -10.655 -5.105 -3.084 1.00 64.15 C ATOM 2132 C HIS A 132 -11.645 -4.332 -4.007 1.00 51.31 C ATOM 2133 O HIS A 132 -12.775 -4.029 -3.606 1.00 74.25 O ATOM 2134 CB HIS A 132 -9.938 -6.250 -3.857 1.00 21.43 C ATOM 2135 CG HIS A 132 -8.890 -6.968 -3.048 1.00 15.32 C ATOM 2136 ND1 HIS A 132 -9.016 -8.279 -2.639 1.00 71.43 N ATOM 2137 CD2 HIS A 132 -7.698 -6.546 -2.566 1.00 52.23 C ATOM 2138 CE1 HIS A 132 -7.958 -8.629 -1.942 1.00 44.15 C ATOM 2139 NE2 HIS A 132 -7.142 -7.600 -1.882 1.00 62.45 N ATOM 0 H HIS A 132 -10.912 -5.212 -0.988 1.00 53.54 H new ATOM 0 HA HIS A 132 -9.902 -4.384 -2.767 1.00 64.15 H new ATOM 0 HB2 HIS A 132 -10.683 -6.972 -4.191 1.00 21.43 H new ATOM 0 HB3 HIS A 132 -9.472 -5.836 -4.751 1.00 21.43 H new ATOM 0 HD2 HIS A 132 -7.265 -5.565 -2.695 1.00 52.23 H new ATOM 0 HE1 HIS A 132 -7.788 -9.597 -1.495 1.00 44.15 H new ATOM 0 HE2 HIS A 132 -6.241 -7.586 -1.404 1.00 62.45 H new ATOM 2148 N HIS A 133 -11.164 -3.964 -5.226 1.00 45.10 N ATOM 2149 CA HIS A 133 -11.945 -3.237 -6.281 1.00 61.21 C ATOM 2150 C HIS A 133 -12.153 -1.723 -5.970 1.00 64.34 C ATOM 2151 O HIS A 133 -12.540 -0.957 -6.860 1.00 65.43 O ATOM 2152 CB HIS A 133 -13.307 -3.934 -6.592 1.00 72.53 C ATOM 2153 CG HIS A 133 -13.171 -5.375 -7.025 1.00 4.52 C ATOM 2154 ND1 HIS A 133 -13.549 -6.442 -6.234 1.00 64.35 N ATOM 2155 CD2 HIS A 133 -12.687 -5.920 -8.168 1.00 33.04 C ATOM 2156 CE1 HIS A 133 -13.304 -7.571 -6.868 1.00 74.22 C ATOM 2157 NE2 HIS A 133 -12.783 -7.283 -8.037 1.00 20.54 N ATOM 0 H HIS A 133 -10.206 -4.165 -5.514 1.00 45.10 H new ATOM 0 HA HIS A 133 -11.327 -3.288 -7.177 1.00 61.21 H new ATOM 0 HB2 HIS A 133 -13.938 -3.889 -5.704 1.00 72.53 H new ATOM 0 HB3 HIS A 133 -13.819 -3.376 -7.376 1.00 72.53 H new ATOM 0 HD2 HIS A 133 -12.299 -5.383 -9.021 1.00 33.04 H new ATOM 0 HE1 HIS A 133 -13.499 -8.564 -6.490 1.00 74.22 H new ATOM 0 HE2 HIS A 133 -12.495 -7.965 -8.739 1.00 20.54 H new ATOM 2166 N HIS A 134 -11.871 -1.297 -4.720 1.00 73.13 N ATOM 2167 CA HIS A 134 -12.040 0.109 -4.278 1.00 70.15 C ATOM 2168 C HIS A 134 -10.731 0.908 -4.495 1.00 53.22 C ATOM 2169 O HIS A 134 -9.659 0.465 -4.077 1.00 54.23 O ATOM 2170 CB HIS A 134 -12.463 0.140 -2.787 1.00 5.41 C ATOM 2171 CG HIS A 134 -13.653 -0.735 -2.480 1.00 41.24 C ATOM 2172 ND1 HIS A 134 -14.863 -0.603 -3.126 1.00 50.11 N ATOM 2173 CD2 HIS A 134 -13.798 -1.790 -1.635 1.00 40.33 C ATOM 2174 CE1 HIS A 134 -15.695 -1.526 -2.698 1.00 50.50 C ATOM 2175 NE2 HIS A 134 -15.078 -2.258 -1.796 1.00 14.14 N ATOM 0 H HIS A 134 -11.520 -1.915 -3.988 1.00 73.13 H new ATOM 0 HA HIS A 134 -12.822 0.578 -4.875 1.00 70.15 H new ATOM 0 HB2 HIS A 134 -11.621 -0.177 -2.172 1.00 5.41 H new ATOM 0 HB3 HIS A 134 -12.695 1.167 -2.505 1.00 5.41 H new ATOM 0 HD2 HIS A 134 -13.049 -2.185 -0.965 1.00 40.33 H new ATOM 0 HE1 HIS A 134 -16.714 -1.661 -3.031 1.00 50.50 H new ATOM 0 HE2 HIS A 134 -15.486 -3.048 -1.296 1.00 14.14 H new ATOM 2184 N HIS A 135 -10.820 2.080 -5.160 1.00 30.11 N ATOM 2185 CA HIS A 135 -9.628 2.890 -5.540 1.00 12.32 C ATOM 2186 C HIS A 135 -9.792 4.392 -5.164 1.00 30.21 C ATOM 2187 O HIS A 135 -9.115 4.886 -4.254 1.00 24.24 O ATOM 2188 CB HIS A 135 -9.350 2.738 -7.065 1.00 12.42 C ATOM 2189 CG HIS A 135 -9.085 1.316 -7.497 1.00 4.01 C ATOM 2190 ND1 HIS A 135 -10.061 0.496 -8.018 1.00 70.21 N ATOM 2191 CD2 HIS A 135 -7.954 0.564 -7.469 1.00 21.22 C ATOM 2192 CE1 HIS A 135 -9.552 -0.684 -8.288 1.00 55.24 C ATOM 2193 NE2 HIS A 135 -8.278 -0.674 -7.968 1.00 73.03 N ATOM 0 H HIS A 135 -11.707 2.493 -5.449 1.00 30.11 H new ATOM 0 HA HIS A 135 -8.777 2.511 -4.975 1.00 12.32 H new ATOM 0 HB2 HIS A 135 -10.205 3.123 -7.621 1.00 12.42 H new ATOM 0 HB3 HIS A 135 -8.492 3.355 -7.332 1.00 12.42 H new ATOM 0 HD2 HIS A 135 -6.982 0.880 -7.120 1.00 21.22 H new ATOM 0 HE1 HIS A 135 -10.091 -1.523 -8.704 1.00 55.24 H new ATOM 0 HE2 HIS A 135 -7.634 -1.458 -8.073 1.00 73.03 H new ATOM 2202 N HIS A 136 -10.726 5.085 -5.864 1.00 61.42 N ATOM 2203 CA HIS A 136 -10.883 6.570 -5.834 1.00 44.42 C ATOM 2204 C HIS A 136 -9.622 7.282 -6.370 1.00 51.20 C ATOM 2205 O HIS A 136 -9.103 6.931 -7.434 1.00 32.05 O ATOM 2206 CB HIS A 136 -11.247 7.114 -4.428 1.00 24.00 C ATOM 2207 CG HIS A 136 -12.485 6.509 -3.829 1.00 34.11 C ATOM 2208 ND1 HIS A 136 -12.451 5.541 -2.848 1.00 74.12 N ATOM 2209 CD2 HIS A 136 -13.796 6.742 -4.070 1.00 62.24 C ATOM 2210 CE1 HIS A 136 -13.678 5.208 -2.516 1.00 61.32 C ATOM 2211 NE2 HIS A 136 -14.515 5.921 -3.241 1.00 62.54 N ATOM 0 H HIS A 136 -11.402 4.626 -6.474 1.00 61.42 H new ATOM 0 HA HIS A 136 -11.722 6.793 -6.493 1.00 44.42 H new ATOM 0 HB2 HIS A 136 -10.408 6.936 -3.755 1.00 24.00 H new ATOM 0 HB3 HIS A 136 -11.380 8.194 -4.493 1.00 24.00 H new ATOM 0 HD2 HIS A 136 -14.201 7.445 -4.783 1.00 62.24 H new ATOM 0 HE1 HIS A 136 -13.954 4.473 -1.774 1.00 61.32 H new ATOM 0 HE2 HIS A 136 -15.533 5.870 -3.193 1.00 62.54 H new TER 2220 HIS A 136