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 10 TYR OH : rot 180:sc= -0.0555 USER MOD Set 1.2: A 117 SER OG : rot -38:sc= 0.738 USER MOD Set 1.3: A 118 GLN : amide:sc= -0.788 K(o=-0.11,f=-4.1!) USER MOD Set 2.1: A 46 THR OG1 : rot 65:sc= 0.226 USER MOD Set 2.2: A 56 GLN : amide:sc= 0.247 K(o=0.47,f=-0.23) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.000731 (180deg=-0.136) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 158:sc= 1.07 (180deg=0.6) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HE2:sc= 0.261 K(o=0.26,f=-1.3) USER MOD Single : A 13 ASN : amide:sc= -0.385 K(o=-0.38,f=-4.9!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= -1.15 (180deg=-2.37!) USER MOD Single : A 18 ASN : amide:sc= -0.503 K(o=-0.5,f=-6.2!) USER MOD Single : A 22 SER OG : rot 99:sc= 0.318 USER MOD Single : A 25 SER OG : rot -82:sc= 0.979 USER MOD Single : A 26 THR OG1 : rot -11:sc= 0.175 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= -0.128 (180deg=-0.483) USER MOD Single : A 40 SER OG : rot -112:sc= 0.17 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -9:sc= -0.146! 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= -0.488 X(o=-0.49,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0.0862 X(o=0.086,f=-0.35) USER MOD Single : A 77 ASN : amide:sc= -0.02 X(o=-0.02,f=-0.15) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -128:sc= -0.764 (180deg=-1.83!) USER MOD Single : A 86 MET CE :methyl -142:sc= -2.07! (180deg=-2.43!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 89 ASN : amide:sc= -0.294 K(o=-0.29,f=-1.5!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.72 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.333 USER MOD Single : A 100 THR OG1 : rot 125:sc= 0.123 USER MOD Single : A 103 SER OG : rot 75:sc= 0.325 USER MOD Single : A 112 LYS NZ :NH3+ -165:sc= -1.18 (180deg=-1.96!) USER MOD Single : A 120 SER OG : rot 72:sc= 0.744 USER MOD Single : A 121 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00919) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 CYS SG : rot -0:sc= 0.914 USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= -0.385 X(o=-0.39,f=0) USER MOD Single : A 134 HIS : no HD1:sc=-0.00509 X(o=-0.0051,f=-0.0051) USER MOD Single : A 135 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.03) USER MOD Single : A 136 HIS : no HD1:sc= -0.035 X(o=-0.035,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.100 25.984 -5.534 1.00 72.34 N ATOM 2 CA MET A 1 -1.143 24.916 -5.511 1.00 64.13 C ATOM 3 C MET A 1 -0.480 23.518 -5.562 1.00 34.42 C ATOM 4 O MET A 1 0.277 23.231 -6.493 1.00 55.51 O ATOM 5 CB MET A 1 -2.118 25.085 -6.713 1.00 13.14 C ATOM 6 CG MET A 1 -2.832 26.445 -6.789 1.00 72.40 C ATOM 7 SD MET A 1 -3.959 26.725 -5.404 1.00 44.52 S ATOM 8 CE MET A 1 -4.625 28.345 -5.805 1.00 34.12 C ATOM 0 H1 MET A 1 -0.537 26.901 -5.313 1.00 72.34 H new ATOM 0 H2 MET A 1 0.632 25.770 -4.827 1.00 72.34 H new ATOM 0 H3 MET A 1 0.333 26.026 -6.478 1.00 72.34 H new ATOM 0 HA MET A 1 -1.709 25.005 -4.584 1.00 64.13 H new ATOM 0 HB2 MET A 1 -1.560 24.933 -7.637 1.00 13.14 H new ATOM 0 HB3 MET A 1 -2.872 24.299 -6.663 1.00 13.14 H new ATOM 0 HG2 MET A 1 -2.087 27.240 -6.811 1.00 72.40 H new ATOM 0 HG3 MET A 1 -3.390 26.505 -7.723 1.00 72.40 H new ATOM 0 HE1 MET A 1 -5.336 28.647 -5.036 1.00 34.12 H new ATOM 0 HE2 MET A 1 -3.813 29.071 -5.853 1.00 34.12 H new ATOM 0 HE3 MET A 1 -5.131 28.302 -6.770 1.00 34.12 H new ATOM 20 N LYS A 2 -0.761 22.664 -4.556 1.00 64.13 N ATOM 21 CA LYS A 2 -0.209 21.288 -4.487 1.00 73.21 C ATOM 22 C LYS A 2 -1.116 20.366 -3.637 1.00 21.43 C ATOM 23 O LYS A 2 -1.668 20.790 -2.615 1.00 22.12 O ATOM 24 CB LYS A 2 1.243 21.298 -3.913 1.00 55.15 C ATOM 25 CG LYS A 2 1.940 19.913 -3.870 1.00 75.22 C ATOM 26 CD LYS A 2 2.053 19.258 -5.272 1.00 24.21 C ATOM 27 CE LYS A 2 2.599 17.822 -5.215 1.00 51.15 C ATOM 28 NZ LYS A 2 3.968 17.753 -4.637 1.00 62.43 N ATOM 0 H LYS A 2 -1.371 22.902 -3.774 1.00 64.13 H new ATOM 0 HA LYS A 2 -0.176 20.894 -5.503 1.00 73.21 H new ATOM 0 HB2 LYS A 2 1.850 21.975 -4.513 1.00 55.15 H new ATOM 0 HB3 LYS A 2 1.215 21.706 -2.902 1.00 55.15 H new ATOM 0 HG2 LYS A 2 2.937 20.025 -3.444 1.00 75.22 H new ATOM 0 HG3 LYS A 2 1.383 19.251 -3.207 1.00 75.22 H new ATOM 0 HD2 LYS A 2 1.071 19.250 -5.745 1.00 24.21 H new ATOM 0 HD3 LYS A 2 2.705 19.865 -5.900 1.00 24.21 H new ATOM 0 HE2 LYS A 2 1.926 17.205 -4.620 1.00 51.15 H new ATOM 0 HE3 LYS A 2 2.612 17.402 -6.221 1.00 51.15 H new ATOM 0 HZ1 LYS A 2 4.289 16.764 -4.621 1.00 62.43 H new ATOM 0 HZ2 LYS A 2 4.619 18.319 -5.218 1.00 62.43 H new ATOM 0 HZ3 LYS A 2 3.955 18.128 -3.667 1.00 62.43 H new ATOM 42 N LYS A 3 -1.248 19.099 -4.080 1.00 55.04 N ATOM 43 CA LYS A 3 -2.030 18.065 -3.372 1.00 14.24 C ATOM 44 C LYS A 3 -1.405 17.691 -2.009 1.00 10.41 C ATOM 45 O LYS A 3 -0.179 17.724 -1.841 1.00 42.13 O ATOM 46 CB LYS A 3 -2.148 16.793 -4.243 1.00 60.01 C ATOM 47 CG LYS A 3 -2.819 17.009 -5.617 1.00 4.43 C ATOM 48 CD LYS A 3 -3.248 15.678 -6.279 1.00 32.03 C ATOM 49 CE LYS A 3 -2.066 14.701 -6.490 1.00 65.55 C ATOM 50 NZ LYS A 3 -2.490 13.390 -7.055 1.00 0.52 N ATOM 0 H LYS A 3 -0.815 18.764 -4.940 1.00 55.04 H new ATOM 0 HA LYS A 3 -3.018 18.485 -3.187 1.00 14.24 H new ATOM 0 HB2 LYS A 3 -1.150 16.385 -4.402 1.00 60.01 H new ATOM 0 HB3 LYS A 3 -2.715 16.043 -3.691 1.00 60.01 H new ATOM 0 HG2 LYS A 3 -3.693 17.649 -5.495 1.00 4.43 H new ATOM 0 HG3 LYS A 3 -2.129 17.534 -6.277 1.00 4.43 H new ATOM 0 HD2 LYS A 3 -4.004 15.197 -5.659 1.00 32.03 H new ATOM 0 HD3 LYS A 3 -3.713 15.890 -7.242 1.00 32.03 H new ATOM 0 HE2 LYS A 3 -1.337 15.160 -7.158 1.00 65.55 H new ATOM 0 HE3 LYS A 3 -1.564 14.535 -5.537 1.00 65.55 H new ATOM 0 HZ1 LYS A 3 -1.678 12.931 -7.515 1.00 0.52 H new ATOM 0 HZ2 LYS A 3 -2.844 12.781 -6.290 1.00 0.52 H new ATOM 0 HZ3 LYS A 3 -3.244 13.541 -7.755 1.00 0.52 H new ATOM 64 N GLU A 4 -2.268 17.317 -1.056 1.00 5.24 N ATOM 65 CA GLU A 4 -1.853 16.872 0.284 1.00 31.24 C ATOM 66 C GLU A 4 -1.345 15.408 0.249 1.00 72.50 C ATOM 67 O GLU A 4 -2.024 14.517 -0.285 1.00 72.23 O ATOM 68 CB GLU A 4 -3.044 17.005 1.271 1.00 71.23 C ATOM 69 CG GLU A 4 -2.738 16.563 2.728 1.00 14.51 C ATOM 70 CD GLU A 4 -3.955 16.549 3.672 1.00 33.04 C ATOM 71 OE1 GLU A 4 -5.117 16.627 3.207 1.00 62.54 O ATOM 72 OE2 GLU A 4 -3.758 16.414 4.901 1.00 14.15 O ATOM 0 H GLU A 4 -3.279 17.314 -1.192 1.00 5.24 H new ATOM 0 HA GLU A 4 -1.033 17.505 0.622 1.00 31.24 H new ATOM 0 HB2 GLU A 4 -3.372 18.044 1.283 1.00 71.23 H new ATOM 0 HB3 GLU A 4 -3.877 16.412 0.894 1.00 71.23 H new ATOM 0 HG2 GLU A 4 -2.303 15.564 2.705 1.00 14.51 H new ATOM 0 HG3 GLU A 4 -1.982 17.230 3.143 1.00 14.51 H new ATOM 79 N LYS A 5 -0.140 15.174 0.803 1.00 71.41 N ATOM 80 CA LYS A 5 0.358 13.808 1.055 1.00 50.43 C ATOM 81 C LYS A 5 -0.314 13.256 2.327 1.00 41.35 C ATOM 82 O LYS A 5 -0.389 13.953 3.349 1.00 41.53 O ATOM 83 CB LYS A 5 1.895 13.775 1.239 1.00 54.31 C ATOM 84 CG LYS A 5 2.463 12.337 1.388 1.00 50.22 C ATOM 85 CD LYS A 5 3.928 12.294 1.866 1.00 63.54 C ATOM 86 CE LYS A 5 4.095 12.825 3.302 1.00 70.12 C ATOM 87 NZ LYS A 5 5.447 12.546 3.837 1.00 71.51 N ATOM 0 H LYS A 5 0.506 15.912 1.084 1.00 71.41 H new ATOM 0 HA LYS A 5 0.112 13.196 0.187 1.00 50.43 H new ATOM 0 HB2 LYS A 5 2.367 14.258 0.384 1.00 54.31 H new ATOM 0 HB3 LYS A 5 2.161 14.357 2.121 1.00 54.31 H new ATOM 0 HG2 LYS A 5 1.844 11.783 2.094 1.00 50.22 H new ATOM 0 HG3 LYS A 5 2.388 11.825 0.428 1.00 50.22 H new ATOM 0 HD2 LYS A 5 4.293 11.268 1.817 1.00 63.54 H new ATOM 0 HD3 LYS A 5 4.545 12.885 1.189 1.00 63.54 H new ATOM 0 HE2 LYS A 5 3.913 13.900 3.316 1.00 70.12 H new ATOM 0 HE3 LYS A 5 3.346 12.367 3.948 1.00 70.12 H new ATOM 0 HZ1 LYS A 5 5.521 12.918 4.805 1.00 71.51 H new ATOM 0 HZ2 LYS A 5 5.611 11.519 3.848 1.00 71.51 H new ATOM 0 HZ3 LYS A 5 6.160 13.004 3.235 1.00 71.51 H new ATOM 101 N ILE A 6 -0.787 12.005 2.270 1.00 2.13 N ATOM 102 CA ILE A 6 -1.545 11.377 3.374 1.00 33.04 C ATOM 103 C ILE A 6 -1.050 9.927 3.615 1.00 44.51 C ATOM 104 O ILE A 6 -0.864 9.159 2.674 1.00 51.43 O ATOM 105 CB ILE A 6 -3.108 11.399 3.102 1.00 30.44 C ATOM 106 CG1 ILE A 6 -3.485 10.507 1.874 1.00 1.54 C ATOM 107 CG2 ILE A 6 -3.632 12.847 2.907 1.00 43.24 C ATOM 108 CD1 ILE A 6 -4.931 10.591 1.432 1.00 72.45 C ATOM 0 H ILE A 6 -0.659 11.396 1.462 1.00 2.13 H new ATOM 0 HA ILE A 6 -1.364 11.963 4.275 1.00 33.04 H new ATOM 0 HB ILE A 6 -3.593 10.983 3.985 1.00 30.44 H new ATOM 0 HG12 ILE A 6 -2.849 10.786 1.034 1.00 1.54 H new ATOM 0 HG13 ILE A 6 -3.256 9.469 2.116 1.00 1.54 H new ATOM 0 HG21 ILE A 6 -4.706 12.824 2.723 1.00 43.24 H new ATOM 0 HG22 ILE A 6 -3.430 13.431 3.805 1.00 43.24 H new ATOM 0 HG23 ILE A 6 -3.128 13.305 2.056 1.00 43.24 H new ATOM 0 HD11 ILE A 6 -5.088 9.936 0.575 1.00 72.45 H new ATOM 0 HD12 ILE A 6 -5.580 10.280 2.250 1.00 72.45 H new ATOM 0 HD13 ILE A 6 -5.167 11.618 1.152 1.00 72.45 H new ATOM 120 N HIS A 7 -0.766 9.590 4.879 1.00 72.14 N ATOM 121 CA HIS A 7 -0.495 8.200 5.307 1.00 13.35 C ATOM 122 C HIS A 7 -1.654 7.700 6.197 1.00 44.24 C ATOM 123 O HIS A 7 -1.889 8.222 7.295 1.00 63.13 O ATOM 124 CB HIS A 7 0.883 8.092 6.023 1.00 22.05 C ATOM 125 CG HIS A 7 1.127 9.121 7.097 1.00 5.22 C ATOM 126 ND1 HIS A 7 0.765 8.938 8.413 1.00 63.20 N ATOM 127 CD2 HIS A 7 1.708 10.346 7.043 1.00 71.23 C ATOM 128 CE1 HIS A 7 1.105 9.996 9.116 1.00 13.44 C ATOM 129 NE2 HIS A 7 1.679 10.865 8.310 1.00 33.53 N ATOM 0 H HIS A 7 -0.716 10.269 5.639 1.00 72.14 H new ATOM 0 HA HIS A 7 -0.438 7.557 4.428 1.00 13.35 H new ATOM 0 HB2 HIS A 7 0.968 7.100 6.466 1.00 22.05 H new ATOM 0 HB3 HIS A 7 1.671 8.176 5.275 1.00 22.05 H new ATOM 0 HD1 HIS A 7 0.303 8.108 8.786 1.00 63.20 H new ATOM 0 HD2 HIS A 7 2.117 10.823 6.165 1.00 71.23 H new ATOM 0 HE1 HIS A 7 0.941 10.130 10.175 1.00 13.44 H new ATOM 138 N LEU A 8 -2.385 6.686 5.702 1.00 32.34 N ATOM 139 CA LEU A 8 -3.593 6.158 6.368 1.00 62.41 C ATOM 140 C LEU A 8 -3.227 4.905 7.185 1.00 63.50 C ATOM 141 O LEU A 8 -2.829 3.881 6.623 1.00 31.21 O ATOM 142 CB LEU A 8 -4.711 5.841 5.315 1.00 34.41 C ATOM 143 CG LEU A 8 -5.663 7.029 4.928 1.00 34.13 C ATOM 144 CD1 LEU A 8 -4.889 8.266 4.444 1.00 51.14 C ATOM 145 CD2 LEU A 8 -6.711 6.587 3.879 1.00 34.44 C ATOM 0 H LEU A 8 -2.157 6.209 4.830 1.00 32.34 H new ATOM 0 HA LEU A 8 -3.986 6.914 7.048 1.00 62.41 H new ATOM 0 HB2 LEU A 8 -4.231 5.478 4.406 1.00 34.41 H new ATOM 0 HB3 LEU A 8 -5.322 5.025 5.701 1.00 34.41 H new ATOM 0 HG LEU A 8 -6.190 7.318 5.837 1.00 34.13 H new ATOM 0 HD11 LEU A 8 -5.592 9.059 4.189 1.00 51.14 H new ATOM 0 HD12 LEU A 8 -4.224 8.612 5.235 1.00 51.14 H new ATOM 0 HD13 LEU A 8 -4.301 8.006 3.564 1.00 51.14 H new ATOM 0 HD21 LEU A 8 -7.356 7.430 3.631 1.00 34.44 H new ATOM 0 HD22 LEU A 8 -6.202 6.242 2.979 1.00 34.44 H new ATOM 0 HD23 LEU A 8 -7.315 5.777 4.287 1.00 34.44 H new ATOM 157 N GLU A 9 -3.384 5.009 8.515 1.00 73.24 N ATOM 158 CA GLU A 9 -2.937 3.979 9.476 1.00 53.33 C ATOM 159 C GLU A 9 -4.044 2.938 9.772 1.00 23.22 C ATOM 160 O GLU A 9 -5.157 3.285 10.158 1.00 32.25 O ATOM 161 CB GLU A 9 -2.486 4.652 10.803 1.00 11.41 C ATOM 162 CG GLU A 9 -2.106 3.664 11.937 1.00 0.31 C ATOM 163 CD GLU A 9 -1.938 4.344 13.306 1.00 33.11 C ATOM 164 OE1 GLU A 9 -2.959 4.754 13.901 1.00 65.11 O ATOM 165 OE2 GLU A 9 -0.800 4.482 13.794 1.00 70.03 O ATOM 0 H GLU A 9 -3.827 5.813 8.959 1.00 73.24 H new ATOM 0 HA GLU A 9 -2.098 3.452 9.021 1.00 53.33 H new ATOM 0 HB2 GLU A 9 -1.629 5.293 10.596 1.00 11.41 H new ATOM 0 HB3 GLU A 9 -3.289 5.298 11.157 1.00 11.41 H new ATOM 0 HG2 GLU A 9 -2.875 2.896 12.013 1.00 0.31 H new ATOM 0 HG3 GLU A 9 -1.177 3.159 11.673 1.00 0.31 H new ATOM 172 N TYR A 10 -3.713 1.652 9.615 1.00 22.33 N ATOM 173 CA TYR A 10 -4.654 0.539 9.845 1.00 14.42 C ATOM 174 C TYR A 10 -4.076 -0.479 10.847 1.00 71.42 C ATOM 175 O TYR A 10 -2.877 -0.780 10.812 1.00 34.33 O ATOM 176 CB TYR A 10 -4.944 -0.160 8.496 1.00 20.21 C ATOM 177 CG TYR A 10 -5.462 0.784 7.398 1.00 42.52 C ATOM 178 CD1 TYR A 10 -6.666 1.480 7.553 1.00 31.31 C ATOM 179 CD2 TYR A 10 -4.751 0.977 6.210 1.00 43.22 C ATOM 180 CE1 TYR A 10 -7.134 2.326 6.568 1.00 11.33 C ATOM 181 CE2 TYR A 10 -5.219 1.823 5.225 1.00 41.31 C ATOM 182 CZ TYR A 10 -6.412 2.492 5.409 1.00 52.53 C ATOM 183 OH TYR A 10 -6.887 3.326 4.420 1.00 20.45 O ATOM 0 H TYR A 10 -2.784 1.348 9.324 1.00 22.33 H new ATOM 0 HA TYR A 10 -5.576 0.939 10.267 1.00 14.42 H new ATOM 0 HB2 TYR A 10 -4.031 -0.642 8.145 1.00 20.21 H new ATOM 0 HB3 TYR A 10 -5.679 -0.949 8.658 1.00 20.21 H new ATOM 0 HD1 TYR A 10 -7.239 1.353 8.459 1.00 31.31 H new ATOM 0 HD2 TYR A 10 -3.818 0.454 6.060 1.00 43.22 H new ATOM 0 HE1 TYR A 10 -8.065 2.856 6.707 1.00 11.33 H new ATOM 0 HE2 TYR A 10 -4.654 1.961 4.315 1.00 41.31 H new ATOM 0 HH TYR A 10 -6.258 3.333 3.668 1.00 20.45 H new ATOM 193 N LEU A 11 -4.933 -1.016 11.731 1.00 40.33 N ATOM 194 CA LEU A 11 -4.566 -2.171 12.572 1.00 52.44 C ATOM 195 C LEU A 11 -4.784 -3.457 11.739 1.00 0.14 C ATOM 196 O LEU A 11 -5.914 -3.909 11.514 1.00 41.03 O ATOM 197 CB LEU A 11 -5.352 -2.211 13.942 1.00 0.30 C ATOM 198 CG LEU A 11 -6.906 -2.488 13.927 1.00 33.21 C ATOM 199 CD1 LEU A 11 -7.457 -2.736 15.348 1.00 32.44 C ATOM 200 CD2 LEU A 11 -7.689 -1.360 13.234 1.00 50.20 C ATOM 0 H LEU A 11 -5.881 -0.672 11.883 1.00 40.33 H new ATOM 0 HA LEU A 11 -3.518 -2.084 12.857 1.00 52.44 H new ATOM 0 HB2 LEU A 11 -4.888 -2.976 14.565 1.00 0.30 H new ATOM 0 HB3 LEU A 11 -5.193 -1.254 14.440 1.00 0.30 H new ATOM 0 HG LEU A 11 -7.050 -3.398 13.344 1.00 33.21 H new ATOM 0 HD11 LEU A 11 -8.530 -2.923 15.295 1.00 32.44 H new ATOM 0 HD12 LEU A 11 -6.959 -3.602 15.785 1.00 32.44 H new ATOM 0 HD13 LEU A 11 -7.272 -1.859 15.968 1.00 32.44 H new ATOM 0 HD21 LEU A 11 -8.753 -1.594 13.248 1.00 50.20 H new ATOM 0 HD22 LEU A 11 -7.517 -0.421 13.761 1.00 50.20 H new ATOM 0 HD23 LEU A 11 -7.352 -1.264 12.202 1.00 50.20 H new ATOM 212 N LEU A 12 -3.688 -4.018 11.223 1.00 15.42 N ATOM 213 CA LEU A 12 -3.750 -5.232 10.392 1.00 61.24 C ATOM 214 C LEU A 12 -3.326 -6.447 11.242 1.00 72.54 C ATOM 215 O LEU A 12 -2.180 -6.531 11.697 1.00 64.24 O ATOM 216 CB LEU A 12 -2.871 -5.090 9.099 1.00 65.21 C ATOM 217 CG LEU A 12 -3.492 -5.690 7.785 1.00 64.43 C ATOM 218 CD1 LEU A 12 -3.915 -7.166 7.958 1.00 32.52 C ATOM 219 CD2 LEU A 12 -4.675 -4.830 7.289 1.00 73.32 C ATOM 0 H LEU A 12 -2.745 -3.654 11.363 1.00 15.42 H new ATOM 0 HA LEU A 12 -4.775 -5.380 10.051 1.00 61.24 H new ATOM 0 HB2 LEU A 12 -2.669 -4.032 8.933 1.00 65.21 H new ATOM 0 HB3 LEU A 12 -1.911 -5.574 9.279 1.00 65.21 H new ATOM 0 HG LEU A 12 -2.710 -5.670 7.026 1.00 64.43 H new ATOM 0 HD11 LEU A 12 -4.338 -7.535 7.024 1.00 32.52 H new ATOM 0 HD12 LEU A 12 -3.044 -7.765 8.224 1.00 32.52 H new ATOM 0 HD13 LEU A 12 -4.662 -7.240 8.749 1.00 32.52 H new ATOM 0 HD21 LEU A 12 -5.086 -5.267 6.379 1.00 73.32 H new ATOM 0 HD22 LEU A 12 -5.448 -4.797 8.057 1.00 73.32 H new ATOM 0 HD23 LEU A 12 -4.327 -3.818 7.080 1.00 73.32 H new ATOM 231 N ASN A 13 -4.267 -7.376 11.444 1.00 74.41 N ATOM 232 CA ASN A 13 -4.023 -8.621 12.187 1.00 40.40 C ATOM 233 C ASN A 13 -3.271 -9.615 11.274 1.00 64.43 C ATOM 234 O ASN A 13 -3.730 -9.907 10.164 1.00 31.43 O ATOM 235 CB ASN A 13 -5.373 -9.200 12.677 1.00 45.44 C ATOM 236 CG ASN A 13 -6.235 -8.174 13.441 1.00 52.10 C ATOM 237 OD1 ASN A 13 -7.451 -8.178 13.347 1.00 13.01 O ATOM 238 ND2 ASN A 13 -5.621 -7.301 14.224 1.00 64.15 N ATOM 0 H ASN A 13 -5.222 -7.287 11.097 1.00 74.41 H new ATOM 0 HA ASN A 13 -3.404 -8.429 13.063 1.00 40.40 H new ATOM 0 HB2 ASN A 13 -5.935 -9.569 11.819 1.00 45.44 H new ATOM 0 HB3 ASN A 13 -5.180 -10.056 13.324 1.00 45.44 H new ATOM 0 HD21 ASN A 13 -6.165 -6.622 14.757 1.00 64.15 H new ATOM 0 HD22 ASN A 13 -4.603 -7.307 14.295 1.00 64.15 H new ATOM 245 N ALA A 14 -2.114 -10.114 11.746 1.00 32.02 N ATOM 246 CA ALA A 14 -1.170 -10.913 10.933 1.00 41.24 C ATOM 247 C ALA A 14 -1.759 -12.276 10.464 1.00 74.54 C ATOM 248 O ALA A 14 -1.591 -13.306 11.125 1.00 74.22 O ATOM 249 CB ALA A 14 0.142 -11.119 11.717 1.00 40.13 C ATOM 0 H ALA A 14 -1.803 -9.975 12.707 1.00 32.02 H new ATOM 0 HA ALA A 14 -0.971 -10.348 10.022 1.00 41.24 H new ATOM 0 HB1 ALA A 14 0.836 -11.708 11.117 1.00 40.13 H new ATOM 0 HB2 ALA A 14 0.588 -10.150 11.941 1.00 40.13 H new ATOM 0 HB3 ALA A 14 -0.069 -11.645 12.648 1.00 40.13 H new ATOM 255 N THR A 15 -2.481 -12.243 9.329 1.00 15.14 N ATOM 256 CA THR A 15 -3.006 -13.453 8.648 1.00 15.23 C ATOM 257 C THR A 15 -1.867 -14.172 7.892 1.00 15.42 C ATOM 258 O THR A 15 -1.747 -15.402 7.930 1.00 73.24 O ATOM 259 CB THR A 15 -4.158 -13.075 7.646 1.00 42.24 C ATOM 260 OG1 THR A 15 -5.202 -12.373 8.344 1.00 3.12 O ATOM 261 CG2 THR A 15 -4.759 -14.303 6.932 1.00 42.42 C ATOM 0 H THR A 15 -2.721 -11.374 8.852 1.00 15.14 H new ATOM 0 HA THR A 15 -3.413 -14.123 9.406 1.00 15.23 H new ATOM 0 HB THR A 15 -3.714 -12.438 6.881 1.00 42.24 H new ATOM 0 HG1 THR A 15 -5.916 -12.139 7.715 1.00 3.12 H new ATOM 0 HG21 THR A 15 -5.549 -13.979 6.254 1.00 42.42 H new ATOM 0 HG22 THR A 15 -3.980 -14.812 6.365 1.00 42.42 H new ATOM 0 HG23 THR A 15 -5.174 -14.987 7.672 1.00 42.42 H new ATOM 269 N SER A 16 -1.029 -13.370 7.218 1.00 61.32 N ATOM 270 CA SER A 16 0.134 -13.851 6.436 1.00 74.33 C ATOM 271 C SER A 16 1.434 -13.176 6.934 1.00 12.42 C ATOM 272 O SER A 16 2.392 -13.045 6.177 1.00 21.50 O ATOM 273 CB SER A 16 -0.089 -13.543 4.930 1.00 30.23 C ATOM 274 OG SER A 16 -1.262 -14.169 4.432 1.00 54.41 O ATOM 0 H SER A 16 -1.136 -12.356 7.197 1.00 61.32 H new ATOM 0 HA SER A 16 0.233 -14.928 6.571 1.00 74.33 H new ATOM 0 HB2 SER A 16 -0.163 -12.465 4.787 1.00 30.23 H new ATOM 0 HB3 SER A 16 0.775 -13.882 4.358 1.00 30.23 H new ATOM 0 HG SER A 16 -1.371 -13.952 3.483 1.00 54.41 H new ATOM 280 N LYS A 17 1.449 -12.792 8.228 1.00 42.52 N ATOM 281 CA LYS A 17 2.576 -12.066 8.876 1.00 10.24 C ATOM 282 C LYS A 17 2.920 -10.747 8.105 1.00 43.23 C ATOM 283 O LYS A 17 2.066 -9.875 7.999 1.00 2.11 O ATOM 284 CB LYS A 17 3.795 -13.024 9.067 1.00 62.00 C ATOM 285 CG LYS A 17 4.889 -12.513 10.036 1.00 10.00 C ATOM 286 CD LYS A 17 6.075 -13.501 10.228 1.00 75.04 C ATOM 287 CE LYS A 17 5.768 -14.687 11.176 1.00 71.21 C ATOM 288 NZ LYS A 17 4.669 -15.563 10.688 1.00 14.45 N ATOM 0 H LYS A 17 0.673 -12.977 8.864 1.00 42.52 H new ATOM 0 HA LYS A 17 2.275 -11.746 9.873 1.00 10.24 H new ATOM 0 HB2 LYS A 17 3.429 -13.984 9.431 1.00 62.00 H new ATOM 0 HB3 LYS A 17 4.250 -13.205 8.093 1.00 62.00 H new ATOM 0 HG2 LYS A 17 5.276 -11.565 9.663 1.00 10.00 H new ATOM 0 HG3 LYS A 17 4.435 -12.313 11.007 1.00 10.00 H new ATOM 0 HD2 LYS A 17 6.366 -13.895 9.254 1.00 75.04 H new ATOM 0 HD3 LYS A 17 6.931 -12.951 10.618 1.00 75.04 H new ATOM 0 HE2 LYS A 17 6.671 -15.285 11.302 1.00 71.21 H new ATOM 0 HE3 LYS A 17 5.503 -14.298 12.159 1.00 71.21 H new ATOM 0 HZ1 LYS A 17 4.827 -16.536 11.021 1.00 14.45 H new ATOM 0 HZ2 LYS A 17 3.760 -15.215 11.053 1.00 14.45 H new ATOM 0 HZ3 LYS A 17 4.652 -15.551 9.648 1.00 14.45 H new ATOM 302 N ASN A 18 4.164 -10.574 7.613 1.00 73.30 N ATOM 303 CA ASN A 18 4.537 -9.438 6.739 1.00 52.12 C ATOM 304 C ASN A 18 4.019 -9.595 5.281 1.00 51.43 C ATOM 305 O ASN A 18 3.747 -8.591 4.616 1.00 24.43 O ATOM 306 CB ASN A 18 6.062 -9.192 6.765 1.00 31.35 C ATOM 307 CG ASN A 18 6.926 -10.396 6.357 1.00 30.12 C ATOM 308 OD1 ASN A 18 6.607 -11.542 6.652 1.00 44.51 O ATOM 309 ND2 ASN A 18 8.029 -10.146 5.673 1.00 32.23 N ATOM 0 H ASN A 18 4.935 -11.212 7.808 1.00 73.30 H new ATOM 0 HA ASN A 18 4.038 -8.560 7.149 1.00 52.12 H new ATOM 0 HB2 ASN A 18 6.291 -8.359 6.100 1.00 31.35 H new ATOM 0 HB3 ASN A 18 6.347 -8.885 7.771 1.00 31.35 H new ATOM 0 HD21 ASN A 18 8.633 -10.914 5.380 1.00 32.23 H new ATOM 0 HD22 ASN A 18 8.276 -9.185 5.438 1.00 32.23 H new ATOM 316 N ILE A 19 3.878 -10.863 4.808 1.00 64.31 N ATOM 317 CA ILE A 19 3.532 -11.200 3.389 1.00 63.32 C ATOM 318 C ILE A 19 2.202 -10.519 2.908 1.00 1.52 C ATOM 319 O ILE A 19 2.006 -10.344 1.697 1.00 2.31 O ATOM 320 CB ILE A 19 3.479 -12.783 3.140 1.00 40.34 C ATOM 321 CG1 ILE A 19 4.864 -13.488 3.428 1.00 22.35 C ATOM 322 CG2 ILE A 19 3.004 -13.150 1.705 1.00 31.42 C ATOM 323 CD1 ILE A 19 5.180 -13.783 4.878 1.00 74.32 C ATOM 0 H ILE A 19 4.000 -11.686 5.398 1.00 64.31 H new ATOM 0 HA ILE A 19 4.341 -10.790 2.785 1.00 63.32 H new ATOM 0 HB ILE A 19 2.743 -13.155 3.853 1.00 40.34 H new ATOM 0 HG12 ILE A 19 4.891 -14.427 2.875 1.00 22.35 H new ATOM 0 HG13 ILE A 19 5.658 -12.858 3.027 1.00 22.35 H new ATOM 0 HG21 ILE A 19 2.988 -14.234 1.593 1.00 31.42 H new ATOM 0 HG22 ILE A 19 2.002 -12.753 1.541 1.00 31.42 H new ATOM 0 HG23 ILE A 19 3.689 -12.720 0.974 1.00 31.42 H new ATOM 0 HD11 ILE A 19 6.155 -14.266 4.947 1.00 74.32 H new ATOM 0 HD12 ILE A 19 5.196 -12.851 5.444 1.00 74.32 H new ATOM 0 HD13 ILE A 19 4.417 -14.444 5.289 1.00 74.32 H new ATOM 335 N LEU A 20 1.350 -10.073 3.878 1.00 34.05 N ATOM 336 CA LEU A 20 0.042 -9.392 3.618 1.00 24.11 C ATOM 337 C LEU A 20 0.131 -8.370 2.453 1.00 32.03 C ATOM 338 O LEU A 20 -0.537 -8.518 1.425 1.00 72.53 O ATOM 339 CB LEU A 20 -0.407 -8.636 4.905 1.00 1.01 C ATOM 340 CG LEU A 20 -0.713 -9.508 6.164 1.00 44.51 C ATOM 341 CD1 LEU A 20 -0.693 -8.646 7.452 1.00 2.41 C ATOM 342 CD2 LEU A 20 -2.058 -10.257 6.007 1.00 42.35 C ATOM 0 H LEU A 20 1.553 -10.177 4.872 1.00 34.05 H new ATOM 0 HA LEU A 20 -0.677 -10.162 3.340 1.00 24.11 H new ATOM 0 HB2 LEU A 20 0.373 -7.921 5.168 1.00 1.01 H new ATOM 0 HB3 LEU A 20 -1.301 -8.059 4.666 1.00 1.01 H new ATOM 0 HG LEU A 20 0.073 -10.258 6.255 1.00 44.51 H new ATOM 0 HD11 LEU A 20 -0.909 -9.276 8.315 1.00 2.41 H new ATOM 0 HD12 LEU A 20 0.291 -8.192 7.571 1.00 2.41 H new ATOM 0 HD13 LEU A 20 -1.447 -7.862 7.377 1.00 2.41 H new ATOM 0 HD21 LEU A 20 -2.247 -10.857 6.898 1.00 42.35 H new ATOM 0 HD22 LEU A 20 -2.864 -9.534 5.879 1.00 42.35 H new ATOM 0 HD23 LEU A 20 -2.012 -10.908 5.134 1.00 42.35 H new ATOM 354 N TRP A 21 0.967 -7.337 2.634 1.00 23.22 N ATOM 355 CA TRP A 21 1.307 -6.373 1.570 1.00 32.00 C ATOM 356 C TRP A 21 2.680 -6.655 0.934 1.00 30.13 C ATOM 357 O TRP A 21 2.884 -6.294 -0.212 1.00 11.13 O ATOM 358 CB TRP A 21 1.235 -4.930 2.109 1.00 71.23 C ATOM 359 CG TRP A 21 -0.179 -4.386 2.178 1.00 14.12 C ATOM 360 CD1 TRP A 21 -1.067 -4.479 3.214 1.00 52.41 C ATOM 361 CD2 TRP A 21 -0.856 -3.669 1.134 1.00 11.20 C ATOM 362 NE1 TRP A 21 -2.238 -3.841 2.883 1.00 32.40 N ATOM 363 CE2 TRP A 21 -2.133 -3.340 1.612 1.00 53.23 C ATOM 364 CE3 TRP A 21 -0.489 -3.268 -0.157 1.00 0.40 C ATOM 365 CZ2 TRP A 21 -3.053 -2.627 0.844 1.00 34.55 C ATOM 366 CZ3 TRP A 21 -1.401 -2.564 -0.921 1.00 71.42 C ATOM 367 CH2 TRP A 21 -2.670 -2.245 -0.417 1.00 13.14 C ATOM 0 H TRP A 21 1.429 -7.144 3.523 1.00 23.22 H new ATOM 0 HA TRP A 21 0.567 -6.492 0.779 1.00 32.00 H new ATOM 0 HB2 TRP A 21 1.678 -4.899 3.104 1.00 71.23 H new ATOM 0 HB3 TRP A 21 1.836 -4.281 1.472 1.00 71.23 H new ATOM 0 HD1 TRP A 21 -0.876 -4.979 4.152 1.00 52.41 H new ATOM 0 HE1 TRP A 21 -3.055 -3.754 3.487 1.00 32.40 H new ATOM 0 HE3 TRP A 21 0.489 -3.505 -0.549 1.00 0.40 H new ATOM 0 HZ2 TRP A 21 -4.033 -2.384 1.228 1.00 34.55 H new ATOM 0 HZ3 TRP A 21 -1.132 -2.255 -1.920 1.00 71.42 H new ATOM 0 HH2 TRP A 21 -3.360 -1.688 -1.034 1.00 13.14 H new ATOM 378 N SER A 22 3.613 -7.309 1.670 1.00 33.43 N ATOM 379 CA SER A 22 4.991 -7.617 1.152 1.00 71.21 C ATOM 380 C SER A 22 4.977 -8.458 -0.156 1.00 73.44 C ATOM 381 O SER A 22 5.969 -8.492 -0.882 1.00 64.33 O ATOM 382 CB SER A 22 5.837 -8.337 2.234 1.00 53.12 C ATOM 383 OG SER A 22 7.149 -8.640 1.783 1.00 64.51 O ATOM 0 H SER A 22 3.448 -7.637 2.622 1.00 33.43 H new ATOM 0 HA SER A 22 5.447 -6.657 0.911 1.00 71.21 H new ATOM 0 HB2 SER A 22 5.897 -7.708 3.122 1.00 53.12 H new ATOM 0 HB3 SER A 22 5.336 -9.259 2.530 1.00 53.12 H new ATOM 0 HG SER A 22 7.774 -7.964 2.118 1.00 64.51 H new ATOM 389 N ALA A 23 3.834 -9.115 -0.443 1.00 63.25 N ATOM 390 CA ALA A 23 3.599 -9.863 -1.707 1.00 61.43 C ATOM 391 C ALA A 23 3.838 -9.002 -2.975 1.00 65.34 C ATOM 392 O ALA A 23 4.276 -9.516 -4.007 1.00 13.42 O ATOM 393 CB ALA A 23 2.164 -10.410 -1.715 1.00 43.23 C ATOM 0 H ALA A 23 3.040 -9.145 0.196 1.00 63.25 H new ATOM 0 HA ALA A 23 4.322 -10.678 -1.739 1.00 61.43 H new ATOM 0 HB1 ALA A 23 1.989 -10.959 -2.640 1.00 43.23 H new ATOM 0 HB2 ALA A 23 2.025 -11.078 -0.865 1.00 43.23 H new ATOM 0 HB3 ALA A 23 1.459 -9.582 -1.645 1.00 43.23 H new ATOM 399 N ILE A 24 3.580 -7.682 -2.869 1.00 51.32 N ATOM 400 CA ILE A 24 3.683 -6.745 -4.016 1.00 75.34 C ATOM 401 C ILE A 24 5.141 -6.532 -4.510 1.00 73.24 C ATOM 402 O ILE A 24 5.352 -6.014 -5.609 1.00 71.13 O ATOM 403 CB ILE A 24 3.009 -5.358 -3.696 1.00 21.43 C ATOM 404 CG1 ILE A 24 3.793 -4.594 -2.578 1.00 34.53 C ATOM 405 CG2 ILE A 24 1.519 -5.558 -3.315 1.00 73.13 C ATOM 406 CD1 ILE A 24 3.108 -3.352 -2.032 1.00 54.35 C ATOM 0 H ILE A 24 3.297 -7.235 -1.997 1.00 51.32 H new ATOM 0 HA ILE A 24 3.138 -7.223 -4.830 1.00 75.34 H new ATOM 0 HB ILE A 24 3.047 -4.740 -4.593 1.00 21.43 H new ATOM 0 HG12 ILE A 24 3.974 -5.281 -1.751 1.00 34.53 H new ATOM 0 HG13 ILE A 24 4.767 -4.307 -2.973 1.00 34.53 H new ATOM 0 HG21 ILE A 24 1.066 -4.591 -3.096 1.00 73.13 H new ATOM 0 HG22 ILE A 24 0.991 -6.027 -4.145 1.00 73.13 H new ATOM 0 HG23 ILE A 24 1.451 -6.197 -2.435 1.00 73.13 H new ATOM 0 HD11 ILE A 24 3.735 -2.899 -1.264 1.00 54.35 H new ATOM 0 HD12 ILE A 24 2.951 -2.638 -2.840 1.00 54.35 H new ATOM 0 HD13 ILE A 24 2.146 -3.627 -1.600 1.00 54.35 H new ATOM 418 N SER A 25 6.128 -6.941 -3.697 1.00 51.13 N ATOM 419 CA SER A 25 7.566 -6.840 -4.053 1.00 22.44 C ATOM 420 C SER A 25 7.963 -7.847 -5.155 1.00 13.44 C ATOM 421 O SER A 25 8.905 -7.607 -5.919 1.00 51.24 O ATOM 422 CB SER A 25 8.435 -7.081 -2.803 1.00 61.41 C ATOM 423 OG SER A 25 8.365 -8.434 -2.369 1.00 13.32 O ATOM 0 H SER A 25 5.961 -7.350 -2.778 1.00 51.13 H new ATOM 0 HA SER A 25 7.735 -5.835 -4.440 1.00 22.44 H new ATOM 0 HB2 SER A 25 9.471 -6.822 -3.024 1.00 61.41 H new ATOM 0 HB3 SER A 25 8.107 -6.423 -1.999 1.00 61.41 H new ATOM 0 HG SER A 25 7.555 -8.564 -1.833 1.00 13.32 H new ATOM 429 N THR A 26 7.262 -8.995 -5.193 1.00 13.43 N ATOM 430 CA THR A 26 7.489 -10.060 -6.194 1.00 52.10 C ATOM 431 C THR A 26 6.428 -10.010 -7.309 1.00 72.42 C ATOM 432 O THR A 26 5.304 -9.556 -7.070 1.00 41.11 O ATOM 433 CB THR A 26 7.439 -11.487 -5.548 1.00 54.23 C ATOM 434 OG1 THR A 26 6.170 -11.698 -4.913 1.00 63.50 O ATOM 435 CG2 THR A 26 8.577 -11.697 -4.540 1.00 42.14 C ATOM 0 H THR A 26 6.519 -9.213 -4.529 1.00 13.43 H new ATOM 0 HA THR A 26 8.481 -9.881 -6.608 1.00 52.10 H new ATOM 0 HB THR A 26 7.568 -12.216 -6.348 1.00 54.23 H new ATOM 0 HG1 THR A 26 5.684 -10.848 -4.863 1.00 63.50 H new ATOM 0 HG21 THR A 26 8.506 -12.698 -4.115 1.00 42.14 H new ATOM 0 HG22 THR A 26 9.536 -11.584 -5.045 1.00 42.14 H new ATOM 0 HG23 THR A 26 8.498 -10.958 -3.743 1.00 42.14 H new ATOM 443 N PRO A 27 6.775 -10.476 -8.555 1.00 22.35 N ATOM 444 CA PRO A 27 5.780 -10.686 -9.640 1.00 12.41 C ATOM 445 C PRO A 27 4.624 -11.637 -9.215 1.00 32.53 C ATOM 446 O PRO A 27 3.463 -11.227 -9.156 1.00 55.24 O ATOM 447 CB PRO A 27 6.634 -11.292 -10.801 1.00 51.44 C ATOM 448 CG PRO A 27 7.903 -11.757 -10.140 1.00 65.42 C ATOM 449 CD PRO A 27 8.153 -10.774 -9.031 1.00 63.44 C ATOM 0 HA PRO A 27 5.272 -9.763 -9.920 1.00 12.41 H new ATOM 0 HB2 PRO A 27 6.114 -12.119 -11.285 1.00 51.44 H new ATOM 0 HB3 PRO A 27 6.838 -10.549 -11.572 1.00 51.44 H new ATOM 0 HG2 PRO A 27 7.796 -12.770 -9.752 1.00 65.42 H new ATOM 0 HG3 PRO A 27 8.732 -11.772 -10.847 1.00 65.42 H new ATOM 0 HD2 PRO A 27 8.773 -11.200 -8.242 1.00 63.44 H new ATOM 0 HD3 PRO A 27 8.662 -9.879 -9.388 1.00 63.44 H new ATOM 457 N THR A 28 4.982 -12.901 -8.891 1.00 22.31 N ATOM 458 CA THR A 28 4.031 -13.956 -8.469 1.00 45.30 C ATOM 459 C THR A 28 3.103 -13.527 -7.294 1.00 11.14 C ATOM 460 O THR A 28 1.934 -13.905 -7.269 1.00 35.41 O ATOM 461 CB THR A 28 4.801 -15.273 -8.092 1.00 64.15 C ATOM 462 OG1 THR A 28 3.878 -16.327 -7.751 1.00 3.11 O ATOM 463 CG2 THR A 28 5.799 -15.064 -6.931 1.00 0.42 C ATOM 0 H THR A 28 5.950 -13.221 -8.915 1.00 22.31 H new ATOM 0 HA THR A 28 3.383 -14.137 -9.327 1.00 45.30 H new ATOM 0 HB THR A 28 5.373 -15.559 -8.975 1.00 64.15 H new ATOM 0 HG1 THR A 28 4.378 -17.138 -7.521 1.00 3.11 H new ATOM 0 HG21 THR A 28 6.304 -16.005 -6.711 1.00 0.42 H new ATOM 0 HG22 THR A 28 6.537 -14.314 -7.216 1.00 0.42 H new ATOM 0 HG23 THR A 28 5.261 -14.725 -6.045 1.00 0.42 H new ATOM 471 N GLY A 29 3.636 -12.725 -6.346 1.00 31.15 N ATOM 472 CA GLY A 29 2.866 -12.256 -5.178 1.00 64.00 C ATOM 473 C GLY A 29 1.880 -11.122 -5.496 1.00 33.32 C ATOM 474 O GLY A 29 0.734 -11.134 -5.034 1.00 31.23 O ATOM 0 H GLY A 29 4.599 -12.390 -6.369 1.00 31.15 H new ATOM 0 HA2 GLY A 29 2.314 -13.097 -4.758 1.00 64.00 H new ATOM 0 HA3 GLY A 29 3.561 -11.915 -4.410 1.00 64.00 H new ATOM 478 N LEU A 30 2.358 -10.132 -6.260 1.00 32.34 N ATOM 479 CA LEU A 30 1.565 -8.951 -6.698 1.00 61.03 C ATOM 480 C LEU A 30 0.287 -9.373 -7.479 1.00 14.13 C ATOM 481 O LEU A 30 -0.830 -8.934 -7.170 1.00 50.51 O ATOM 482 CB LEU A 30 2.471 -8.020 -7.589 1.00 25.34 C ATOM 483 CG LEU A 30 2.394 -6.475 -7.354 1.00 64.42 C ATOM 484 CD1 LEU A 30 3.293 -5.706 -8.339 1.00 23.15 C ATOM 485 CD2 LEU A 30 0.961 -5.940 -7.379 1.00 15.31 C ATOM 0 H LEU A 30 3.319 -10.118 -6.602 1.00 32.34 H new ATOM 0 HA LEU A 30 1.237 -8.408 -5.812 1.00 61.03 H new ATOM 0 HB2 LEU A 30 3.507 -8.328 -7.447 1.00 25.34 H new ATOM 0 HB3 LEU A 30 2.222 -8.212 -8.633 1.00 25.34 H new ATOM 0 HG LEU A 30 2.773 -6.302 -6.347 1.00 64.42 H new ATOM 0 HD11 LEU A 30 3.213 -4.636 -8.145 1.00 23.15 H new ATOM 0 HD12 LEU A 30 4.328 -6.022 -8.210 1.00 23.15 H new ATOM 0 HD13 LEU A 30 2.975 -5.914 -9.361 1.00 23.15 H new ATOM 0 HD21 LEU A 30 0.972 -4.863 -7.210 1.00 15.31 H new ATOM 0 HD22 LEU A 30 0.511 -6.151 -8.349 1.00 15.31 H new ATOM 0 HD23 LEU A 30 0.378 -6.424 -6.595 1.00 15.31 H new ATOM 497 N GLU A 31 0.468 -10.259 -8.468 1.00 2.25 N ATOM 498 CA GLU A 31 -0.616 -10.667 -9.399 1.00 21.22 C ATOM 499 C GLU A 31 -1.668 -11.620 -8.765 1.00 70.32 C ATOM 500 O GLU A 31 -2.667 -11.941 -9.414 1.00 12.14 O ATOM 501 CB GLU A 31 -0.004 -11.314 -10.665 1.00 70.32 C ATOM 502 CG GLU A 31 0.806 -12.599 -10.418 1.00 42.32 C ATOM 503 CD GLU A 31 1.415 -13.172 -11.708 1.00 45.25 C ATOM 504 OE1 GLU A 31 2.521 -12.743 -12.109 1.00 71.12 O ATOM 505 OE2 GLU A 31 0.785 -14.043 -12.337 1.00 13.43 O ATOM 0 H GLU A 31 1.361 -10.716 -8.652 1.00 2.25 H new ATOM 0 HA GLU A 31 -1.155 -9.756 -9.660 1.00 21.22 H new ATOM 0 HB2 GLU A 31 -0.810 -11.540 -11.364 1.00 70.32 H new ATOM 0 HB3 GLU A 31 0.643 -10.583 -11.150 1.00 70.32 H new ATOM 0 HG2 GLU A 31 1.604 -12.390 -9.706 1.00 42.32 H new ATOM 0 HG3 GLU A 31 0.160 -13.349 -9.961 1.00 42.32 H new ATOM 512 N ASP A 32 -1.447 -12.065 -7.509 1.00 62.11 N ATOM 513 CA ASP A 32 -2.421 -12.917 -6.778 1.00 61.00 C ATOM 514 C ASP A 32 -3.753 -12.186 -6.482 1.00 20.42 C ATOM 515 O ASP A 32 -4.812 -12.822 -6.409 1.00 32.33 O ATOM 516 CB ASP A 32 -1.824 -13.407 -5.433 1.00 50.34 C ATOM 517 CG ASP A 32 -0.684 -14.426 -5.575 1.00 3.42 C ATOM 518 OD1 ASP A 32 -0.808 -15.373 -6.381 1.00 21.21 O ATOM 519 OD2 ASP A 32 0.308 -14.323 -4.830 1.00 42.53 O ATOM 0 H ASP A 32 -0.604 -11.850 -6.977 1.00 62.11 H new ATOM 0 HA ASP A 32 -2.629 -13.762 -7.434 1.00 61.00 H new ATOM 0 HB2 ASP A 32 -1.456 -12.544 -4.878 1.00 50.34 H new ATOM 0 HB3 ASP A 32 -2.621 -13.853 -4.838 1.00 50.34 H new ATOM 524 N TRP A 33 -3.685 -10.855 -6.298 1.00 64.45 N ATOM 525 CA TRP A 33 -4.811 -10.062 -5.746 1.00 72.42 C ATOM 526 C TRP A 33 -4.986 -8.684 -6.425 1.00 34.14 C ATOM 527 O TRP A 33 -6.086 -8.120 -6.393 1.00 14.22 O ATOM 528 CB TRP A 33 -4.640 -9.909 -4.197 1.00 43.22 C ATOM 529 CG TRP A 33 -3.320 -9.299 -3.720 1.00 3.02 C ATOM 530 CD1 TRP A 33 -2.046 -9.630 -4.118 1.00 15.44 C ATOM 531 CD2 TRP A 33 -3.155 -8.304 -2.697 1.00 22.44 C ATOM 532 NE1 TRP A 33 -1.123 -8.883 -3.441 1.00 24.24 N ATOM 533 CE2 TRP A 33 -1.775 -8.068 -2.555 1.00 23.42 C ATOM 534 CE3 TRP A 33 -4.044 -7.588 -1.897 1.00 74.41 C ATOM 535 CZ2 TRP A 33 -1.269 -7.143 -1.648 1.00 25.03 C ATOM 536 CZ3 TRP A 33 -3.543 -6.674 -0.994 1.00 25.45 C ATOM 537 CH2 TRP A 33 -2.166 -6.458 -0.873 1.00 45.21 C ATOM 0 H TRP A 33 -2.860 -10.299 -6.523 1.00 64.45 H new ATOM 0 HA TRP A 33 -5.726 -10.613 -5.962 1.00 72.42 H new ATOM 0 HB2 TRP A 33 -5.457 -9.294 -3.821 1.00 43.22 H new ATOM 0 HB3 TRP A 33 -4.747 -10.894 -3.742 1.00 43.22 H new ATOM 0 HD1 TRP A 33 -1.808 -10.376 -4.862 1.00 15.44 H new ATOM 0 HE1 TRP A 33 -0.113 -8.926 -3.574 1.00 24.24 H new ATOM 0 HE3 TRP A 33 -5.109 -7.747 -1.983 1.00 74.41 H new ATOM 0 HZ2 TRP A 33 -0.207 -6.971 -1.558 1.00 25.03 H new ATOM 0 HZ3 TRP A 33 -4.225 -6.116 -0.370 1.00 25.45 H new ATOM 0 HH2 TRP A 33 -1.804 -5.737 -0.155 1.00 45.21 H new ATOM 548 N PHE A 34 -3.917 -8.135 -7.028 1.00 22.12 N ATOM 549 CA PHE A 34 -3.957 -6.788 -7.660 1.00 11.43 C ATOM 550 C PHE A 34 -4.515 -6.838 -9.109 1.00 34.14 C ATOM 551 O PHE A 34 -5.599 -6.309 -9.385 1.00 10.04 O ATOM 552 CB PHE A 34 -2.544 -6.156 -7.632 1.00 24.32 C ATOM 553 CG PHE A 34 -2.427 -4.750 -8.249 1.00 50.31 C ATOM 554 CD1 PHE A 34 -2.894 -3.624 -7.569 1.00 42.34 C ATOM 555 CD2 PHE A 34 -1.836 -4.553 -9.504 1.00 42.01 C ATOM 556 CE1 PHE A 34 -2.783 -2.358 -8.119 1.00 34.45 C ATOM 557 CE2 PHE A 34 -1.726 -3.287 -10.050 1.00 2.12 C ATOM 558 CZ PHE A 34 -2.198 -2.191 -9.360 1.00 15.44 C ATOM 0 H PHE A 34 -3.010 -8.597 -7.095 1.00 22.12 H new ATOM 0 HA PHE A 34 -4.640 -6.165 -7.083 1.00 11.43 H new ATOM 0 HB2 PHE A 34 -2.209 -6.107 -6.596 1.00 24.32 H new ATOM 0 HB3 PHE A 34 -1.859 -6.821 -8.157 1.00 24.32 H new ATOM 0 HD1 PHE A 34 -3.350 -3.742 -6.597 1.00 42.34 H new ATOM 0 HD2 PHE A 34 -1.460 -5.403 -10.054 1.00 42.01 H new ATOM 0 HE1 PHE A 34 -3.154 -1.500 -7.578 1.00 34.45 H new ATOM 0 HE2 PHE A 34 -1.269 -3.157 -11.020 1.00 2.12 H new ATOM 0 HZ PHE A 34 -2.111 -1.203 -9.788 1.00 15.44 H new ATOM 568 N ALA A 35 -3.758 -7.470 -10.023 1.00 21.22 N ATOM 569 CA ALA A 35 -4.103 -7.537 -11.471 1.00 11.44 C ATOM 570 C ALA A 35 -4.181 -9.003 -11.961 1.00 11.30 C ATOM 571 O ALA A 35 -4.066 -9.943 -11.166 1.00 53.12 O ATOM 572 CB ALA A 35 -3.066 -6.732 -12.289 1.00 54.03 C ATOM 0 H ALA A 35 -2.890 -7.951 -9.789 1.00 21.22 H new ATOM 0 HA ALA A 35 -5.089 -7.095 -11.617 1.00 11.44 H new ATOM 0 HB1 ALA A 35 -3.320 -6.782 -13.348 1.00 54.03 H new ATOM 0 HB2 ALA A 35 -3.073 -5.692 -11.963 1.00 54.03 H new ATOM 0 HB3 ALA A 35 -2.073 -7.154 -12.134 1.00 54.03 H new ATOM 578 N ASP A 36 -4.403 -9.167 -13.279 1.00 34.44 N ATOM 579 CA ASP A 36 -4.399 -10.485 -13.962 1.00 11.00 C ATOM 580 C ASP A 36 -3.009 -11.149 -13.852 1.00 12.02 C ATOM 581 O ASP A 36 -2.871 -12.274 -13.350 1.00 71.12 O ATOM 582 CB ASP A 36 -4.767 -10.299 -15.455 1.00 53.45 C ATOM 583 CG ASP A 36 -6.130 -9.615 -15.650 1.00 10.23 C ATOM 584 OD1 ASP A 36 -6.225 -8.396 -15.393 1.00 32.34 O ATOM 585 OD2 ASP A 36 -7.115 -10.287 -16.027 1.00 15.30 O ATOM 0 H ASP A 36 -4.592 -8.387 -13.908 1.00 34.44 H new ATOM 0 HA ASP A 36 -5.134 -11.129 -13.480 1.00 11.00 H new ATOM 0 HB2 ASP A 36 -3.994 -9.706 -15.944 1.00 53.45 H new ATOM 0 HB3 ASP A 36 -4.780 -11.272 -15.946 1.00 53.45 H new ATOM 590 N LYS A 37 -1.994 -10.417 -14.328 1.00 51.41 N ATOM 591 CA LYS A 37 -0.588 -10.829 -14.255 1.00 75.23 C ATOM 592 C LYS A 37 0.330 -9.591 -14.248 1.00 72.32 C ATOM 593 O LYS A 37 -0.026 -8.544 -14.792 1.00 25.33 O ATOM 594 CB LYS A 37 -0.218 -11.790 -15.424 1.00 41.34 C ATOM 595 CG LYS A 37 1.258 -12.234 -15.393 1.00 75.23 C ATOM 596 CD LYS A 37 1.616 -13.364 -16.372 1.00 33.25 C ATOM 597 CE LYS A 37 3.083 -13.805 -16.202 1.00 1.13 C ATOM 598 NZ LYS A 37 3.380 -14.210 -14.798 1.00 40.22 N ATOM 0 H LYS A 37 -2.128 -9.512 -14.779 1.00 51.41 H new ATOM 0 HA LYS A 37 -0.441 -11.376 -13.324 1.00 75.23 H new ATOM 0 HB2 LYS A 37 -0.858 -12.671 -15.379 1.00 41.34 H new ATOM 0 HB3 LYS A 37 -0.423 -11.295 -16.373 1.00 41.34 H new ATOM 0 HG2 LYS A 37 1.886 -11.371 -15.612 1.00 75.23 H new ATOM 0 HG3 LYS A 37 1.503 -12.558 -14.382 1.00 75.23 H new ATOM 0 HD2 LYS A 37 0.956 -14.215 -16.206 1.00 33.25 H new ATOM 0 HD3 LYS A 37 1.451 -13.028 -17.396 1.00 33.25 H new ATOM 0 HE2 LYS A 37 3.292 -14.638 -16.873 1.00 1.13 H new ATOM 0 HE3 LYS A 37 3.744 -12.988 -16.492 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 4.253 -14.776 -14.777 1.00 40.22 H new ATOM 0 HZ2 LYS A 37 3.504 -13.361 -14.210 1.00 40.22 H new ATOM 0 HZ3 LYS A 37 2.591 -14.777 -14.426 1.00 40.22 H new ATOM 612 N VAL A 38 1.491 -9.702 -13.573 1.00 63.21 N ATOM 613 CA VAL A 38 2.547 -8.669 -13.599 1.00 63.05 C ATOM 614 C VAL A 38 3.924 -9.312 -13.977 1.00 72.04 C ATOM 615 O VAL A 38 4.316 -10.350 -13.433 1.00 3.25 O ATOM 616 CB VAL A 38 2.629 -7.890 -12.227 1.00 20.10 C ATOM 617 CG1 VAL A 38 1.272 -7.228 -11.864 1.00 71.44 C ATOM 618 CG2 VAL A 38 3.108 -8.791 -11.076 1.00 4.53 C ATOM 0 H VAL A 38 1.724 -10.509 -12.995 1.00 63.21 H new ATOM 0 HA VAL A 38 2.290 -7.937 -14.364 1.00 63.05 H new ATOM 0 HB VAL A 38 3.370 -7.103 -12.364 1.00 20.10 H new ATOM 0 HG11 VAL A 38 1.367 -6.701 -10.914 1.00 71.44 H new ATOM 0 HG12 VAL A 38 0.992 -6.521 -12.645 1.00 71.44 H new ATOM 0 HG13 VAL A 38 0.504 -7.996 -11.778 1.00 71.44 H new ATOM 0 HG21 VAL A 38 3.149 -8.212 -10.153 1.00 4.53 H new ATOM 0 HG22 VAL A 38 2.414 -9.623 -10.952 1.00 4.53 H new ATOM 0 HG23 VAL A 38 4.101 -9.178 -11.306 1.00 4.53 H new ATOM 628 N VAL A 39 4.620 -8.713 -14.960 1.00 51.14 N ATOM 629 CA VAL A 39 5.963 -9.156 -15.410 1.00 10.20 C ATOM 630 C VAL A 39 7.066 -8.299 -14.741 1.00 13.00 C ATOM 631 O VAL A 39 7.069 -7.080 -14.869 1.00 71.40 O ATOM 632 CB VAL A 39 6.089 -9.035 -16.977 1.00 44.02 C ATOM 633 CG1 VAL A 39 7.455 -9.575 -17.493 1.00 25.45 C ATOM 634 CG2 VAL A 39 4.897 -9.727 -17.690 1.00 65.05 C ATOM 0 H VAL A 39 4.269 -7.903 -15.471 1.00 51.14 H new ATOM 0 HA VAL A 39 6.090 -10.199 -15.120 1.00 10.20 H new ATOM 0 HB VAL A 39 6.053 -7.974 -17.225 1.00 44.02 H new ATOM 0 HG11 VAL A 39 7.500 -9.473 -18.577 1.00 25.45 H new ATOM 0 HG12 VAL A 39 8.266 -9.004 -17.041 1.00 25.45 H new ATOM 0 HG13 VAL A 39 7.556 -10.626 -17.223 1.00 25.45 H new ATOM 0 HG21 VAL A 39 5.011 -9.627 -18.769 1.00 65.05 H new ATOM 0 HG22 VAL A 39 4.877 -10.784 -17.423 1.00 65.05 H new ATOM 0 HG23 VAL A 39 3.964 -9.257 -17.379 1.00 65.05 H new ATOM 644 N SER A 40 8.009 -8.951 -14.041 1.00 10.43 N ATOM 645 CA SER A 40 9.112 -8.257 -13.335 1.00 61.32 C ATOM 646 C SER A 40 10.295 -7.928 -14.275 1.00 15.24 C ATOM 647 O SER A 40 10.855 -8.817 -14.927 1.00 43.14 O ATOM 648 CB SER A 40 9.625 -9.121 -12.165 1.00 13.23 C ATOM 649 OG SER A 40 10.719 -8.505 -11.493 1.00 70.42 O ATOM 0 H SER A 40 8.034 -9.966 -13.945 1.00 10.43 H new ATOM 0 HA SER A 40 8.705 -7.318 -12.960 1.00 61.32 H new ATOM 0 HB2 SER A 40 8.814 -9.293 -11.457 1.00 13.23 H new ATOM 0 HB3 SER A 40 9.932 -10.097 -12.541 1.00 13.23 H new ATOM 0 HG SER A 40 11.534 -9.026 -11.649 1.00 70.42 H new ATOM 655 N ASP A 41 10.659 -6.638 -14.326 1.00 42.43 N ATOM 656 CA ASP A 41 11.910 -6.143 -14.950 1.00 41.04 C ATOM 657 C ASP A 41 13.012 -5.941 -13.868 1.00 72.11 C ATOM 658 O ASP A 41 13.907 -5.096 -14.033 1.00 21.13 O ATOM 659 CB ASP A 41 11.616 -4.807 -15.687 1.00 3.22 C ATOM 660 CG ASP A 41 10.392 -4.894 -16.608 1.00 53.31 C ATOM 661 OD1 ASP A 41 9.261 -4.676 -16.121 1.00 34.40 O ATOM 662 OD2 ASP A 41 10.560 -5.210 -17.806 1.00 51.34 O ATOM 0 H ASP A 41 10.088 -5.892 -13.930 1.00 42.43 H new ATOM 0 HA ASP A 41 12.274 -6.878 -15.668 1.00 41.04 H new ATOM 0 HB2 ASP A 41 11.456 -4.019 -14.951 1.00 3.22 H new ATOM 0 HB3 ASP A 41 12.488 -4.522 -16.275 1.00 3.22 H new ATOM 667 N ASP A 42 12.923 -6.743 -12.777 1.00 70.13 N ATOM 668 CA ASP A 42 13.834 -6.712 -11.609 1.00 14.44 C ATOM 669 C ASP A 42 13.662 -5.407 -10.778 1.00 14.21 C ATOM 670 O ASP A 42 13.043 -5.418 -9.705 1.00 32.14 O ATOM 671 CB ASP A 42 15.316 -6.951 -12.029 1.00 43.14 C ATOM 672 CG ASP A 42 16.250 -7.135 -10.824 1.00 33.32 C ATOM 673 OD1 ASP A 42 16.191 -8.210 -10.190 1.00 14.51 O ATOM 674 OD2 ASP A 42 17.026 -6.210 -10.494 1.00 71.31 O ATOM 0 H ASP A 42 12.193 -7.449 -12.685 1.00 70.13 H new ATOM 0 HA ASP A 42 13.553 -7.539 -10.957 1.00 14.44 H new ATOM 0 HB2 ASP A 42 15.371 -7.835 -12.665 1.00 43.14 H new ATOM 0 HB3 ASP A 42 15.661 -6.107 -12.626 1.00 43.14 H new ATOM 679 N LYS A 43 14.196 -4.292 -11.295 1.00 63.44 N ATOM 680 CA LYS A 43 14.079 -2.956 -10.661 1.00 42.22 C ATOM 681 C LYS A 43 12.724 -2.268 -10.992 1.00 71.42 C ATOM 682 O LYS A 43 12.371 -1.250 -10.386 1.00 62.10 O ATOM 683 CB LYS A 43 15.263 -2.065 -11.118 1.00 74.20 C ATOM 684 CG LYS A 43 15.365 -1.853 -12.653 1.00 35.55 C ATOM 685 CD LYS A 43 16.513 -0.889 -13.053 1.00 70.11 C ATOM 686 CE LYS A 43 16.298 0.539 -12.518 1.00 50.24 C ATOM 687 NZ LYS A 43 17.389 1.465 -12.908 1.00 45.32 N ATOM 0 H LYS A 43 14.725 -4.283 -12.167 1.00 63.44 H new ATOM 0 HA LYS A 43 14.112 -3.091 -9.580 1.00 42.22 H new ATOM 0 HB2 LYS A 43 15.174 -1.091 -10.636 1.00 74.20 H new ATOM 0 HB3 LYS A 43 16.193 -2.511 -10.765 1.00 74.20 H new ATOM 0 HG2 LYS A 43 15.520 -2.816 -13.138 1.00 35.55 H new ATOM 0 HG3 LYS A 43 14.419 -1.458 -13.024 1.00 35.55 H new ATOM 0 HD2 LYS A 43 17.458 -1.277 -12.673 1.00 70.11 H new ATOM 0 HD3 LYS A 43 16.595 -0.858 -14.139 1.00 70.11 H new ATOM 0 HE2 LYS A 43 15.349 0.924 -12.892 1.00 50.24 H new ATOM 0 HE3 LYS A 43 16.224 0.508 -11.431 1.00 50.24 H new ATOM 0 HZ1 LYS A 43 17.195 2.411 -12.523 1.00 45.32 H new ATOM 0 HZ2 LYS A 43 18.293 1.116 -12.530 1.00 45.32 H new ATOM 0 HZ3 LYS A 43 17.445 1.518 -13.945 1.00 45.32 H new ATOM 701 N THR A 44 11.988 -2.839 -11.963 1.00 41.23 N ATOM 702 CA THR A 44 10.669 -2.332 -12.424 1.00 54.32 C ATOM 703 C THR A 44 9.633 -3.490 -12.449 1.00 11.04 C ATOM 704 O THR A 44 10.019 -4.662 -12.458 1.00 20.03 O ATOM 705 CB THR A 44 10.804 -1.686 -13.856 1.00 74.14 C ATOM 706 OG1 THR A 44 11.856 -0.706 -13.860 1.00 34.15 O ATOM 707 CG2 THR A 44 9.504 -1.022 -14.344 1.00 62.55 C ATOM 0 H THR A 44 12.291 -3.677 -12.460 1.00 41.23 H new ATOM 0 HA THR A 44 10.323 -1.567 -11.729 1.00 54.32 H new ATOM 0 HB THR A 44 11.035 -2.503 -14.540 1.00 74.14 H new ATOM 0 HG1 THR A 44 11.933 -0.312 -14.754 1.00 34.15 H new ATOM 0 HG21 THR A 44 9.663 -0.596 -15.335 1.00 62.55 H new ATOM 0 HG22 THR A 44 8.710 -1.768 -14.392 1.00 62.55 H new ATOM 0 HG23 THR A 44 9.217 -0.231 -13.651 1.00 62.55 H new ATOM 715 N VAL A 45 8.324 -3.157 -12.410 1.00 72.12 N ATOM 716 CA VAL A 45 7.221 -4.141 -12.564 1.00 64.04 C ATOM 717 C VAL A 45 6.198 -3.652 -13.628 1.00 11.31 C ATOM 718 O VAL A 45 5.587 -2.594 -13.465 1.00 5.12 O ATOM 719 CB VAL A 45 6.453 -4.395 -11.203 1.00 62.42 C ATOM 720 CG1 VAL A 45 5.325 -5.441 -11.393 1.00 2.30 C ATOM 721 CG2 VAL A 45 7.420 -4.825 -10.067 1.00 14.32 C ATOM 0 H VAL A 45 7.999 -2.200 -12.271 1.00 72.12 H new ATOM 0 HA VAL A 45 7.680 -5.076 -12.884 1.00 64.04 H new ATOM 0 HB VAL A 45 5.999 -3.450 -10.904 1.00 62.42 H new ATOM 0 HG11 VAL A 45 4.812 -5.599 -10.444 1.00 2.30 H new ATOM 0 HG12 VAL A 45 4.613 -5.078 -12.135 1.00 2.30 H new ATOM 0 HG13 VAL A 45 5.756 -6.383 -11.734 1.00 2.30 H new ATOM 0 HG21 VAL A 45 6.854 -4.989 -9.150 1.00 14.32 H new ATOM 0 HG22 VAL A 45 7.927 -5.747 -10.351 1.00 14.32 H new ATOM 0 HG23 VAL A 45 8.159 -4.041 -9.902 1.00 14.32 H new ATOM 731 N THR A 46 6.015 -4.433 -14.705 1.00 23.35 N ATOM 732 CA THR A 46 4.982 -4.177 -15.737 1.00 35.13 C ATOM 733 C THR A 46 3.652 -4.880 -15.365 1.00 73.41 C ATOM 734 O THR A 46 3.586 -6.102 -15.346 1.00 42.42 O ATOM 735 CB THR A 46 5.426 -4.692 -17.154 1.00 0.25 C ATOM 736 OG1 THR A 46 6.724 -4.188 -17.477 1.00 74.24 O ATOM 737 CG2 THR A 46 4.440 -4.267 -18.260 1.00 60.24 C ATOM 0 H THR A 46 6.578 -5.263 -14.890 1.00 23.35 H new ATOM 0 HA THR A 46 4.845 -3.096 -15.776 1.00 35.13 H new ATOM 0 HB THR A 46 5.442 -5.781 -17.106 1.00 0.25 H new ATOM 0 HG1 THR A 46 7.383 -4.556 -16.852 1.00 74.24 H new ATOM 0 HG21 THR A 46 4.787 -4.645 -19.222 1.00 60.24 H new ATOM 0 HG22 THR A 46 3.453 -4.676 -18.044 1.00 60.24 H new ATOM 0 HG23 THR A 46 4.382 -3.179 -18.297 1.00 60.24 H new ATOM 745 N PHE A 47 2.600 -4.103 -15.089 1.00 5.43 N ATOM 746 CA PHE A 47 1.240 -4.626 -14.835 1.00 34.24 C ATOM 747 C PHE A 47 0.528 -4.892 -16.176 1.00 21.44 C ATOM 748 O PHE A 47 0.197 -3.947 -16.896 1.00 75.13 O ATOM 749 CB PHE A 47 0.416 -3.600 -14.014 1.00 12.11 C ATOM 750 CG PHE A 47 1.176 -3.000 -12.842 1.00 54.04 C ATOM 751 CD1 PHE A 47 1.312 -3.699 -11.654 1.00 11.03 C ATOM 752 CD2 PHE A 47 1.748 -1.734 -12.932 1.00 4.05 C ATOM 753 CE1 PHE A 47 1.991 -3.156 -10.585 1.00 62.32 C ATOM 754 CE2 PHE A 47 2.432 -1.191 -11.867 1.00 23.01 C ATOM 755 CZ PHE A 47 2.553 -1.901 -10.687 1.00 43.43 C ATOM 0 H PHE A 47 2.661 -3.086 -15.034 1.00 5.43 H new ATOM 0 HA PHE A 47 1.321 -5.555 -14.270 1.00 34.24 H new ATOM 0 HB2 PHE A 47 0.092 -2.796 -14.675 1.00 12.11 H new ATOM 0 HB3 PHE A 47 -0.484 -4.087 -13.640 1.00 12.11 H new ATOM 0 HD1 PHE A 47 0.879 -4.684 -11.564 1.00 11.03 H new ATOM 0 HD2 PHE A 47 1.654 -1.171 -13.849 1.00 4.05 H new ATOM 0 HE1 PHE A 47 2.083 -3.715 -9.665 1.00 62.32 H new ATOM 0 HE2 PHE A 47 2.874 -0.210 -11.954 1.00 23.01 H new ATOM 0 HZ PHE A 47 3.085 -1.475 -9.849 1.00 43.43 H new ATOM 765 N CYS A 48 0.317 -6.171 -16.513 1.00 45.35 N ATOM 766 CA CYS A 48 -0.354 -6.577 -17.769 1.00 44.35 C ATOM 767 C CYS A 48 -1.757 -7.161 -17.479 1.00 5.02 C ATOM 768 O CYS A 48 -1.900 -8.243 -16.893 1.00 2.55 O ATOM 769 CB CYS A 48 0.535 -7.590 -18.534 1.00 52.11 C ATOM 770 SG CYS A 48 1.108 -8.989 -17.542 1.00 50.35 S ATOM 0 H CYS A 48 0.603 -6.957 -15.929 1.00 45.35 H new ATOM 0 HA CYS A 48 -0.493 -5.698 -18.398 1.00 44.35 H new ATOM 0 HB2 CYS A 48 -0.025 -7.972 -19.388 1.00 52.11 H new ATOM 0 HB3 CYS A 48 1.403 -7.064 -18.931 1.00 52.11 H new ATOM 0 HG CYS A 48 0.824 -8.779 -16.291 1.00 50.35 H new ATOM 776 N TRP A 49 -2.793 -6.411 -17.890 1.00 32.20 N ATOM 777 CA TRP A 49 -4.211 -6.832 -17.786 1.00 63.03 C ATOM 778 C TRP A 49 -4.647 -7.668 -19.015 1.00 65.22 C ATOM 779 O TRP A 49 -5.704 -8.310 -18.992 1.00 65.31 O ATOM 780 CB TRP A 49 -5.122 -5.586 -17.616 1.00 11.01 C ATOM 781 CG TRP A 49 -4.913 -4.847 -16.306 1.00 35.02 C ATOM 782 CD1 TRP A 49 -5.534 -5.100 -15.111 1.00 73.21 C ATOM 783 CD2 TRP A 49 -4.021 -3.745 -16.063 1.00 3.10 C ATOM 784 NE1 TRP A 49 -5.089 -4.225 -14.155 1.00 51.11 N ATOM 785 CE2 TRP A 49 -4.163 -3.384 -14.711 1.00 54.34 C ATOM 786 CE3 TRP A 49 -3.119 -3.032 -16.859 1.00 13.43 C ATOM 787 CZ2 TRP A 49 -3.440 -2.338 -14.138 1.00 71.33 C ATOM 788 CZ3 TRP A 49 -2.402 -1.993 -16.294 1.00 13.30 C ATOM 789 CH2 TRP A 49 -2.564 -1.655 -14.943 1.00 42.42 C ATOM 0 H TRP A 49 -2.675 -5.488 -18.308 1.00 32.20 H new ATOM 0 HA TRP A 49 -4.314 -7.469 -16.907 1.00 63.03 H new ATOM 0 HB2 TRP A 49 -4.940 -4.899 -18.443 1.00 11.01 H new ATOM 0 HB3 TRP A 49 -6.164 -5.898 -17.684 1.00 11.01 H new ATOM 0 HD1 TRP A 49 -6.267 -5.876 -14.947 1.00 73.21 H new ATOM 0 HE1 TRP A 49 -5.399 -4.204 -13.183 1.00 51.11 H new ATOM 0 HE3 TRP A 49 -2.984 -3.289 -17.899 1.00 13.43 H new ATOM 0 HZ2 TRP A 49 -3.565 -2.075 -13.098 1.00 71.33 H new ATOM 0 HZ3 TRP A 49 -1.707 -1.434 -16.903 1.00 13.30 H new ATOM 0 HH2 TRP A 49 -1.988 -0.841 -14.528 1.00 42.42 H new ATOM 800 N GLY A 50 -3.821 -7.643 -20.082 1.00 70.22 N ATOM 801 CA GLY A 50 -4.074 -8.425 -21.298 1.00 54.25 C ATOM 802 C GLY A 50 -3.300 -7.894 -22.511 1.00 2.30 C ATOM 803 O GLY A 50 -2.172 -7.405 -22.364 1.00 15.44 O ATOM 0 H GLY A 50 -2.969 -7.084 -20.120 1.00 70.22 H new ATOM 0 HA2 GLY A 50 -3.797 -9.464 -21.121 1.00 54.25 H new ATOM 0 HA3 GLY A 50 -5.141 -8.412 -21.518 1.00 54.25 H new ATOM 807 N LYS A 51 -3.900 -8.022 -23.711 1.00 13.23 N ATOM 808 CA LYS A 51 -3.326 -7.512 -24.978 1.00 44.01 C ATOM 809 C LYS A 51 -3.419 -5.968 -25.030 1.00 20.01 C ATOM 810 O LYS A 51 -4.529 -5.420 -25.107 1.00 32.45 O ATOM 811 CB LYS A 51 -4.079 -8.147 -26.181 1.00 2.13 C ATOM 812 CG LYS A 51 -3.905 -9.679 -26.306 1.00 41.44 C ATOM 813 CD LYS A 51 -4.829 -10.310 -27.378 1.00 61.04 C ATOM 814 CE LYS A 51 -6.326 -10.191 -27.019 1.00 13.33 C ATOM 815 NZ LYS A 51 -7.205 -10.862 -28.008 1.00 23.21 N ATOM 0 H LYS A 51 -4.801 -8.484 -23.832 1.00 13.23 H new ATOM 0 HA LYS A 51 -2.273 -7.789 -25.032 1.00 44.01 H new ATOM 0 HB2 LYS A 51 -5.141 -7.920 -26.090 1.00 2.13 H new ATOM 0 HB3 LYS A 51 -3.731 -7.678 -27.101 1.00 2.13 H new ATOM 0 HG2 LYS A 51 -2.867 -9.902 -26.553 1.00 41.44 H new ATOM 0 HG3 LYS A 51 -4.109 -10.142 -25.341 1.00 41.44 H new ATOM 0 HD2 LYS A 51 -4.650 -9.825 -28.337 1.00 61.04 H new ATOM 0 HD3 LYS A 51 -4.571 -11.362 -27.500 1.00 61.04 H new ATOM 0 HE2 LYS A 51 -6.495 -10.626 -26.034 1.00 13.33 H new ATOM 0 HE3 LYS A 51 -6.597 -9.137 -26.953 1.00 13.33 H new ATOM 0 HZ1 LYS A 51 -8.198 -10.752 -27.720 1.00 23.21 H new ATOM 0 HZ2 LYS A 51 -7.066 -10.431 -28.944 1.00 23.21 H new ATOM 0 HZ3 LYS A 51 -6.967 -11.873 -28.054 1.00 23.21 H new ATOM 829 N THR A 52 -2.240 -5.293 -24.953 1.00 34.21 N ATOM 830 CA THR A 52 -2.111 -3.808 -24.895 1.00 31.23 C ATOM 831 C THR A 52 -2.673 -3.235 -23.552 1.00 72.24 C ATOM 832 O THR A 52 -3.314 -3.963 -22.785 1.00 72.51 O ATOM 833 CB THR A 52 -2.767 -3.119 -26.164 1.00 61.44 C ATOM 834 OG1 THR A 52 -2.330 -3.808 -27.353 1.00 72.14 O ATOM 835 CG2 THR A 52 -2.406 -1.627 -26.320 1.00 34.55 C ATOM 0 H THR A 52 -1.339 -5.771 -24.929 1.00 34.21 H new ATOM 0 HA THR A 52 -1.048 -3.567 -24.919 1.00 31.23 H new ATOM 0 HB THR A 52 -3.846 -3.181 -26.022 1.00 61.44 H new ATOM 0 HG1 THR A 52 -2.733 -3.388 -28.141 1.00 72.14 H new ATOM 0 HG21 THR A 52 -2.892 -1.226 -27.210 1.00 34.55 H new ATOM 0 HG22 THR A 52 -2.745 -1.077 -25.442 1.00 34.55 H new ATOM 0 HG23 THR A 52 -1.325 -1.522 -26.418 1.00 34.55 H new ATOM 843 N GLU A 53 -2.367 -1.952 -23.255 1.00 42.25 N ATOM 844 CA GLU A 53 -2.809 -1.248 -22.030 1.00 32.01 C ATOM 845 C GLU A 53 -2.165 -1.899 -20.784 1.00 33.52 C ATOM 846 O GLU A 53 -2.817 -2.570 -19.979 1.00 12.14 O ATOM 847 CB GLU A 53 -4.368 -1.152 -21.946 1.00 71.13 C ATOM 848 CG GLU A 53 -4.924 -0.185 -20.869 1.00 64.04 C ATOM 849 CD GLU A 53 -4.542 1.302 -21.070 1.00 43.25 C ATOM 850 OE1 GLU A 53 -4.359 1.748 -22.229 1.00 50.51 O ATOM 851 OE2 GLU A 53 -4.427 2.043 -20.067 1.00 63.43 O ATOM 0 H GLU A 53 -1.798 -1.368 -23.868 1.00 42.25 H new ATOM 0 HA GLU A 53 -2.461 -0.216 -22.070 1.00 32.01 H new ATOM 0 HB2 GLU A 53 -4.748 -0.840 -22.919 1.00 71.13 H new ATOM 0 HB3 GLU A 53 -4.765 -2.149 -21.753 1.00 71.13 H new ATOM 0 HG2 GLU A 53 -6.011 -0.267 -20.854 1.00 64.04 H new ATOM 0 HG3 GLU A 53 -4.566 -0.508 -19.891 1.00 64.04 H new ATOM 858 N GLN A 54 -0.841 -1.739 -20.706 1.00 64.23 N ATOM 859 CA GLN A 54 0.012 -2.321 -19.661 1.00 14.35 C ATOM 860 C GLN A 54 1.038 -1.266 -19.206 1.00 71.31 C ATOM 861 O GLN A 54 1.729 -0.667 -20.027 1.00 23.22 O ATOM 862 CB GLN A 54 0.701 -3.612 -20.195 1.00 33.34 C ATOM 863 CG GLN A 54 1.489 -3.439 -21.515 1.00 11.53 C ATOM 864 CD GLN A 54 2.174 -4.714 -22.016 1.00 64.55 C ATOM 865 OE1 GLN A 54 2.290 -4.932 -23.219 1.00 42.42 O ATOM 866 NE2 GLN A 54 2.677 -5.540 -21.116 1.00 43.12 N ATOM 0 H GLN A 54 -0.317 -1.187 -21.385 1.00 64.23 H new ATOM 0 HA GLN A 54 -0.588 -2.608 -18.798 1.00 14.35 H new ATOM 0 HB2 GLN A 54 1.382 -3.984 -19.430 1.00 33.34 H new ATOM 0 HB3 GLN A 54 -0.061 -4.377 -20.343 1.00 33.34 H new ATOM 0 HG2 GLN A 54 0.807 -3.081 -22.286 1.00 11.53 H new ATOM 0 HG3 GLN A 54 2.245 -2.667 -21.374 1.00 11.53 H new ATOM 0 HE21 GLN A 54 2.569 -5.339 -20.122 1.00 43.12 H new ATOM 0 HE22 GLN A 54 3.174 -6.379 -21.415 1.00 43.12 H new ATOM 875 N ARG A 55 1.099 -1.006 -17.891 1.00 21.14 N ATOM 876 CA ARG A 55 1.860 0.133 -17.311 1.00 63.22 C ATOM 877 C ARG A 55 3.029 -0.389 -16.478 1.00 61.23 C ATOM 878 O ARG A 55 2.960 -1.487 -15.958 1.00 51.12 O ATOM 879 CB ARG A 55 0.930 1.036 -16.428 1.00 0.34 C ATOM 880 CG ARG A 55 -0.015 1.972 -17.224 1.00 15.04 C ATOM 881 CD ARG A 55 -1.112 1.226 -18.027 1.00 55.55 C ATOM 882 NE ARG A 55 -1.632 2.009 -19.155 1.00 13.00 N ATOM 883 CZ ARG A 55 -1.013 2.219 -20.307 1.00 43.35 C ATOM 884 NH1 ARG A 55 0.182 1.776 -20.547 1.00 24.04 N ATOM 885 NH2 ARG A 55 -1.634 2.878 -21.222 1.00 2.45 N ATOM 0 H ARG A 55 0.624 -1.576 -17.191 1.00 21.14 H new ATOM 0 HA ARG A 55 2.247 0.739 -18.130 1.00 63.22 H new ATOM 0 HB2 ARG A 55 0.326 0.394 -15.787 1.00 0.34 H new ATOM 0 HB3 ARG A 55 1.554 1.644 -15.773 1.00 0.34 H new ATOM 0 HG2 ARG A 55 -0.494 2.663 -16.530 1.00 15.04 H new ATOM 0 HG3 ARG A 55 0.580 2.572 -17.912 1.00 15.04 H new ATOM 0 HD2 ARG A 55 -0.705 0.287 -18.401 1.00 55.55 H new ATOM 0 HD3 ARG A 55 -1.935 0.973 -17.358 1.00 55.55 H new ATOM 0 HE ARG A 55 -2.554 2.430 -19.041 1.00 13.00 H new ATOM 0 HH11 ARG A 55 0.681 1.243 -19.835 1.00 24.04 H new ATOM 0 HH12 ARG A 55 0.623 1.960 -21.448 1.00 24.04 H new ATOM 0 HH21 ARG A 55 -2.578 3.223 -21.050 1.00 2.45 H new ATOM 0 HH22 ARG A 55 -1.182 3.055 -22.119 1.00 2.45 H new ATOM 899 N GLN A 56 4.095 0.403 -16.337 1.00 3.52 N ATOM 900 CA GLN A 56 5.284 0.004 -15.548 1.00 61.41 C ATOM 901 C GLN A 56 5.473 0.931 -14.335 1.00 13.41 C ATOM 902 O GLN A 56 5.252 2.143 -14.423 1.00 44.32 O ATOM 903 CB GLN A 56 6.562 0.004 -16.421 1.00 14.22 C ATOM 904 CG GLN A 56 6.498 -0.918 -17.655 1.00 22.13 C ATOM 905 CD GLN A 56 7.819 -1.017 -18.425 1.00 13.44 C ATOM 906 OE1 GLN A 56 8.617 -0.080 -18.450 1.00 41.34 O ATOM 907 NE2 GLN A 56 8.060 -2.144 -19.069 1.00 73.33 N ATOM 0 H GLN A 56 4.168 1.330 -16.757 1.00 3.52 H new ATOM 0 HA GLN A 56 5.114 -1.011 -15.189 1.00 61.41 H new ATOM 0 HB2 GLN A 56 6.758 1.023 -16.755 1.00 14.22 H new ATOM 0 HB3 GLN A 56 7.408 -0.297 -15.803 1.00 14.22 H new ATOM 0 HG2 GLN A 56 6.199 -1.916 -17.335 1.00 22.13 H new ATOM 0 HG3 GLN A 56 5.722 -0.554 -18.329 1.00 22.13 H new ATOM 0 HE21 GLN A 56 7.383 -2.906 -19.033 1.00 73.33 H new ATOM 0 HE22 GLN A 56 8.923 -2.252 -19.602 1.00 73.33 H new ATOM 916 N ALA A 57 5.901 0.341 -13.206 1.00 3.35 N ATOM 917 CA ALA A 57 6.228 1.078 -11.976 1.00 41.02 C ATOM 918 C ALA A 57 7.505 0.500 -11.336 1.00 75.25 C ATOM 919 O ALA A 57 7.543 -0.677 -10.952 1.00 54.01 O ATOM 920 CB ALA A 57 5.054 1.038 -10.987 1.00 25.32 C ATOM 0 H ALA A 57 6.030 -0.667 -13.122 1.00 3.35 H new ATOM 0 HA ALA A 57 6.411 2.121 -12.234 1.00 41.02 H new ATOM 0 HB1 ALA A 57 5.319 1.590 -10.085 1.00 25.32 H new ATOM 0 HB2 ALA A 57 4.176 1.493 -11.446 1.00 25.32 H new ATOM 0 HB3 ALA A 57 4.832 0.003 -10.727 1.00 25.32 H new ATOM 926 N GLY A 58 8.542 1.342 -11.227 1.00 5.02 N ATOM 927 CA GLY A 58 9.837 0.941 -10.690 1.00 60.52 C ATOM 928 C GLY A 58 9.944 1.163 -9.193 1.00 51.11 C ATOM 929 O GLY A 58 9.438 2.170 -8.675 1.00 12.11 O ATOM 0 H GLY A 58 8.500 2.321 -11.511 1.00 5.02 H new ATOM 0 HA2 GLY A 58 10.006 -0.113 -10.910 1.00 60.52 H new ATOM 0 HA3 GLY A 58 10.624 1.502 -11.194 1.00 60.52 H new ATOM 933 N ILE A 59 10.609 0.233 -8.490 1.00 4.45 N ATOM 934 CA ILE A 59 10.806 0.331 -7.035 1.00 75.51 C ATOM 935 C ILE A 59 11.797 1.477 -6.729 1.00 12.13 C ATOM 936 O ILE A 59 12.927 1.469 -7.227 1.00 3.04 O ATOM 937 CB ILE A 59 11.328 -1.010 -6.367 1.00 41.32 C ATOM 938 CG1 ILE A 59 10.364 -2.233 -6.626 1.00 43.12 C ATOM 939 CG2 ILE A 59 11.538 -0.801 -4.839 1.00 73.52 C ATOM 940 CD1 ILE A 59 10.408 -2.837 -8.027 1.00 33.14 C ATOM 0 H ILE A 59 11.022 -0.600 -8.909 1.00 4.45 H new ATOM 0 HA ILE A 59 9.826 0.531 -6.602 1.00 75.51 H new ATOM 0 HB ILE A 59 12.281 -1.253 -6.837 1.00 41.32 H new ATOM 0 HG12 ILE A 59 10.603 -3.017 -5.907 1.00 43.12 H new ATOM 0 HG13 ILE A 59 9.342 -1.914 -6.422 1.00 43.12 H new ATOM 0 HG21 ILE A 59 11.896 -1.728 -4.391 1.00 73.52 H new ATOM 0 HG22 ILE A 59 12.272 -0.012 -4.677 1.00 73.52 H new ATOM 0 HG23 ILE A 59 10.592 -0.517 -4.377 1.00 73.52 H new ATOM 0 HD11 ILE A 59 9.705 -3.668 -8.087 1.00 33.14 H new ATOM 0 HD12 ILE A 59 10.135 -2.077 -8.759 1.00 33.14 H new ATOM 0 HD13 ILE A 59 11.415 -3.197 -8.236 1.00 33.14 H new ATOM 952 N VAL A 60 11.362 2.466 -5.929 1.00 22.55 N ATOM 953 CA VAL A 60 12.214 3.608 -5.533 1.00 30.14 C ATOM 954 C VAL A 60 13.087 3.206 -4.324 1.00 23.03 C ATOM 955 O VAL A 60 14.300 3.451 -4.295 1.00 72.31 O ATOM 956 CB VAL A 60 11.348 4.875 -5.168 1.00 34.44 C ATOM 957 CG1 VAL A 60 12.235 6.124 -4.907 1.00 65.20 C ATOM 958 CG2 VAL A 60 10.286 5.162 -6.262 1.00 35.22 C ATOM 0 H VAL A 60 10.420 2.500 -5.540 1.00 22.55 H new ATOM 0 HA VAL A 60 12.849 3.868 -6.380 1.00 30.14 H new ATOM 0 HB VAL A 60 10.822 4.651 -4.240 1.00 34.44 H new ATOM 0 HG11 VAL A 60 11.601 6.975 -4.659 1.00 65.20 H new ATOM 0 HG12 VAL A 60 12.913 5.922 -4.077 1.00 65.20 H new ATOM 0 HG13 VAL A 60 12.815 6.352 -5.802 1.00 65.20 H new ATOM 0 HG21 VAL A 60 9.704 6.041 -5.983 1.00 35.22 H new ATOM 0 HG22 VAL A 60 10.784 5.344 -7.214 1.00 35.22 H new ATOM 0 HG23 VAL A 60 9.622 4.303 -6.359 1.00 35.22 H new ATOM 968 N ALA A 61 12.437 2.564 -3.339 1.00 11.51 N ATOM 969 CA ALA A 61 13.084 2.075 -2.110 1.00 11.42 C ATOM 970 C ALA A 61 12.261 0.932 -1.490 1.00 55.44 C ATOM 971 O ALA A 61 11.024 0.944 -1.563 1.00 33.13 O ATOM 972 CB ALA A 61 13.259 3.220 -1.100 1.00 34.24 C ATOM 0 H ALA A 61 11.437 2.368 -3.374 1.00 11.51 H new ATOM 0 HA ALA A 61 14.071 1.691 -2.369 1.00 11.42 H new ATOM 0 HB1 ALA A 61 13.739 2.840 -0.198 1.00 34.24 H new ATOM 0 HB2 ALA A 61 13.880 4.001 -1.539 1.00 34.24 H new ATOM 0 HB3 ALA A 61 12.283 3.633 -0.845 1.00 34.24 H new ATOM 978 N ILE A 62 12.961 -0.040 -0.885 1.00 74.41 N ATOM 979 CA ILE A 62 12.330 -1.197 -0.213 1.00 11.41 C ATOM 980 C ILE A 62 13.267 -1.802 0.866 1.00 45.42 C ATOM 981 O ILE A 62 14.496 -1.756 0.737 1.00 22.24 O ATOM 982 CB ILE A 62 11.900 -2.321 -1.248 1.00 40.23 C ATOM 983 CG1 ILE A 62 11.191 -3.516 -0.518 1.00 74.41 C ATOM 984 CG2 ILE A 62 13.109 -2.805 -2.093 1.00 40.40 C ATOM 985 CD1 ILE A 62 10.730 -4.641 -1.412 1.00 0.05 C ATOM 0 H ILE A 62 13.980 -0.050 -0.845 1.00 74.41 H new ATOM 0 HA ILE A 62 11.430 -0.823 0.274 1.00 11.41 H new ATOM 0 HB ILE A 62 11.180 -1.881 -1.938 1.00 40.23 H new ATOM 0 HG12 ILE A 62 11.876 -3.923 0.225 1.00 74.41 H new ATOM 0 HG13 ILE A 62 10.328 -3.128 0.023 1.00 74.41 H new ATOM 0 HG21 ILE A 62 12.780 -3.574 -2.791 1.00 40.40 H new ATOM 0 HG22 ILE A 62 13.525 -1.964 -2.649 1.00 40.40 H new ATOM 0 HG23 ILE A 62 13.873 -3.217 -1.433 1.00 40.40 H new ATOM 0 HD11 ILE A 62 10.254 -5.414 -0.808 1.00 0.05 H new ATOM 0 HD12 ILE A 62 10.015 -4.258 -2.140 1.00 0.05 H new ATOM 0 HD13 ILE A 62 11.587 -5.065 -1.934 1.00 0.05 H new ATOM 997 N ARG A 63 12.659 -2.353 1.929 1.00 22.52 N ATOM 998 CA ARG A 63 13.352 -3.188 2.926 1.00 34.30 C ATOM 999 C ARG A 63 12.303 -4.095 3.602 1.00 13.14 C ATOM 1000 O ARG A 63 11.540 -3.620 4.454 1.00 43.40 O ATOM 1001 CB ARG A 63 14.139 -2.310 3.960 1.00 73.02 C ATOM 1002 CG ARG A 63 15.119 -3.074 4.901 1.00 44.24 C ATOM 1003 CD ARG A 63 14.460 -3.657 6.169 1.00 12.15 C ATOM 1004 NE ARG A 63 15.392 -4.501 6.938 1.00 50.22 N ATOM 1005 CZ ARG A 63 15.222 -4.893 8.183 1.00 13.33 C ATOM 1006 NH1 ARG A 63 14.199 -4.512 8.881 1.00 4.31 N ATOM 1007 NH2 ARG A 63 16.102 -5.660 8.728 1.00 12.02 N ATOM 0 H ARG A 63 11.665 -2.231 2.123 1.00 22.52 H new ATOM 0 HA ARG A 63 14.102 -3.811 2.439 1.00 34.30 H new ATOM 0 HB2 ARG A 63 14.706 -1.558 3.411 1.00 73.02 H new ATOM 0 HB3 ARG A 63 13.417 -1.776 4.577 1.00 73.02 H new ATOM 0 HG2 ARG A 63 15.582 -3.886 4.341 1.00 44.24 H new ATOM 0 HG3 ARG A 63 15.919 -2.396 5.200 1.00 44.24 H new ATOM 0 HD2 ARG A 63 14.104 -2.842 6.800 1.00 12.15 H new ATOM 0 HD3 ARG A 63 13.587 -4.246 5.886 1.00 12.15 H new ATOM 0 HE ARG A 63 16.242 -4.808 6.465 1.00 50.22 H new ATOM 0 HH11 ARG A 63 13.501 -3.893 8.468 1.00 4.31 H new ATOM 0 HH12 ARG A 63 14.091 -4.831 9.844 1.00 4.31 H new ATOM 0 HH21 ARG A 63 16.920 -5.957 8.195 1.00 12.02 H new ATOM 0 HH22 ARG A 63 15.981 -5.970 9.692 1.00 12.02 H new ATOM 1021 N ALA A 64 12.283 -5.387 3.187 1.00 23.04 N ATOM 1022 CA ALA A 64 11.379 -6.449 3.708 1.00 44.32 C ATOM 1023 C ALA A 64 9.866 -6.065 3.668 1.00 64.14 C ATOM 1024 O ALA A 64 9.128 -6.512 2.781 1.00 63.53 O ATOM 1025 CB ALA A 64 11.815 -6.894 5.116 1.00 1.14 C ATOM 0 H ALA A 64 12.912 -5.730 2.461 1.00 23.04 H new ATOM 0 HA ALA A 64 11.478 -7.295 3.028 1.00 44.32 H new ATOM 0 HB1 ALA A 64 11.141 -7.670 5.477 1.00 1.14 H new ATOM 0 HB2 ALA A 64 12.831 -7.286 5.075 1.00 1.14 H new ATOM 0 HB3 ALA A 64 11.782 -6.041 5.794 1.00 1.14 H new ATOM 1031 N TYR A 65 9.418 -5.230 4.630 1.00 1.23 N ATOM 1032 CA TYR A 65 8.004 -4.778 4.732 1.00 44.52 C ATOM 1033 C TYR A 65 7.880 -3.329 5.283 1.00 75.12 C ATOM 1034 O TYR A 65 6.850 -2.685 5.081 1.00 31.00 O ATOM 1035 CB TYR A 65 7.197 -5.772 5.618 1.00 34.14 C ATOM 1036 CG TYR A 65 7.725 -5.942 7.062 1.00 33.23 C ATOM 1037 CD1 TYR A 65 8.676 -6.916 7.385 1.00 41.12 C ATOM 1038 CD2 TYR A 65 7.262 -5.135 8.103 1.00 54.31 C ATOM 1039 CE1 TYR A 65 9.138 -7.068 8.680 1.00 52.53 C ATOM 1040 CE2 TYR A 65 7.723 -5.280 9.395 1.00 73.13 C ATOM 1041 CZ TYR A 65 8.659 -6.247 9.683 1.00 71.52 C ATOM 1042 OH TYR A 65 9.122 -6.395 10.975 1.00 51.30 O ATOM 0 H TYR A 65 10.021 -4.848 5.359 1.00 1.23 H new ATOM 0 HA TYR A 65 7.589 -4.766 3.724 1.00 44.52 H new ATOM 0 HB2 TYR A 65 6.161 -5.435 5.664 1.00 34.14 H new ATOM 0 HB3 TYR A 65 7.194 -6.748 5.132 1.00 34.14 H new ATOM 0 HD1 TYR A 65 9.057 -7.562 6.608 1.00 41.12 H new ATOM 0 HD2 TYR A 65 6.523 -4.377 7.891 1.00 54.31 H new ATOM 0 HE1 TYR A 65 9.872 -7.827 8.907 1.00 52.53 H new ATOM 0 HE2 TYR A 65 7.350 -4.637 10.178 1.00 73.13 H new ATOM 0 HH TYR A 65 8.684 -5.739 11.557 1.00 51.30 H new ATOM 1052 N SER A 66 8.943 -2.811 5.947 1.00 24.24 N ATOM 1053 CA SER A 66 8.892 -1.505 6.685 1.00 53.25 C ATOM 1054 C SER A 66 8.896 -0.258 5.773 1.00 52.12 C ATOM 1055 O SER A 66 8.882 0.861 6.285 1.00 34.25 O ATOM 1056 CB SER A 66 10.038 -1.422 7.721 1.00 44.31 C ATOM 1057 OG SER A 66 9.875 -2.413 8.725 1.00 52.31 O ATOM 0 H SER A 66 9.852 -3.272 5.992 1.00 24.24 H new ATOM 0 HA SER A 66 7.929 -1.493 7.196 1.00 53.25 H new ATOM 0 HB2 SER A 66 10.998 -1.556 7.222 1.00 44.31 H new ATOM 0 HB3 SER A 66 10.052 -0.432 8.178 1.00 44.31 H new ATOM 0 HG SER A 66 10.609 -2.348 9.371 1.00 52.31 H new ATOM 1063 N PHE A 67 8.908 -0.480 4.445 1.00 45.13 N ATOM 1064 CA PHE A 67 8.704 0.552 3.400 1.00 32.32 C ATOM 1065 C PHE A 67 8.910 -0.089 2.014 1.00 30.22 C ATOM 1066 O PHE A 67 9.831 -0.894 1.823 1.00 44.15 O ATOM 1067 CB PHE A 67 9.596 1.834 3.551 1.00 13.24 C ATOM 1068 CG PHE A 67 11.113 1.622 3.492 1.00 23.23 C ATOM 1069 CD1 PHE A 67 11.841 1.289 4.638 1.00 4.55 C ATOM 1070 CD2 PHE A 67 11.816 1.774 2.296 1.00 50.12 C ATOM 1071 CE1 PHE A 67 13.209 1.112 4.588 1.00 63.50 C ATOM 1072 CE2 PHE A 67 13.181 1.599 2.251 1.00 14.31 C ATOM 1073 CZ PHE A 67 13.878 1.268 3.390 1.00 44.31 C ATOM 0 H PHE A 67 9.064 -1.409 4.054 1.00 45.13 H new ATOM 0 HA PHE A 67 7.682 0.911 3.520 1.00 32.32 H new ATOM 0 HB2 PHE A 67 9.319 2.537 2.765 1.00 13.24 H new ATOM 0 HB3 PHE A 67 9.354 2.308 4.502 1.00 13.24 H new ATOM 0 HD1 PHE A 67 11.324 1.168 5.579 1.00 4.55 H new ATOM 0 HD2 PHE A 67 11.282 2.032 1.393 1.00 50.12 H new ATOM 0 HE1 PHE A 67 13.755 0.852 5.483 1.00 63.50 H new ATOM 0 HE2 PHE A 67 13.708 1.722 1.316 1.00 14.31 H new ATOM 0 HZ PHE A 67 14.948 1.130 3.347 1.00 44.31 H new ATOM 1083 N ILE A 68 8.011 0.232 1.082 1.00 52.32 N ATOM 1084 CA ILE A 68 8.134 -0.146 -0.329 1.00 52.43 C ATOM 1085 C ILE A 68 7.418 0.909 -1.197 1.00 14.23 C ATOM 1086 O ILE A 68 6.302 1.321 -0.889 1.00 30.41 O ATOM 1087 CB ILE A 68 7.571 -1.596 -0.594 1.00 20.14 C ATOM 1088 CG1 ILE A 68 7.857 -2.063 -2.057 1.00 33.21 C ATOM 1089 CG2 ILE A 68 6.062 -1.689 -0.254 1.00 61.10 C ATOM 1090 CD1 ILE A 68 7.392 -3.475 -2.362 1.00 53.24 C ATOM 0 H ILE A 68 7.167 0.768 1.287 1.00 52.32 H new ATOM 0 HA ILE A 68 9.190 -0.173 -0.599 1.00 52.43 H new ATOM 0 HB ILE A 68 8.099 -2.277 0.074 1.00 20.14 H new ATOM 0 HG12 ILE A 68 7.370 -1.375 -2.748 1.00 33.21 H new ATOM 0 HG13 ILE A 68 8.929 -1.997 -2.244 1.00 33.21 H new ATOM 0 HG21 ILE A 68 5.707 -2.701 -0.448 1.00 61.10 H new ATOM 0 HG22 ILE A 68 5.910 -1.447 0.798 1.00 61.10 H new ATOM 0 HG23 ILE A 68 5.506 -0.984 -0.872 1.00 61.10 H new ATOM 0 HD11 ILE A 68 7.628 -3.720 -3.397 1.00 53.24 H new ATOM 0 HD12 ILE A 68 7.898 -4.176 -1.698 1.00 53.24 H new ATOM 0 HD13 ILE A 68 6.315 -3.544 -2.210 1.00 53.24 H new ATOM 1102 N ARG A 69 8.081 1.376 -2.264 1.00 51.41 N ATOM 1103 CA ARG A 69 7.557 2.465 -3.121 1.00 25.14 C ATOM 1104 C ARG A 69 7.612 2.058 -4.600 1.00 74.12 C ATOM 1105 O ARG A 69 8.647 1.592 -5.065 1.00 54.24 O ATOM 1106 CB ARG A 69 8.369 3.784 -2.925 1.00 43.12 C ATOM 1107 CG ARG A 69 8.313 4.419 -1.509 1.00 33.01 C ATOM 1108 CD ARG A 69 9.418 3.932 -0.549 1.00 23.31 C ATOM 1109 NE ARG A 69 9.325 4.605 0.761 1.00 41.42 N ATOM 1110 CZ ARG A 69 10.312 5.204 1.396 1.00 22.31 C ATOM 1111 NH1 ARG A 69 11.508 5.260 0.900 1.00 41.33 N ATOM 1112 NH2 ARG A 69 10.072 5.772 2.530 1.00 25.50 N ATOM 0 H ARG A 69 8.989 1.018 -2.561 1.00 51.41 H new ATOM 0 HA ARG A 69 6.523 2.642 -2.826 1.00 25.14 H new ATOM 0 HB2 ARG A 69 9.412 3.584 -3.170 1.00 43.12 H new ATOM 0 HB3 ARG A 69 8.008 4.519 -3.645 1.00 43.12 H new ATOM 0 HG2 ARG A 69 8.385 5.502 -1.607 1.00 33.01 H new ATOM 0 HG3 ARG A 69 7.341 4.203 -1.065 1.00 33.01 H new ATOM 0 HD2 ARG A 69 9.335 2.854 -0.413 1.00 23.31 H new ATOM 0 HD3 ARG A 69 10.396 4.123 -0.990 1.00 23.31 H new ATOM 0 HE ARG A 69 8.413 4.607 1.217 1.00 41.42 H new ATOM 0 HH11 ARG A 69 11.705 4.833 -0.005 1.00 41.33 H new ATOM 0 HH12 ARG A 69 12.252 5.731 1.415 1.00 41.33 H new ATOM 0 HH21 ARG A 69 9.130 5.753 2.921 1.00 25.50 H new ATOM 0 HH22 ARG A 69 10.824 6.240 3.035 1.00 25.50 H new ATOM 1126 N PHE A 70 6.502 2.237 -5.331 1.00 62.33 N ATOM 1127 CA PHE A 70 6.472 2.058 -6.802 1.00 5.12 C ATOM 1128 C PHE A 70 6.124 3.393 -7.487 1.00 41.30 C ATOM 1129 O PHE A 70 5.037 3.933 -7.267 1.00 42.33 O ATOM 1130 CB PHE A 70 5.422 0.995 -7.207 1.00 15.01 C ATOM 1131 CG PHE A 70 5.720 -0.417 -6.719 1.00 34.50 C ATOM 1132 CD1 PHE A 70 5.291 -0.846 -5.466 1.00 20.03 C ATOM 1133 CD2 PHE A 70 6.432 -1.317 -7.518 1.00 32.14 C ATOM 1134 CE1 PHE A 70 5.564 -2.122 -5.028 1.00 50.41 C ATOM 1135 CE2 PHE A 70 6.700 -2.595 -7.075 1.00 40.33 C ATOM 1136 CZ PHE A 70 6.268 -2.997 -5.833 1.00 12.31 C ATOM 0 H PHE A 70 5.604 2.508 -4.930 1.00 62.33 H new ATOM 0 HA PHE A 70 7.459 1.722 -7.121 1.00 5.12 H new ATOM 0 HB2 PHE A 70 4.449 1.300 -6.821 1.00 15.01 H new ATOM 0 HB3 PHE A 70 5.342 0.979 -8.294 1.00 15.01 H new ATOM 0 HD1 PHE A 70 4.738 -0.170 -4.831 1.00 20.03 H new ATOM 0 HD2 PHE A 70 6.776 -1.007 -8.494 1.00 32.14 H new ATOM 0 HE1 PHE A 70 5.227 -2.440 -4.052 1.00 50.41 H new ATOM 0 HE2 PHE A 70 7.249 -3.280 -7.704 1.00 40.33 H new ATOM 0 HZ PHE A 70 6.479 -3.998 -5.486 1.00 12.31 H new ATOM 1146 N HIS A 71 7.036 3.895 -8.341 1.00 21.35 N ATOM 1147 CA HIS A 71 6.825 5.119 -9.141 1.00 42.24 C ATOM 1148 C HIS A 71 6.610 4.754 -10.621 1.00 34.25 C ATOM 1149 O HIS A 71 7.366 3.970 -11.186 1.00 72.31 O ATOM 1150 CB HIS A 71 8.027 6.085 -8.997 1.00 4.12 C ATOM 1151 CG HIS A 71 7.909 7.325 -9.846 1.00 32.34 C ATOM 1152 ND1 HIS A 71 8.592 7.492 -11.032 1.00 33.14 N ATOM 1153 CD2 HIS A 71 7.136 8.424 -9.708 1.00 22.21 C ATOM 1154 CE1 HIS A 71 8.245 8.631 -11.581 1.00 21.12 C ATOM 1155 NE2 HIS A 71 7.368 9.217 -10.802 1.00 2.44 N ATOM 0 H HIS A 71 7.946 3.461 -8.497 1.00 21.35 H new ATOM 0 HA HIS A 71 5.934 5.624 -8.767 1.00 42.24 H new ATOM 0 HB2 HIS A 71 8.124 6.378 -7.952 1.00 4.12 H new ATOM 0 HB3 HIS A 71 8.942 5.556 -9.266 1.00 4.12 H new ATOM 0 HD2 HIS A 71 6.463 8.638 -8.891 1.00 22.21 H new ATOM 0 HE1 HIS A 71 8.618 9.021 -12.517 1.00 21.12 H new ATOM 0 HE2 HIS A 71 6.928 10.120 -10.981 1.00 2.44 H new ATOM 1164 N TRP A 72 5.610 5.386 -11.241 1.00 64.33 N ATOM 1165 CA TRP A 72 5.187 5.088 -12.623 1.00 4.25 C ATOM 1166 C TRP A 72 6.215 5.614 -13.656 1.00 21.30 C ATOM 1167 O TRP A 72 6.542 6.804 -13.661 1.00 43.13 O ATOM 1168 CB TRP A 72 3.792 5.717 -12.883 1.00 75.31 C ATOM 1169 CG TRP A 72 2.795 5.440 -11.777 1.00 63.53 C ATOM 1170 CD1 TRP A 72 2.468 6.271 -10.738 1.00 50.35 C ATOM 1171 CD2 TRP A 72 2.021 4.248 -11.592 1.00 24.54 C ATOM 1172 NE1 TRP A 72 1.547 5.671 -9.926 1.00 63.10 N ATOM 1173 CE2 TRP A 72 1.250 4.432 -10.429 1.00 44.24 C ATOM 1174 CE3 TRP A 72 1.902 3.049 -12.303 1.00 65.41 C ATOM 1175 CZ2 TRP A 72 0.377 3.459 -9.956 1.00 2.32 C ATOM 1176 CZ3 TRP A 72 1.029 2.084 -11.833 1.00 10.53 C ATOM 1177 CH2 TRP A 72 0.274 2.294 -10.669 1.00 13.22 C ATOM 0 H TRP A 72 5.063 6.125 -10.800 1.00 64.33 H new ATOM 0 HA TRP A 72 5.128 4.006 -12.740 1.00 4.25 H new ATOM 0 HB2 TRP A 72 3.903 6.795 -13.001 1.00 75.31 H new ATOM 0 HB3 TRP A 72 3.397 5.333 -13.823 1.00 75.31 H new ATOM 0 HD1 TRP A 72 2.879 7.258 -10.583 1.00 50.35 H new ATOM 0 HE1 TRP A 72 1.146 6.080 -9.082 1.00 63.10 H new ATOM 0 HE3 TRP A 72 2.479 2.880 -13.200 1.00 65.41 H new ATOM 0 HZ2 TRP A 72 -0.200 3.616 -9.057 1.00 2.32 H new ATOM 0 HZ3 TRP A 72 0.927 1.153 -12.371 1.00 10.53 H new ATOM 0 HH2 TRP A 72 -0.401 1.523 -10.329 1.00 13.22 H new ATOM 1188 N LEU A 73 6.720 4.713 -14.522 1.00 21.21 N ATOM 1189 CA LEU A 73 7.593 5.085 -15.665 1.00 0.12 C ATOM 1190 C LEU A 73 6.784 5.826 -16.756 1.00 12.01 C ATOM 1191 O LEU A 73 7.344 6.587 -17.556 1.00 50.13 O ATOM 1192 CB LEU A 73 8.302 3.828 -16.250 1.00 74.32 C ATOM 1193 CG LEU A 73 9.518 3.282 -15.433 1.00 4.30 C ATOM 1194 CD1 LEU A 73 10.580 4.379 -15.206 1.00 41.31 C ATOM 1195 CD2 LEU A 73 9.079 2.649 -14.103 1.00 41.43 C ATOM 0 H LEU A 73 6.539 3.712 -14.454 1.00 21.21 H new ATOM 0 HA LEU A 73 8.363 5.765 -15.299 1.00 0.12 H new ATOM 0 HB2 LEU A 73 7.565 3.030 -16.343 1.00 74.32 H new ATOM 0 HB3 LEU A 73 8.644 4.065 -17.258 1.00 74.32 H new ATOM 0 HG LEU A 73 9.975 2.493 -16.030 1.00 4.30 H new ATOM 0 HD11 LEU A 73 11.412 3.967 -14.635 1.00 41.31 H new ATOM 0 HD12 LEU A 73 10.943 4.739 -16.169 1.00 41.31 H new ATOM 0 HD13 LEU A 73 10.136 5.207 -14.654 1.00 41.31 H new ATOM 0 HD21 LEU A 73 9.955 2.283 -13.568 1.00 41.43 H new ATOM 0 HD22 LEU A 73 8.569 3.396 -13.495 1.00 41.43 H new ATOM 0 HD23 LEU A 73 8.402 1.818 -14.301 1.00 41.43 H new ATOM 1207 N ASP A 74 5.468 5.561 -16.780 1.00 11.24 N ATOM 1208 CA ASP A 74 4.493 6.349 -17.559 1.00 43.02 C ATOM 1209 C ASP A 74 4.441 7.809 -17.028 1.00 42.31 C ATOM 1210 O ASP A 74 4.476 8.770 -17.808 1.00 13.02 O ATOM 1211 CB ASP A 74 3.085 5.704 -17.442 1.00 74.40 C ATOM 1212 CG ASP A 74 3.085 4.201 -17.777 1.00 55.11 C ATOM 1213 OD1 ASP A 74 3.509 3.393 -16.919 1.00 31.33 O ATOM 1214 OD2 ASP A 74 2.673 3.822 -18.891 1.00 71.05 O ATOM 0 H ASP A 74 5.047 4.792 -16.259 1.00 11.24 H new ATOM 0 HA ASP A 74 4.802 6.360 -18.604 1.00 43.02 H new ATOM 0 HB2 ASP A 74 2.709 5.845 -16.429 1.00 74.40 H new ATOM 0 HB3 ASP A 74 2.397 6.220 -18.112 1.00 74.40 H new ATOM 1219 N ASP A 75 4.389 7.915 -15.673 1.00 10.34 N ATOM 1220 CA ASP A 75 4.222 9.173 -14.915 1.00 41.40 C ATOM 1221 C ASP A 75 2.988 9.970 -15.447 1.00 64.40 C ATOM 1222 O ASP A 75 1.861 9.561 -15.158 1.00 64.04 O ATOM 1223 CB ASP A 75 5.551 9.978 -14.902 1.00 63.21 C ATOM 1224 CG ASP A 75 5.526 11.161 -13.919 1.00 53.32 C ATOM 1225 OD1 ASP A 75 5.771 10.941 -12.711 1.00 22.23 O ATOM 1226 OD2 ASP A 75 5.264 12.309 -14.344 1.00 11.00 O ATOM 0 H ASP A 75 4.465 7.100 -15.065 1.00 10.34 H new ATOM 0 HA ASP A 75 4.001 8.954 -13.870 1.00 41.40 H new ATOM 0 HB2 ASP A 75 6.371 9.311 -14.638 1.00 63.21 H new ATOM 0 HB3 ASP A 75 5.754 10.351 -15.906 1.00 63.21 H new ATOM 1231 N GLU A 76 3.235 11.057 -16.241 1.00 15.22 N ATOM 1232 CA GLU A 76 2.230 11.800 -17.056 1.00 73.50 C ATOM 1233 C GLU A 76 0.924 12.198 -16.294 1.00 51.53 C ATOM 1234 O GLU A 76 0.732 13.368 -15.947 1.00 12.12 O ATOM 1235 CB GLU A 76 1.917 11.012 -18.361 1.00 63.05 C ATOM 1236 CG GLU A 76 0.972 11.739 -19.344 1.00 22.23 C ATOM 1237 CD GLU A 76 0.859 11.046 -20.713 1.00 14.03 C ATOM 1238 OE1 GLU A 76 0.056 10.103 -20.854 1.00 2.03 O ATOM 1239 OE2 GLU A 76 1.577 11.441 -21.654 1.00 14.03 O ATOM 0 H GLU A 76 4.172 11.450 -16.332 1.00 15.22 H new ATOM 0 HA GLU A 76 2.692 12.755 -17.304 1.00 73.50 H new ATOM 0 HB2 GLU A 76 2.855 10.796 -18.873 1.00 63.05 H new ATOM 0 HB3 GLU A 76 1.472 10.054 -18.093 1.00 63.05 H new ATOM 0 HG2 GLU A 76 -0.020 11.808 -18.898 1.00 22.23 H new ATOM 0 HG3 GLU A 76 1.328 12.759 -19.490 1.00 22.23 H new ATOM 1246 N ASN A 77 0.044 11.205 -16.058 1.00 72.12 N ATOM 1247 CA ASN A 77 -1.243 11.376 -15.333 1.00 53.20 C ATOM 1248 C ASN A 77 -1.035 11.844 -13.873 1.00 73.31 C ATOM 1249 O ASN A 77 0.018 11.594 -13.267 1.00 25.42 O ATOM 1250 CB ASN A 77 -2.025 10.034 -15.326 1.00 24.10 C ATOM 1251 CG ASN A 77 -2.255 9.474 -16.727 1.00 73.42 C ATOM 1252 OD1 ASN A 77 -1.448 8.713 -17.245 1.00 21.41 O ATOM 1253 ND2 ASN A 77 -3.359 9.839 -17.343 1.00 32.32 N ATOM 0 H ASN A 77 0.204 10.246 -16.367 1.00 72.12 H new ATOM 0 HA ASN A 77 -1.808 12.146 -15.857 1.00 53.20 H new ATOM 0 HB2 ASN A 77 -1.476 9.302 -14.733 1.00 24.10 H new ATOM 0 HB3 ASN A 77 -2.988 10.183 -14.837 1.00 24.10 H new ATOM 0 HD21 ASN A 77 -3.562 9.486 -18.278 1.00 32.32 H new ATOM 0 HD22 ASN A 77 -4.012 10.475 -16.885 1.00 32.32 H new ATOM 1260 N GLU A 78 -2.057 12.517 -13.314 1.00 13.44 N ATOM 1261 CA GLU A 78 -2.095 12.867 -11.880 1.00 12.24 C ATOM 1262 C GLU A 78 -2.253 11.581 -11.035 1.00 71.13 C ATOM 1263 O GLU A 78 -3.374 11.128 -10.771 1.00 1.12 O ATOM 1264 CB GLU A 78 -3.249 13.862 -11.596 1.00 14.15 C ATOM 1265 CG GLU A 78 -3.152 15.188 -12.374 1.00 64.31 C ATOM 1266 CD GLU A 78 -4.295 16.158 -12.041 1.00 50.22 C ATOM 1267 OE1 GLU A 78 -4.260 16.764 -10.950 1.00 72.53 O ATOM 1268 OE2 GLU A 78 -5.228 16.317 -12.860 1.00 5.54 O ATOM 0 H GLU A 78 -2.874 12.832 -13.837 1.00 13.44 H new ATOM 0 HA GLU A 78 -1.159 13.353 -11.605 1.00 12.24 H new ATOM 0 HB2 GLU A 78 -4.196 13.380 -11.840 1.00 14.15 H new ATOM 0 HB3 GLU A 78 -3.269 14.082 -10.529 1.00 14.15 H new ATOM 0 HG2 GLU A 78 -2.199 15.667 -12.150 1.00 64.31 H new ATOM 0 HG3 GLU A 78 -3.160 14.978 -13.444 1.00 64.31 H new ATOM 1275 N ARG A 79 -1.117 10.986 -10.641 1.00 70.40 N ATOM 1276 CA ARG A 79 -1.089 9.630 -10.048 1.00 15.20 C ATOM 1277 C ARG A 79 0.145 9.450 -9.125 1.00 71.33 C ATOM 1278 O ARG A 79 0.120 8.632 -8.194 1.00 30.44 O ATOM 1279 CB ARG A 79 -1.117 8.583 -11.206 1.00 61.12 C ATOM 1280 CG ARG A 79 -1.400 7.125 -10.778 1.00 54.24 C ATOM 1281 CD ARG A 79 -1.624 6.191 -11.988 1.00 30.32 C ATOM 1282 NE ARG A 79 -0.460 6.148 -12.901 1.00 24.34 N ATOM 1283 CZ ARG A 79 -0.505 5.840 -14.184 1.00 62.44 C ATOM 1284 NH1 ARG A 79 -1.635 5.613 -14.788 1.00 62.43 N ATOM 1285 NH2 ARG A 79 0.593 5.781 -14.865 1.00 14.31 N ATOM 0 H ARG A 79 -0.198 11.421 -10.721 1.00 70.40 H new ATOM 0 HA ARG A 79 -1.965 9.481 -9.416 1.00 15.20 H new ATOM 0 HB2 ARG A 79 -1.876 8.885 -11.927 1.00 61.12 H new ATOM 0 HB3 ARG A 79 -0.157 8.612 -11.722 1.00 61.12 H new ATOM 0 HG2 ARG A 79 -0.564 6.754 -10.186 1.00 54.24 H new ATOM 0 HG3 ARG A 79 -2.281 7.102 -10.136 1.00 54.24 H new ATOM 0 HD2 ARG A 79 -1.837 5.184 -11.630 1.00 30.32 H new ATOM 0 HD3 ARG A 79 -2.502 6.524 -12.541 1.00 30.32 H new ATOM 0 HE ARG A 79 0.453 6.375 -12.506 1.00 24.34 H new ATOM 0 HH11 ARG A 79 -2.511 5.671 -14.269 1.00 62.43 H new ATOM 0 HH12 ARG A 79 -1.644 5.377 -15.780 1.00 62.43 H new ATOM 0 HH21 ARG A 79 1.486 5.972 -14.410 1.00 14.31 H new ATOM 0 HH22 ARG A 79 0.566 5.544 -15.857 1.00 14.31 H new ATOM 1299 N ASP A 80 1.219 10.223 -9.421 1.00 52.40 N ATOM 1300 CA ASP A 80 2.418 10.385 -8.558 1.00 63.05 C ATOM 1301 C ASP A 80 3.153 9.036 -8.274 1.00 0.41 C ATOM 1302 O ASP A 80 3.956 8.582 -9.097 1.00 63.00 O ATOM 1303 CB ASP A 80 2.040 11.143 -7.252 1.00 61.50 C ATOM 1304 CG ASP A 80 1.496 12.565 -7.488 1.00 22.43 C ATOM 1305 OD1 ASP A 80 0.304 12.712 -7.855 1.00 71.35 O ATOM 1306 OD2 ASP A 80 2.257 13.541 -7.310 1.00 44.52 O ATOM 0 H ASP A 80 1.278 10.763 -10.284 1.00 52.40 H new ATOM 0 HA ASP A 80 3.140 10.990 -9.106 1.00 63.05 H new ATOM 0 HB2 ASP A 80 1.291 10.564 -6.712 1.00 61.50 H new ATOM 0 HB3 ASP A 80 2.920 11.203 -6.611 1.00 61.50 H new ATOM 1311 N TYR A 81 2.845 8.408 -7.117 1.00 61.55 N ATOM 1312 CA TYR A 81 3.325 7.062 -6.731 1.00 73.34 C ATOM 1313 C TYR A 81 2.609 6.622 -5.436 1.00 73.03 C ATOM 1314 O TYR A 81 1.840 7.392 -4.848 1.00 53.13 O ATOM 1315 CB TYR A 81 4.884 6.996 -6.567 1.00 52.32 C ATOM 1316 CG TYR A 81 5.494 7.705 -5.343 1.00 21.24 C ATOM 1317 CD1 TYR A 81 5.679 7.028 -4.125 1.00 52.52 C ATOM 1318 CD2 TYR A 81 5.907 9.037 -5.406 1.00 24.45 C ATOM 1319 CE1 TYR A 81 6.243 7.654 -3.032 1.00 3.45 C ATOM 1320 CE2 TYR A 81 6.472 9.667 -4.312 1.00 3.44 C ATOM 1321 CZ TYR A 81 6.636 8.973 -3.126 1.00 41.43 C ATOM 1322 OH TYR A 81 7.188 9.604 -2.031 1.00 61.41 O ATOM 0 H TYR A 81 2.243 8.832 -6.411 1.00 61.55 H new ATOM 0 HA TYR A 81 3.082 6.373 -7.539 1.00 73.34 H new ATOM 0 HB2 TYR A 81 5.176 5.946 -6.529 1.00 52.32 H new ATOM 0 HB3 TYR A 81 5.336 7.420 -7.463 1.00 52.32 H new ATOM 0 HD1 TYR A 81 5.373 5.995 -4.043 1.00 52.52 H new ATOM 0 HD2 TYR A 81 5.783 9.587 -6.327 1.00 24.45 H new ATOM 0 HE1 TYR A 81 6.376 7.113 -2.107 1.00 3.45 H new ATOM 0 HE2 TYR A 81 6.785 10.698 -4.383 1.00 3.44 H new ATOM 0 HH TYR A 81 7.411 10.529 -2.265 1.00 61.41 H new ATOM 1332 N PHE A 82 2.884 5.389 -4.979 1.00 60.41 N ATOM 1333 CA PHE A 82 2.274 4.839 -3.746 1.00 20.43 C ATOM 1334 C PHE A 82 3.310 4.062 -2.893 1.00 3.44 C ATOM 1335 O PHE A 82 4.036 3.197 -3.407 1.00 63.31 O ATOM 1336 CB PHE A 82 1.033 3.955 -4.091 1.00 73.23 C ATOM 1337 CG PHE A 82 1.296 2.732 -4.993 1.00 45.44 C ATOM 1338 CD1 PHE A 82 1.598 2.886 -6.351 1.00 43.42 C ATOM 1339 CD2 PHE A 82 1.228 1.431 -4.489 1.00 32.32 C ATOM 1340 CE1 PHE A 82 1.823 1.785 -7.161 1.00 4.10 C ATOM 1341 CE2 PHE A 82 1.452 0.332 -5.301 1.00 1.31 C ATOM 1342 CZ PHE A 82 1.748 0.510 -6.637 1.00 2.11 C ATOM 0 H PHE A 82 3.527 4.748 -5.444 1.00 60.41 H new ATOM 0 HA PHE A 82 1.930 5.677 -3.140 1.00 20.43 H new ATOM 0 HB2 PHE A 82 0.593 3.604 -3.158 1.00 73.23 H new ATOM 0 HB3 PHE A 82 0.288 4.585 -4.577 1.00 73.23 H new ATOM 0 HD1 PHE A 82 1.656 3.878 -6.774 1.00 43.42 H new ATOM 0 HD2 PHE A 82 0.996 1.279 -3.445 1.00 32.32 H new ATOM 0 HE1 PHE A 82 2.058 1.925 -8.206 1.00 4.10 H new ATOM 0 HE2 PHE A 82 1.395 -0.665 -4.889 1.00 1.31 H new ATOM 0 HZ PHE A 82 1.921 -0.347 -7.272 1.00 2.11 H new ATOM 1352 N GLU A 83 3.396 4.421 -1.595 1.00 72.55 N ATOM 1353 CA GLU A 83 4.202 3.686 -0.586 1.00 44.34 C ATOM 1354 C GLU A 83 3.286 2.865 0.335 1.00 33.35 C ATOM 1355 O GLU A 83 2.198 3.310 0.700 1.00 11.42 O ATOM 1356 CB GLU A 83 5.042 4.651 0.305 1.00 44.34 C ATOM 1357 CG GLU A 83 5.854 3.952 1.449 1.00 55.43 C ATOM 1358 CD GLU A 83 6.126 4.852 2.673 1.00 1.14 C ATOM 1359 OE1 GLU A 83 5.281 4.883 3.602 1.00 24.20 O ATOM 1360 OE2 GLU A 83 7.174 5.526 2.714 1.00 72.34 O ATOM 0 H GLU A 83 2.908 5.231 -1.212 1.00 72.55 H new ATOM 0 HA GLU A 83 4.877 3.034 -1.140 1.00 44.34 H new ATOM 0 HB2 GLU A 83 5.737 5.198 -0.332 1.00 44.34 H new ATOM 0 HB3 GLU A 83 4.372 5.386 0.751 1.00 44.34 H new ATOM 0 HG2 GLU A 83 5.309 3.067 1.777 1.00 55.43 H new ATOM 0 HG3 GLU A 83 6.807 3.609 1.046 1.00 55.43 H new ATOM 1367 N ILE A 84 3.739 1.657 0.708 1.00 53.42 N ATOM 1368 CA ILE A 84 3.101 0.847 1.755 1.00 54.13 C ATOM 1369 C ILE A 84 4.162 0.503 2.826 1.00 42.15 C ATOM 1370 O ILE A 84 5.127 -0.217 2.559 1.00 4.11 O ATOM 1371 CB ILE A 84 2.437 -0.476 1.204 1.00 72.55 C ATOM 1372 CG1 ILE A 84 1.364 -0.181 0.090 1.00 70.11 C ATOM 1373 CG2 ILE A 84 1.804 -1.279 2.365 1.00 60.15 C ATOM 1374 CD1 ILE A 84 1.914 0.100 -1.294 1.00 61.11 C ATOM 0 H ILE A 84 4.558 1.215 0.291 1.00 53.42 H new ATOM 0 HA ILE A 84 2.290 1.437 2.182 1.00 54.13 H new ATOM 0 HB ILE A 84 3.225 -1.071 0.743 1.00 72.55 H new ATOM 0 HG12 ILE A 84 0.689 -1.035 0.026 1.00 70.11 H new ATOM 0 HG13 ILE A 84 0.767 0.675 0.404 1.00 70.11 H new ATOM 0 HG21 ILE A 84 1.349 -2.189 1.973 1.00 60.15 H new ATOM 0 HG22 ILE A 84 2.576 -1.542 3.089 1.00 60.15 H new ATOM 0 HG23 ILE A 84 1.040 -0.673 2.853 1.00 60.15 H new ATOM 0 HD11 ILE A 84 1.090 0.289 -1.982 1.00 61.11 H new ATOM 0 HD12 ILE A 84 2.564 0.974 -1.257 1.00 61.11 H new ATOM 0 HD13 ILE A 84 2.485 -0.762 -1.641 1.00 61.11 H new ATOM 1386 N LYS A 85 3.996 1.071 4.021 1.00 45.12 N ATOM 1387 CA LYS A 85 4.864 0.813 5.177 1.00 12.13 C ATOM 1388 C LYS A 85 4.140 -0.101 6.186 1.00 72.11 C ATOM 1389 O LYS A 85 3.022 0.190 6.596 1.00 44.15 O ATOM 1390 CB LYS A 85 5.264 2.171 5.818 1.00 70.24 C ATOM 1391 CG LYS A 85 6.041 2.076 7.149 1.00 51.13 C ATOM 1392 CD LYS A 85 6.657 3.423 7.617 1.00 44.10 C ATOM 1393 CE LYS A 85 5.622 4.509 8.005 1.00 41.44 C ATOM 1394 NZ LYS A 85 4.919 5.111 6.833 1.00 74.14 N ATOM 0 H LYS A 85 3.245 1.733 4.219 1.00 45.12 H new ATOM 0 HA LYS A 85 5.771 0.297 4.861 1.00 12.13 H new ATOM 0 HB2 LYS A 85 5.871 2.726 5.102 1.00 70.24 H new ATOM 0 HB3 LYS A 85 4.358 2.754 5.987 1.00 70.24 H new ATOM 0 HG2 LYS A 85 5.370 1.706 7.924 1.00 51.13 H new ATOM 0 HG3 LYS A 85 6.839 1.341 7.041 1.00 51.13 H new ATOM 0 HD2 LYS A 85 7.303 3.233 8.474 1.00 44.10 H new ATOM 0 HD3 LYS A 85 7.291 3.813 6.821 1.00 44.10 H new ATOM 0 HE2 LYS A 85 4.883 4.071 8.676 1.00 41.44 H new ATOM 0 HE3 LYS A 85 6.128 5.299 8.560 1.00 41.44 H new ATOM 0 HZ1 LYS A 85 4.989 6.148 6.881 1.00 74.14 H new ATOM 0 HZ2 LYS A 85 5.360 4.775 5.953 1.00 74.14 H new ATOM 0 HZ3 LYS A 85 3.918 4.830 6.847 1.00 74.14 H new ATOM 1408 N MET A 86 4.786 -1.208 6.581 1.00 74.10 N ATOM 1409 CA MET A 86 4.243 -2.150 7.584 1.00 41.12 C ATOM 1410 C MET A 86 5.244 -2.203 8.750 1.00 44.22 C ATOM 1411 O MET A 86 6.451 -2.151 8.530 1.00 22.52 O ATOM 1412 CB MET A 86 4.028 -3.585 6.988 1.00 45.15 C ATOM 1413 CG MET A 86 3.498 -3.634 5.548 1.00 55.33 C ATOM 1414 SD MET A 86 3.272 -5.326 4.950 1.00 65.30 S ATOM 1415 CE MET A 86 2.073 -5.964 6.125 1.00 63.11 C ATOM 0 H MET A 86 5.699 -1.480 6.217 1.00 74.10 H new ATOM 0 HA MET A 86 3.265 -1.803 7.917 1.00 41.12 H new ATOM 0 HB2 MET A 86 4.977 -4.120 7.025 1.00 45.15 H new ATOM 0 HB3 MET A 86 3.332 -4.125 7.630 1.00 45.15 H new ATOM 0 HG2 MET A 86 2.547 -3.104 5.496 1.00 55.33 H new ATOM 0 HG3 MET A 86 4.192 -3.110 4.891 1.00 55.33 H new ATOM 0 HE1 MET A 86 2.308 -7.003 6.357 1.00 63.11 H new ATOM 0 HE2 MET A 86 2.109 -5.371 7.039 1.00 63.11 H new ATOM 0 HE3 MET A 86 1.074 -5.905 5.693 1.00 63.11 H new ATOM 1425 N SER A 87 4.765 -2.283 9.985 1.00 42.21 N ATOM 1426 CA SER A 87 5.648 -2.378 11.168 1.00 30.31 C ATOM 1427 C SER A 87 4.992 -3.250 12.236 1.00 63.33 C ATOM 1428 O SER A 87 3.784 -3.181 12.436 1.00 3.51 O ATOM 1429 CB SER A 87 5.965 -0.969 11.724 1.00 63.23 C ATOM 1430 OG SER A 87 6.811 -1.028 12.859 1.00 14.13 O ATOM 0 H SER A 87 3.769 -2.285 10.206 1.00 42.21 H new ATOM 0 HA SER A 87 6.589 -2.840 10.871 1.00 30.31 H new ATOM 0 HB2 SER A 87 6.441 -0.371 10.947 1.00 63.23 H new ATOM 0 HB3 SER A 87 5.035 -0.466 11.990 1.00 63.23 H new ATOM 0 HG SER A 87 6.990 -0.120 13.181 1.00 14.13 H new ATOM 1436 N TYR A 88 5.791 -4.056 12.930 1.00 12.05 N ATOM 1437 CA TYR A 88 5.284 -5.016 13.918 1.00 65.04 C ATOM 1438 C TYR A 88 5.244 -4.346 15.312 1.00 71.05 C ATOM 1439 O TYR A 88 6.290 -3.990 15.853 1.00 34.45 O ATOM 1440 CB TYR A 88 6.182 -6.280 13.913 1.00 45.41 C ATOM 1441 CG TYR A 88 5.669 -7.427 14.793 1.00 4.23 C ATOM 1442 CD1 TYR A 88 4.400 -7.970 14.581 1.00 73.23 C ATOM 1443 CD2 TYR A 88 6.441 -7.970 15.826 1.00 51.50 C ATOM 1444 CE1 TYR A 88 3.923 -8.999 15.363 1.00 75.41 C ATOM 1445 CE2 TYR A 88 5.963 -9.004 16.609 1.00 3.01 C ATOM 1446 CZ TYR A 88 4.703 -9.513 16.375 1.00 13.53 C ATOM 1447 OH TYR A 88 4.221 -10.543 17.156 1.00 72.11 O ATOM 0 H TYR A 88 6.806 -4.066 12.827 1.00 12.05 H new ATOM 0 HA TYR A 88 4.269 -5.323 13.664 1.00 65.04 H new ATOM 0 HB2 TYR A 88 6.277 -6.639 12.888 1.00 45.41 H new ATOM 0 HB3 TYR A 88 7.182 -6.002 14.247 1.00 45.41 H new ATOM 0 HD1 TYR A 88 3.781 -7.576 13.789 1.00 73.23 H new ATOM 0 HD2 TYR A 88 7.428 -7.574 16.015 1.00 51.50 H new ATOM 0 HE1 TYR A 88 2.938 -9.403 15.182 1.00 75.41 H new ATOM 0 HE2 TYR A 88 6.574 -9.412 17.401 1.00 3.01 H new ATOM 0 HH TYR A 88 4.895 -10.791 17.823 1.00 72.11 H new ATOM 1457 N ASN A 89 4.027 -4.179 15.879 1.00 32.32 N ATOM 1458 CA ASN A 89 3.824 -3.494 17.189 1.00 35.21 C ATOM 1459 C ASN A 89 4.494 -4.244 18.375 1.00 21.15 C ATOM 1460 O ASN A 89 4.656 -3.662 19.456 1.00 12.12 O ATOM 1461 CB ASN A 89 2.317 -3.318 17.490 1.00 11.31 C ATOM 1462 CG ASN A 89 1.564 -2.497 16.443 1.00 34.25 C ATOM 1463 OD1 ASN A 89 1.530 -1.274 16.501 1.00 32.44 O ATOM 1464 ND2 ASN A 89 0.940 -3.160 15.493 1.00 52.25 N ATOM 0 H ASN A 89 3.162 -4.510 15.451 1.00 32.32 H new ATOM 0 HA ASN A 89 4.304 -2.520 17.096 1.00 35.21 H new ATOM 0 HB2 ASN A 89 1.855 -4.302 17.566 1.00 11.31 H new ATOM 0 HB3 ASN A 89 2.205 -2.838 18.462 1.00 11.31 H new ATOM 0 HD21 ASN A 89 0.412 -2.655 14.781 1.00 52.25 H new ATOM 0 HD22 ASN A 89 0.985 -4.179 15.468 1.00 52.25 H new ATOM 1471 N GLU A 90 4.833 -5.538 18.147 1.00 5.12 N ATOM 1472 CA GLU A 90 5.502 -6.428 19.122 1.00 2.02 C ATOM 1473 C GLU A 90 4.563 -6.863 20.274 1.00 31.30 C ATOM 1474 O GLU A 90 4.144 -8.023 20.332 1.00 54.40 O ATOM 1475 CB GLU A 90 6.826 -5.804 19.661 1.00 23.24 C ATOM 1476 CG GLU A 90 7.590 -6.685 20.666 1.00 4.34 C ATOM 1477 CD GLU A 90 8.919 -6.064 21.133 1.00 15.10 C ATOM 1478 OE1 GLU A 90 8.898 -5.201 22.029 1.00 41.01 O ATOM 1479 OE2 GLU A 90 9.990 -6.430 20.597 1.00 72.45 O ATOM 0 H GLU A 90 4.643 -6.000 17.258 1.00 5.12 H new ATOM 0 HA GLU A 90 5.766 -7.336 18.579 1.00 2.02 H new ATOM 0 HB2 GLU A 90 7.480 -5.589 18.816 1.00 23.24 H new ATOM 0 HB3 GLU A 90 6.595 -4.851 20.136 1.00 23.24 H new ATOM 0 HG2 GLU A 90 6.957 -6.866 21.534 1.00 4.34 H new ATOM 0 HG3 GLU A 90 7.790 -7.654 20.210 1.00 4.34 H new ATOM 1486 N LEU A 91 4.198 -5.909 21.152 1.00 42.42 N ATOM 1487 CA LEU A 91 3.440 -6.182 22.393 1.00 65.24 C ATOM 1488 C LEU A 91 1.969 -6.572 22.106 1.00 64.45 C ATOM 1489 O LEU A 91 1.329 -7.237 22.929 1.00 63.41 O ATOM 1490 CB LEU A 91 3.511 -4.938 23.324 1.00 63.15 C ATOM 1491 CG LEU A 91 4.952 -4.410 23.650 1.00 2.53 C ATOM 1492 CD1 LEU A 91 4.904 -3.194 24.603 1.00 34.04 C ATOM 1493 CD2 LEU A 91 5.859 -5.534 24.209 1.00 31.45 C ATOM 0 H LEU A 91 4.421 -4.922 21.022 1.00 42.42 H new ATOM 0 HA LEU A 91 3.898 -7.037 22.890 1.00 65.24 H new ATOM 0 HB2 LEU A 91 2.944 -4.129 22.862 1.00 63.15 H new ATOM 0 HB3 LEU A 91 3.013 -5.181 24.262 1.00 63.15 H new ATOM 0 HG LEU A 91 5.395 -4.074 22.712 1.00 2.53 H new ATOM 0 HD11 LEU A 91 5.919 -2.853 24.809 1.00 34.04 H new ATOM 0 HD12 LEU A 91 4.338 -2.388 24.136 1.00 34.04 H new ATOM 0 HD13 LEU A 91 4.422 -3.483 25.537 1.00 34.04 H new ATOM 0 HD21 LEU A 91 6.849 -5.130 24.423 1.00 31.45 H new ATOM 0 HD22 LEU A 91 5.423 -5.931 25.126 1.00 31.45 H new ATOM 0 HD23 LEU A 91 5.944 -6.333 23.472 1.00 31.45 H new ATOM 1505 N THR A 92 1.439 -6.151 20.938 1.00 53.01 N ATOM 1506 CA THR A 92 0.067 -6.516 20.505 1.00 51.34 C ATOM 1507 C THR A 92 0.057 -7.893 19.806 1.00 51.43 C ATOM 1508 O THR A 92 -0.812 -8.729 20.062 1.00 34.33 O ATOM 1509 CB THR A 92 -0.556 -5.455 19.531 1.00 51.52 C ATOM 1510 OG1 THR A 92 0.127 -5.461 18.266 1.00 74.42 O ATOM 1511 CG2 THR A 92 -0.503 -4.034 20.116 1.00 74.13 C ATOM 0 H THR A 92 1.938 -5.558 20.275 1.00 53.01 H new ATOM 0 HA THR A 92 -0.537 -6.551 21.412 1.00 51.34 H new ATOM 0 HB THR A 92 -1.600 -5.736 19.391 1.00 51.52 H new ATOM 0 HG1 THR A 92 -0.277 -4.794 17.673 1.00 74.42 H new ATOM 0 HG21 THR A 92 -0.945 -3.332 19.408 1.00 74.13 H new ATOM 0 HG22 THR A 92 -1.061 -4.005 21.052 1.00 74.13 H new ATOM 0 HG23 THR A 92 0.534 -3.756 20.303 1.00 74.13 H new ATOM 1519 N GLY A 93 1.063 -8.115 18.934 1.00 41.54 N ATOM 1520 CA GLY A 93 1.126 -9.304 18.064 1.00 42.55 C ATOM 1521 C GLY A 93 0.648 -9.029 16.630 1.00 35.51 C ATOM 1522 O GLY A 93 0.654 -9.929 15.783 1.00 25.51 O ATOM 0 H GLY A 93 1.850 -7.477 18.815 1.00 41.54 H new ATOM 0 HA2 GLY A 93 2.152 -9.671 18.034 1.00 42.55 H new ATOM 0 HA3 GLY A 93 0.516 -10.097 18.498 1.00 42.55 H new ATOM 1526 N ASP A 94 0.257 -7.767 16.360 1.00 4.25 N ATOM 1527 CA ASP A 94 -0.272 -7.323 15.048 1.00 2.33 C ATOM 1528 C ASP A 94 0.722 -6.378 14.333 1.00 1.23 C ATOM 1529 O ASP A 94 1.764 -6.004 14.891 1.00 14.10 O ATOM 1530 CB ASP A 94 -1.624 -6.590 15.251 1.00 2.51 C ATOM 1531 CG ASP A 94 -2.619 -7.391 16.105 1.00 64.35 C ATOM 1532 OD1 ASP A 94 -3.244 -8.330 15.585 1.00 0.23 O ATOM 1533 OD2 ASP A 94 -2.756 -7.096 17.311 1.00 22.34 O ATOM 0 H ASP A 94 0.299 -7.018 17.051 1.00 4.25 H new ATOM 0 HA ASP A 94 -0.416 -8.206 14.425 1.00 2.33 H new ATOM 0 HB2 ASP A 94 -1.441 -5.626 15.725 1.00 2.51 H new ATOM 0 HB3 ASP A 94 -2.070 -6.387 14.278 1.00 2.51 H new ATOM 1538 N TYR A 95 0.371 -5.971 13.098 1.00 53.51 N ATOM 1539 CA TYR A 95 1.138 -4.974 12.311 1.00 40.52 C ATOM 1540 C TYR A 95 0.386 -3.620 12.217 1.00 42.32 C ATOM 1541 O TYR A 95 -0.797 -3.576 11.873 1.00 71.41 O ATOM 1542 CB TYR A 95 1.431 -5.521 10.877 1.00 51.31 C ATOM 1543 CG TYR A 95 2.538 -6.588 10.823 1.00 0.30 C ATOM 1544 CD1 TYR A 95 2.304 -7.908 11.222 1.00 64.13 C ATOM 1545 CD2 TYR A 95 3.826 -6.265 10.379 1.00 31.51 C ATOM 1546 CE1 TYR A 95 3.310 -8.857 11.182 1.00 42.53 C ATOM 1547 CE2 TYR A 95 4.829 -7.215 10.335 1.00 15.23 C ATOM 1548 CZ TYR A 95 4.570 -8.504 10.739 1.00 15.34 C ATOM 1549 OH TYR A 95 5.576 -9.446 10.703 1.00 25.10 O ATOM 0 H TYR A 95 -0.454 -6.323 12.613 1.00 53.51 H new ATOM 0 HA TYR A 95 2.081 -4.801 12.830 1.00 40.52 H new ATOM 0 HB2 TYR A 95 0.514 -5.944 10.467 1.00 51.31 H new ATOM 0 HB3 TYR A 95 1.713 -4.688 10.233 1.00 51.31 H new ATOM 0 HD1 TYR A 95 1.321 -8.191 11.567 1.00 64.13 H new ATOM 0 HD2 TYR A 95 4.040 -5.254 10.065 1.00 31.51 H new ATOM 0 HE1 TYR A 95 3.111 -9.871 11.496 1.00 42.53 H new ATOM 0 HE2 TYR A 95 5.814 -6.946 9.984 1.00 15.23 H new ATOM 0 HH TYR A 95 6.398 -9.034 10.365 1.00 25.10 H new ATOM 1559 N VAL A 96 1.089 -2.515 12.540 1.00 3.34 N ATOM 1560 CA VAL A 96 0.643 -1.151 12.198 1.00 52.53 C ATOM 1561 C VAL A 96 1.004 -0.846 10.717 1.00 62.44 C ATOM 1562 O VAL A 96 2.168 -0.890 10.307 1.00 42.40 O ATOM 1563 CB VAL A 96 1.220 -0.055 13.182 1.00 14.32 C ATOM 1564 CG1 VAL A 96 2.754 -0.148 13.339 1.00 22.02 C ATOM 1565 CG2 VAL A 96 0.789 1.372 12.746 1.00 31.50 C ATOM 0 H VAL A 96 1.976 -2.544 13.042 1.00 3.34 H new ATOM 0 HA VAL A 96 -0.440 -1.108 12.317 1.00 52.53 H new ATOM 0 HB VAL A 96 0.790 -0.258 14.163 1.00 14.32 H new ATOM 0 HG11 VAL A 96 3.097 0.627 14.025 1.00 22.02 H new ATOM 0 HG12 VAL A 96 3.020 -1.128 13.736 1.00 22.02 H new ATOM 0 HG13 VAL A 96 3.228 -0.009 12.368 1.00 22.02 H new ATOM 0 HG21 VAL A 96 1.200 2.104 13.441 1.00 31.50 H new ATOM 0 HG22 VAL A 96 1.163 1.574 11.742 1.00 31.50 H new ATOM 0 HG23 VAL A 96 -0.299 1.440 12.749 1.00 31.50 H new ATOM 1575 N LEU A 97 -0.030 -0.581 9.928 1.00 52.34 N ATOM 1576 CA LEU A 97 0.052 -0.409 8.468 1.00 13.03 C ATOM 1577 C LEU A 97 -0.154 1.072 8.093 1.00 14.20 C ATOM 1578 O LEU A 97 -0.944 1.742 8.727 1.00 20.20 O ATOM 1579 CB LEU A 97 -1.059 -1.288 7.839 1.00 43.02 C ATOM 1580 CG LEU A 97 -1.072 -1.401 6.292 1.00 52.00 C ATOM 1581 CD1 LEU A 97 0.239 -2.003 5.753 1.00 31.04 C ATOM 1582 CD2 LEU A 97 -2.301 -2.200 5.809 1.00 2.10 C ATOM 0 H LEU A 97 -0.978 -0.475 10.288 1.00 52.34 H new ATOM 0 HA LEU A 97 1.032 -0.708 8.097 1.00 13.03 H new ATOM 0 HB2 LEU A 97 -0.971 -2.293 8.252 1.00 43.02 H new ATOM 0 HB3 LEU A 97 -2.024 -0.895 8.159 1.00 43.02 H new ATOM 0 HG LEU A 97 -1.149 -0.391 5.888 1.00 52.00 H new ATOM 0 HD11 LEU A 97 0.191 -2.066 4.666 1.00 31.04 H new ATOM 0 HD12 LEU A 97 1.077 -1.369 6.043 1.00 31.04 H new ATOM 0 HD13 LEU A 97 0.379 -3.001 6.168 1.00 31.04 H new ATOM 0 HD21 LEU A 97 -2.288 -2.265 4.721 1.00 2.10 H new ATOM 0 HD22 LEU A 97 -2.272 -3.204 6.233 1.00 2.10 H new ATOM 0 HD23 LEU A 97 -3.212 -1.696 6.131 1.00 2.10 H new ATOM 1594 N GLU A 98 0.565 1.577 7.073 1.00 31.35 N ATOM 1595 CA GLU A 98 0.361 2.953 6.544 1.00 23.52 C ATOM 1596 C GLU A 98 0.423 2.963 5.003 1.00 24.44 C ATOM 1597 O GLU A 98 1.435 2.583 4.408 1.00 52.43 O ATOM 1598 CB GLU A 98 1.384 3.984 7.109 1.00 2.23 C ATOM 1599 CG GLU A 98 1.252 4.288 8.627 1.00 62.52 C ATOM 1600 CD GLU A 98 1.695 5.710 9.016 1.00 14.42 C ATOM 1601 OE1 GLU A 98 2.753 6.170 8.538 1.00 11.51 O ATOM 1602 OE2 GLU A 98 0.979 6.384 9.790 1.00 61.44 O ATOM 0 H GLU A 98 1.298 1.055 6.592 1.00 31.35 H new ATOM 0 HA GLU A 98 -0.631 3.258 6.878 1.00 23.52 H new ATOM 0 HB2 GLU A 98 2.391 3.615 6.916 1.00 2.23 H new ATOM 0 HB3 GLU A 98 1.276 4.918 6.558 1.00 2.23 H new ATOM 0 HG2 GLU A 98 0.214 4.146 8.928 1.00 62.52 H new ATOM 0 HG3 GLU A 98 1.848 3.566 9.186 1.00 62.52 H new ATOM 1609 N ILE A 99 -0.678 3.387 4.369 1.00 0.52 N ATOM 1610 CA ILE A 99 -0.757 3.591 2.909 1.00 1.51 C ATOM 1611 C ILE A 99 -0.546 5.097 2.585 1.00 11.43 C ATOM 1612 O ILE A 99 -1.345 5.950 2.987 1.00 2.32 O ATOM 1613 CB ILE A 99 -2.146 3.044 2.343 1.00 64.24 C ATOM 1614 CG1 ILE A 99 -2.117 1.480 2.153 1.00 43.43 C ATOM 1615 CG2 ILE A 99 -2.559 3.727 1.008 1.00 33.40 C ATOM 1616 CD1 ILE A 99 -1.972 0.663 3.418 1.00 74.32 C ATOM 0 H ILE A 99 -1.549 3.601 4.855 1.00 0.52 H new ATOM 0 HA ILE A 99 0.033 3.025 2.415 1.00 1.51 H new ATOM 0 HB ILE A 99 -2.895 3.297 3.094 1.00 64.24 H new ATOM 0 HG12 ILE A 99 -3.036 1.177 1.651 1.00 43.43 H new ATOM 0 HG13 ILE A 99 -1.292 1.230 1.485 1.00 43.43 H new ATOM 0 HG21 ILE A 99 -3.510 3.317 0.669 1.00 33.40 H new ATOM 0 HG22 ILE A 99 -2.662 4.801 1.165 1.00 33.40 H new ATOM 0 HG23 ILE A 99 -1.795 3.542 0.253 1.00 33.40 H new ATOM 0 HD11 ILE A 99 -1.964 -0.398 3.167 1.00 74.32 H new ATOM 0 HD12 ILE A 99 -1.038 0.925 3.916 1.00 74.32 H new ATOM 0 HD13 ILE A 99 -2.809 0.872 4.084 1.00 74.32 H new ATOM 1628 N THR A 100 0.561 5.406 1.883 1.00 11.40 N ATOM 1629 CA THR A 100 0.907 6.776 1.449 1.00 4.02 C ATOM 1630 C THR A 100 0.366 7.055 0.029 1.00 30.10 C ATOM 1631 O THR A 100 0.817 6.449 -0.952 1.00 15.22 O ATOM 1632 CB THR A 100 2.456 7.008 1.482 1.00 42.22 C ATOM 1633 OG1 THR A 100 2.944 6.845 2.828 1.00 13.24 O ATOM 1634 CG2 THR A 100 2.869 8.404 0.962 1.00 73.15 C ATOM 0 H THR A 100 1.247 4.707 1.598 1.00 11.40 H new ATOM 0 HA THR A 100 0.439 7.468 2.149 1.00 4.02 H new ATOM 0 HB THR A 100 2.898 6.267 0.816 1.00 42.22 H new ATOM 0 HG1 THR A 100 3.658 6.174 2.838 1.00 13.24 H new ATOM 0 HG21 THR A 100 3.953 8.504 1.010 1.00 73.15 H new ATOM 0 HG22 THR A 100 2.539 8.520 -0.070 1.00 73.15 H new ATOM 0 HG23 THR A 100 2.406 9.174 1.579 1.00 73.15 H new ATOM 1642 N ASP A 101 -0.612 7.964 -0.052 1.00 71.43 N ATOM 1643 CA ASP A 101 -1.243 8.398 -1.309 1.00 21.22 C ATOM 1644 C ASP A 101 -1.205 9.947 -1.404 1.00 44.53 C ATOM 1645 O ASP A 101 -1.020 10.639 -0.395 1.00 34.34 O ATOM 1646 CB ASP A 101 -2.693 7.853 -1.335 1.00 31.00 C ATOM 1647 CG ASP A 101 -3.472 8.223 -2.607 1.00 34.23 C ATOM 1648 OD1 ASP A 101 -3.312 7.534 -3.641 1.00 41.04 O ATOM 1649 OD2 ASP A 101 -4.239 9.213 -2.580 1.00 54.12 O ATOM 0 H ASP A 101 -0.997 8.430 0.770 1.00 71.43 H new ATOM 0 HA ASP A 101 -0.706 8.007 -2.173 1.00 21.22 H new ATOM 0 HB2 ASP A 101 -2.665 6.767 -1.240 1.00 31.00 H new ATOM 0 HB3 ASP A 101 -3.230 8.235 -0.467 1.00 31.00 H new ATOM 1654 N PHE A 102 -1.346 10.488 -2.630 1.00 73.24 N ATOM 1655 CA PHE A 102 -1.401 11.949 -2.868 1.00 2.03 C ATOM 1656 C PHE A 102 -2.784 12.351 -3.439 1.00 13.21 C ATOM 1657 O PHE A 102 -3.153 11.919 -4.540 1.00 52.14 O ATOM 1658 CB PHE A 102 -0.276 12.365 -3.859 1.00 43.25 C ATOM 1659 CG PHE A 102 1.133 11.983 -3.403 1.00 32.43 C ATOM 1660 CD1 PHE A 102 1.862 12.813 -2.549 1.00 1.04 C ATOM 1661 CD2 PHE A 102 1.728 10.787 -3.816 1.00 3.41 C ATOM 1662 CE1 PHE A 102 3.131 12.458 -2.127 1.00 54.14 C ATOM 1663 CE2 PHE A 102 2.995 10.439 -3.394 1.00 2.13 C ATOM 1664 CZ PHE A 102 3.697 11.274 -2.548 1.00 23.10 C ATOM 0 H PHE A 102 -1.425 9.931 -3.481 1.00 73.24 H new ATOM 0 HA PHE A 102 -1.252 12.465 -1.919 1.00 2.03 H new ATOM 0 HB2 PHE A 102 -0.470 11.903 -4.827 1.00 43.25 H new ATOM 0 HB3 PHE A 102 -0.318 13.444 -4.007 1.00 43.25 H new ATOM 0 HD1 PHE A 102 1.430 13.744 -2.214 1.00 1.04 H new ATOM 0 HD2 PHE A 102 1.187 10.125 -4.476 1.00 3.41 H new ATOM 0 HE1 PHE A 102 3.680 13.111 -1.465 1.00 54.14 H new ATOM 0 HE2 PHE A 102 3.438 9.512 -3.726 1.00 2.13 H new ATOM 0 HZ PHE A 102 4.688 11.000 -2.217 1.00 23.10 H new ATOM 1674 N SER A 103 -3.524 13.208 -2.710 1.00 50.34 N ATOM 1675 CA SER A 103 -4.851 13.720 -3.146 1.00 41.52 C ATOM 1676 C SER A 103 -5.043 15.184 -2.710 1.00 23.50 C ATOM 1677 O SER A 103 -4.564 15.584 -1.645 1.00 12.22 O ATOM 1678 CB SER A 103 -6.002 12.846 -2.561 1.00 1.33 C ATOM 1679 OG SER A 103 -6.012 11.547 -3.127 1.00 62.10 O ATOM 0 H SER A 103 -3.226 13.568 -1.804 1.00 50.34 H new ATOM 0 HA SER A 103 -4.884 13.667 -4.234 1.00 41.52 H new ATOM 0 HB2 SER A 103 -5.889 12.771 -1.480 1.00 1.33 H new ATOM 0 HB3 SER A 103 -6.959 13.332 -2.748 1.00 1.33 H new ATOM 0 HG SER A 103 -5.283 11.017 -2.743 1.00 62.10 H new ATOM 1685 N GLU A 104 -5.720 15.980 -3.566 1.00 0.51 N ATOM 1686 CA GLU A 104 -6.204 17.345 -3.219 1.00 21.15 C ATOM 1687 C GLU A 104 -7.043 17.314 -1.916 1.00 3.14 C ATOM 1688 O GLU A 104 -7.754 16.348 -1.689 1.00 42.33 O ATOM 1689 CB GLU A 104 -7.057 17.902 -4.401 1.00 44.44 C ATOM 1690 CG GLU A 104 -6.261 18.587 -5.532 1.00 61.24 C ATOM 1691 CD GLU A 104 -5.664 19.946 -5.125 1.00 23.42 C ATOM 1692 OE1 GLU A 104 -6.423 20.941 -5.085 1.00 75.32 O ATOM 1693 OE2 GLU A 104 -4.450 20.024 -4.842 1.00 50.05 O ATOM 0 H GLU A 104 -5.949 15.699 -4.519 1.00 0.51 H new ATOM 0 HA GLU A 104 -5.346 17.996 -3.051 1.00 21.15 H new ATOM 0 HB2 GLU A 104 -7.630 17.081 -4.830 1.00 44.44 H new ATOM 0 HB3 GLU A 104 -7.775 18.618 -4.002 1.00 44.44 H new ATOM 0 HG2 GLU A 104 -5.455 17.926 -5.851 1.00 61.24 H new ATOM 0 HG3 GLU A 104 -6.916 18.729 -6.392 1.00 61.24 H new ATOM 1700 N ALA A 105 -6.930 18.359 -1.071 1.00 60.34 N ATOM 1701 CA ALA A 105 -7.614 18.441 0.258 1.00 13.45 C ATOM 1702 C ALA A 105 -9.138 18.124 0.217 1.00 65.24 C ATOM 1703 O ALA A 105 -9.669 17.500 1.136 1.00 21.43 O ATOM 1704 CB ALA A 105 -7.385 19.830 0.870 1.00 25.15 C ATOM 0 H ALA A 105 -6.361 19.179 -1.282 1.00 60.34 H new ATOM 0 HA ALA A 105 -7.166 17.664 0.878 1.00 13.45 H new ATOM 0 HB1 ALA A 105 -7.884 19.888 1.838 1.00 25.15 H new ATOM 0 HB2 ALA A 105 -6.316 19.998 1.002 1.00 25.15 H new ATOM 0 HB3 ALA A 105 -7.792 20.592 0.206 1.00 25.15 H new ATOM 1710 N ASP A 106 -9.814 18.556 -0.861 1.00 53.53 N ATOM 1711 CA ASP A 106 -11.270 18.311 -1.083 1.00 0.30 C ATOM 1712 C ASP A 106 -11.617 16.801 -1.250 1.00 31.42 C ATOM 1713 O ASP A 106 -12.762 16.390 -1.060 1.00 40.50 O ATOM 1714 CB ASP A 106 -11.735 19.088 -2.329 1.00 22.43 C ATOM 1715 CG ASP A 106 -11.405 20.585 -2.247 1.00 44.34 C ATOM 1716 OD1 ASP A 106 -10.290 20.977 -2.647 1.00 11.21 O ATOM 1717 OD2 ASP A 106 -12.248 21.374 -1.766 1.00 53.42 O ATOM 0 H ASP A 106 -9.374 19.088 -1.612 1.00 53.53 H new ATOM 0 HA ASP A 106 -11.793 18.660 -0.192 1.00 0.30 H new ATOM 0 HB2 ASP A 106 -11.263 18.663 -3.215 1.00 22.43 H new ATOM 0 HB3 ASP A 106 -12.811 18.963 -2.450 1.00 22.43 H new ATOM 1722 N GLU A 107 -10.611 15.996 -1.615 1.00 43.13 N ATOM 1723 CA GLU A 107 -10.739 14.529 -1.805 1.00 61.32 C ATOM 1724 C GLU A 107 -10.044 13.770 -0.649 1.00 42.24 C ATOM 1725 O GLU A 107 -10.473 12.684 -0.250 1.00 12.54 O ATOM 1726 CB GLU A 107 -10.090 14.126 -3.163 1.00 73.33 C ATOM 1727 CG GLU A 107 -10.628 14.893 -4.396 1.00 24.11 C ATOM 1728 CD GLU A 107 -12.141 14.701 -4.637 1.00 33.13 C ATOM 1729 OE1 GLU A 107 -12.532 13.653 -5.197 1.00 64.23 O ATOM 1730 OE2 GLU A 107 -12.944 15.590 -4.263 1.00 54.13 O ATOM 0 H GLU A 107 -9.668 16.342 -1.791 1.00 43.13 H new ATOM 0 HA GLU A 107 -11.796 14.264 -1.809 1.00 61.32 H new ATOM 0 HB2 GLU A 107 -9.014 14.285 -3.096 1.00 73.33 H new ATOM 0 HB3 GLU A 107 -10.246 13.059 -3.321 1.00 73.33 H new ATOM 0 HG2 GLU A 107 -10.422 15.956 -4.270 1.00 24.11 H new ATOM 0 HG3 GLU A 107 -10.084 14.566 -5.282 1.00 24.11 H new ATOM 1737 N ALA A 108 -8.984 14.394 -0.103 1.00 33.34 N ATOM 1738 CA ALA A 108 -8.135 13.816 0.961 1.00 32.24 C ATOM 1739 C ALA A 108 -8.837 13.850 2.330 1.00 31.24 C ATOM 1740 O ALA A 108 -8.530 13.041 3.199 1.00 62.41 O ATOM 1741 CB ALA A 108 -6.788 14.551 1.031 1.00 35.02 C ATOM 0 H ALA A 108 -8.687 15.326 -0.391 1.00 33.34 H new ATOM 0 HA ALA A 108 -7.955 12.771 0.708 1.00 32.24 H new ATOM 0 HB1 ALA A 108 -6.175 14.113 1.819 1.00 35.02 H new ATOM 0 HB2 ALA A 108 -6.272 14.457 0.076 1.00 35.02 H new ATOM 0 HB3 ALA A 108 -6.960 15.605 1.248 1.00 35.02 H new ATOM 1747 N ASP A 109 -9.761 14.814 2.502 1.00 1.20 N ATOM 1748 CA ASP A 109 -10.599 14.952 3.716 1.00 23.12 C ATOM 1749 C ASP A 109 -11.582 13.759 3.852 1.00 41.34 C ATOM 1750 O ASP A 109 -11.742 13.187 4.939 1.00 74.21 O ATOM 1751 CB ASP A 109 -11.368 16.299 3.656 1.00 54.54 C ATOM 1752 CG ASP A 109 -12.189 16.574 4.923 1.00 1.15 C ATOM 1753 OD1 ASP A 109 -11.589 16.942 5.950 1.00 33.42 O ATOM 1754 OD2 ASP A 109 -13.426 16.395 4.907 1.00 34.43 O ATOM 0 H ASP A 109 -9.951 15.527 1.798 1.00 1.20 H new ATOM 0 HA ASP A 109 -9.956 14.945 4.596 1.00 23.12 H new ATOM 0 HB2 ASP A 109 -10.657 17.111 3.506 1.00 54.54 H new ATOM 0 HB3 ASP A 109 -12.033 16.294 2.792 1.00 54.54 H new ATOM 1759 N ASP A 110 -12.237 13.406 2.734 1.00 54.35 N ATOM 1760 CA ASP A 110 -13.108 12.211 2.648 1.00 53.41 C ATOM 1761 C ASP A 110 -12.297 10.904 2.789 1.00 62.32 C ATOM 1762 O ASP A 110 -12.820 9.893 3.245 1.00 74.41 O ATOM 1763 CB ASP A 110 -13.891 12.229 1.322 1.00 54.34 C ATOM 1764 CG ASP A 110 -14.830 13.437 1.233 1.00 73.15 C ATOM 1765 OD1 ASP A 110 -14.381 14.516 0.796 1.00 23.24 O ATOM 1766 OD2 ASP A 110 -16.013 13.319 1.627 1.00 1.11 O ATOM 0 H ASP A 110 -12.181 13.936 1.864 1.00 54.35 H new ATOM 0 HA ASP A 110 -13.813 12.243 3.478 1.00 53.41 H new ATOM 0 HB2 ASP A 110 -13.191 12.250 0.487 1.00 54.34 H new ATOM 0 HB3 ASP A 110 -14.470 11.310 1.229 1.00 54.34 H new ATOM 1771 N LEU A 111 -11.021 10.942 2.385 1.00 3.35 N ATOM 1772 CA LEU A 111 -10.071 9.836 2.618 1.00 60.53 C ATOM 1773 C LEU A 111 -9.704 9.687 4.115 1.00 4.15 C ATOM 1774 O LEU A 111 -9.495 8.568 4.593 1.00 3.41 O ATOM 1775 CB LEU A 111 -8.804 10.040 1.745 1.00 14.53 C ATOM 1776 CG LEU A 111 -8.967 9.691 0.215 1.00 72.03 C ATOM 1777 CD1 LEU A 111 -7.656 9.863 -0.567 1.00 43.21 C ATOM 1778 CD2 LEU A 111 -9.551 8.269 0.018 1.00 73.12 C ATOM 0 H LEU A 111 -10.615 11.735 1.889 1.00 3.35 H new ATOM 0 HA LEU A 111 -10.557 8.905 2.326 1.00 60.53 H new ATOM 0 HB2 LEU A 111 -8.489 11.080 1.830 1.00 14.53 H new ATOM 0 HB3 LEU A 111 -8.000 9.429 2.155 1.00 14.53 H new ATOM 0 HG LEU A 111 -9.679 10.408 -0.194 1.00 72.03 H new ATOM 0 HD11 LEU A 111 -7.821 9.611 -1.614 1.00 43.21 H new ATOM 0 HD12 LEU A 111 -7.320 10.897 -0.492 1.00 43.21 H new ATOM 0 HD13 LEU A 111 -6.895 9.203 -0.151 1.00 43.21 H new ATOM 0 HD21 LEU A 111 -9.650 8.061 -1.047 1.00 73.12 H new ATOM 0 HD22 LEU A 111 -8.883 7.536 0.470 1.00 73.12 H new ATOM 0 HD23 LEU A 111 -10.531 8.209 0.492 1.00 73.12 H new ATOM 1790 N LYS A 112 -9.612 10.824 4.837 1.00 4.53 N ATOM 1791 CA LYS A 112 -9.385 10.833 6.308 1.00 10.20 C ATOM 1792 C LYS A 112 -10.543 10.151 7.079 1.00 44.33 C ATOM 1793 O LYS A 112 -10.307 9.410 8.035 1.00 31.23 O ATOM 1794 CB LYS A 112 -9.225 12.276 6.869 1.00 73.43 C ATOM 1795 CG LYS A 112 -8.059 13.091 6.294 1.00 74.34 C ATOM 1796 CD LYS A 112 -6.678 12.428 6.483 1.00 13.01 C ATOM 1797 CE LYS A 112 -5.532 13.405 6.177 1.00 32.41 C ATOM 1798 NZ LYS A 112 -5.738 14.146 4.899 1.00 24.05 N ATOM 0 H LYS A 112 -9.691 11.755 4.427 1.00 4.53 H new ATOM 0 HA LYS A 112 -8.461 10.275 6.459 1.00 10.20 H new ATOM 0 HB2 LYS A 112 -10.150 12.822 6.685 1.00 73.43 H new ATOM 0 HB3 LYS A 112 -9.101 12.214 7.950 1.00 73.43 H new ATOM 0 HG2 LYS A 112 -8.231 13.252 5.230 1.00 74.34 H new ATOM 0 HG3 LYS A 112 -8.047 14.073 6.767 1.00 74.34 H new ATOM 0 HD2 LYS A 112 -6.585 12.067 7.507 1.00 13.01 H new ATOM 0 HD3 LYS A 112 -6.599 11.559 5.830 1.00 13.01 H new ATOM 0 HE2 LYS A 112 -5.439 14.118 6.996 1.00 32.41 H new ATOM 0 HE3 LYS A 112 -4.593 12.854 6.126 1.00 32.41 H new ATOM 0 HZ1 LYS A 112 -4.845 14.592 4.608 1.00 24.05 H new ATOM 0 HZ2 LYS A 112 -6.051 13.484 4.160 1.00 24.05 H new ATOM 0 HZ3 LYS A 112 -6.462 14.880 5.036 1.00 24.05 H new ATOM 1812 N GLU A 113 -11.797 10.461 6.702 1.00 73.15 N ATOM 1813 CA GLU A 113 -12.987 9.868 7.357 1.00 4.53 C ATOM 1814 C GLU A 113 -13.211 8.400 6.896 1.00 70.20 C ATOM 1815 O GLU A 113 -13.698 7.568 7.669 1.00 1.54 O ATOM 1816 CB GLU A 113 -14.247 10.785 7.170 1.00 12.44 C ATOM 1817 CG GLU A 113 -14.836 10.917 5.737 1.00 31.41 C ATOM 1818 CD GLU A 113 -15.737 9.738 5.308 1.00 52.13 C ATOM 1819 OE1 GLU A 113 -16.649 9.377 6.078 1.00 61.54 O ATOM 1820 OE2 GLU A 113 -15.539 9.169 4.212 1.00 50.51 O ATOM 0 H GLU A 113 -12.016 11.115 5.951 1.00 73.15 H new ATOM 0 HA GLU A 113 -12.807 9.818 8.431 1.00 4.53 H new ATOM 0 HB2 GLU A 113 -15.035 10.411 7.824 1.00 12.44 H new ATOM 0 HB3 GLU A 113 -13.990 11.784 7.521 1.00 12.44 H new ATOM 0 HG2 GLU A 113 -15.413 11.840 5.678 1.00 31.41 H new ATOM 0 HG3 GLU A 113 -14.015 11.008 5.026 1.00 31.41 H new ATOM 1827 N LEU A 114 -12.833 8.094 5.630 1.00 1.43 N ATOM 1828 CA LEU A 114 -12.889 6.714 5.065 1.00 75.01 C ATOM 1829 C LEU A 114 -11.889 5.786 5.798 1.00 63.22 C ATOM 1830 O LEU A 114 -12.161 4.606 6.004 1.00 51.31 O ATOM 1831 CB LEU A 114 -12.596 6.736 3.536 1.00 70.42 C ATOM 1832 CG LEU A 114 -12.720 5.369 2.783 1.00 21.44 C ATOM 1833 CD1 LEU A 114 -14.150 4.789 2.883 1.00 24.12 C ATOM 1834 CD2 LEU A 114 -12.265 5.494 1.307 1.00 51.21 C ATOM 0 H LEU A 114 -12.482 8.790 4.972 1.00 1.43 H new ATOM 0 HA LEU A 114 -13.895 6.322 5.215 1.00 75.01 H new ATOM 0 HB2 LEU A 114 -13.277 7.447 3.068 1.00 70.42 H new ATOM 0 HB3 LEU A 114 -11.586 7.117 3.387 1.00 70.42 H new ATOM 0 HG LEU A 114 -12.050 4.666 3.277 1.00 21.44 H new ATOM 0 HD11 LEU A 114 -14.196 3.840 2.348 1.00 24.12 H new ATOM 0 HD12 LEU A 114 -14.405 4.628 3.930 1.00 24.12 H new ATOM 0 HD13 LEU A 114 -14.858 5.489 2.441 1.00 24.12 H new ATOM 0 HD21 LEU A 114 -12.364 4.528 0.813 1.00 51.21 H new ATOM 0 HD22 LEU A 114 -12.887 6.228 0.795 1.00 51.21 H new ATOM 0 HD23 LEU A 114 -11.224 5.814 1.273 1.00 51.21 H new ATOM 1846 N TRP A 115 -10.757 6.373 6.218 1.00 11.11 N ATOM 1847 CA TRP A 115 -9.744 5.720 7.085 1.00 4.52 C ATOM 1848 C TRP A 115 -10.406 5.084 8.338 1.00 13.50 C ATOM 1849 O TRP A 115 -10.136 3.929 8.665 1.00 71.41 O ATOM 1850 CB TRP A 115 -8.675 6.793 7.474 1.00 14.02 C ATOM 1851 CG TRP A 115 -7.803 6.489 8.677 1.00 21.11 C ATOM 1852 CD1 TRP A 115 -6.631 5.802 8.692 1.00 2.13 C ATOM 1853 CD2 TRP A 115 -8.042 6.889 10.046 1.00 32.00 C ATOM 1854 NE1 TRP A 115 -6.127 5.762 9.964 1.00 75.13 N ATOM 1855 CE2 TRP A 115 -6.977 6.403 10.811 1.00 64.45 C ATOM 1856 CE3 TRP A 115 -9.061 7.604 10.691 1.00 21.12 C ATOM 1857 CZ2 TRP A 115 -6.885 6.604 12.187 1.00 51.10 C ATOM 1858 CZ3 TRP A 115 -8.976 7.804 12.057 1.00 23.43 C ATOM 1859 CH2 TRP A 115 -7.894 7.302 12.794 1.00 51.12 C ATOM 0 H TRP A 115 -10.509 7.330 5.965 1.00 11.11 H new ATOM 0 HA TRP A 115 -9.260 4.904 6.548 1.00 4.52 H new ATOM 0 HB2 TRP A 115 -8.024 6.950 6.614 1.00 14.02 H new ATOM 0 HB3 TRP A 115 -9.192 7.735 7.659 1.00 14.02 H new ATOM 0 HD1 TRP A 115 -6.165 5.353 7.827 1.00 2.13 H new ATOM 0 HE1 TRP A 115 -5.249 5.320 10.235 1.00 75.13 H new ATOM 0 HE3 TRP A 115 -9.899 7.992 10.130 1.00 21.12 H new ATOM 0 HZ2 TRP A 115 -6.048 6.223 12.754 1.00 51.10 H new ATOM 0 HZ3 TRP A 115 -9.755 8.355 12.563 1.00 23.43 H new ATOM 0 HH2 TRP A 115 -7.856 7.469 13.860 1.00 51.12 H new ATOM 1870 N ASP A 116 -11.314 5.848 8.992 1.00 42.31 N ATOM 1871 CA ASP A 116 -12.063 5.399 10.193 1.00 23.15 C ATOM 1872 C ASP A 116 -12.901 4.125 9.915 1.00 64.35 C ATOM 1873 O ASP A 116 -12.953 3.226 10.755 1.00 51.13 O ATOM 1874 CB ASP A 116 -12.973 6.549 10.708 1.00 32.15 C ATOM 1875 CG ASP A 116 -13.873 6.142 11.898 1.00 15.24 C ATOM 1876 OD1 ASP A 116 -13.415 6.187 13.059 1.00 53.30 O ATOM 1877 OD2 ASP A 116 -15.045 5.762 11.670 1.00 33.42 O ATOM 0 H ASP A 116 -11.549 6.797 8.701 1.00 42.31 H new ATOM 0 HA ASP A 116 -11.335 5.141 10.962 1.00 23.15 H new ATOM 0 HB2 ASP A 116 -12.347 7.390 11.008 1.00 32.15 H new ATOM 0 HB3 ASP A 116 -13.603 6.897 9.889 1.00 32.15 H new ATOM 1882 N SER A 117 -13.551 4.057 8.737 1.00 62.11 N ATOM 1883 CA SER A 117 -14.437 2.915 8.389 1.00 23.32 C ATOM 1884 C SER A 117 -13.629 1.611 8.175 1.00 24.31 C ATOM 1885 O SER A 117 -14.106 0.529 8.522 1.00 61.13 O ATOM 1886 CB SER A 117 -15.316 3.227 7.155 1.00 52.21 C ATOM 1887 OG SER A 117 -14.556 3.359 5.969 1.00 11.13 O ATOM 0 H SER A 117 -13.484 4.771 8.011 1.00 62.11 H new ATOM 0 HA SER A 117 -15.102 2.760 9.239 1.00 23.32 H new ATOM 0 HB2 SER A 117 -16.051 2.432 7.026 1.00 52.21 H new ATOM 0 HB3 SER A 117 -15.871 4.148 7.332 1.00 52.21 H new ATOM 0 HG SER A 117 -13.715 3.821 6.169 1.00 11.13 H new ATOM 1893 N GLN A 118 -12.398 1.719 7.620 1.00 1.32 N ATOM 1894 CA GLN A 118 -11.462 0.565 7.540 1.00 1.20 C ATOM 1895 C GLN A 118 -10.949 0.164 8.945 1.00 54.44 C ATOM 1896 O GLN A 118 -10.933 -1.007 9.275 1.00 21.45 O ATOM 1897 CB GLN A 118 -10.249 0.836 6.600 1.00 10.23 C ATOM 1898 CG GLN A 118 -10.529 0.773 5.076 1.00 23.30 C ATOM 1899 CD GLN A 118 -11.298 1.968 4.522 1.00 2.32 C ATOM 1900 OE1 GLN A 118 -10.707 2.946 4.071 1.00 70.44 O ATOM 1901 NE2 GLN A 118 -12.611 1.908 4.570 1.00 10.33 N ATOM 0 H GLN A 118 -12.030 2.584 7.224 1.00 1.32 H new ATOM 0 HA GLN A 118 -12.035 -0.258 7.113 1.00 1.20 H new ATOM 0 HB2 GLN A 118 -9.850 1.823 6.833 1.00 10.23 H new ATOM 0 HB3 GLN A 118 -9.468 0.113 6.834 1.00 10.23 H new ATOM 0 HG2 GLN A 118 -9.579 0.693 4.548 1.00 23.30 H new ATOM 0 HG3 GLN A 118 -11.091 -0.136 4.860 1.00 23.30 H new ATOM 0 HE21 GLN A 118 -13.070 1.081 4.951 1.00 10.33 H new ATOM 0 HE22 GLN A 118 -13.170 2.689 4.226 1.00 10.33 H new ATOM 1910 N VAL A 119 -10.553 1.154 9.768 1.00 45.53 N ATOM 1911 CA VAL A 119 -10.041 0.905 11.149 1.00 51.42 C ATOM 1912 C VAL A 119 -11.116 0.193 12.029 1.00 41.42 C ATOM 1913 O VAL A 119 -10.805 -0.720 12.806 1.00 70.41 O ATOM 1914 CB VAL A 119 -9.545 2.251 11.819 1.00 65.21 C ATOM 1915 CG1 VAL A 119 -9.177 2.068 13.318 1.00 15.25 C ATOM 1916 CG2 VAL A 119 -8.339 2.840 11.041 1.00 12.40 C ATOM 0 H VAL A 119 -10.574 2.140 9.508 1.00 45.53 H new ATOM 0 HA VAL A 119 -9.184 0.236 11.075 1.00 51.42 H new ATOM 0 HB VAL A 119 -10.379 2.951 11.772 1.00 65.21 H new ATOM 0 HG11 VAL A 119 -8.843 3.020 13.730 1.00 15.25 H new ATOM 0 HG12 VAL A 119 -10.052 1.722 13.868 1.00 15.25 H new ATOM 0 HG13 VAL A 119 -8.377 1.333 13.409 1.00 15.25 H new ATOM 0 HG21 VAL A 119 -8.014 3.764 11.519 1.00 12.40 H new ATOM 0 HG22 VAL A 119 -7.519 2.122 11.044 1.00 12.40 H new ATOM 0 HG23 VAL A 119 -8.636 3.047 10.013 1.00 12.40 H new ATOM 1926 N SER A 120 -12.386 0.590 11.845 1.00 44.54 N ATOM 1927 CA SER A 120 -13.541 -0.034 12.533 1.00 40.22 C ATOM 1928 C SER A 120 -13.758 -1.491 12.045 1.00 44.23 C ATOM 1929 O SER A 120 -13.794 -2.420 12.849 1.00 0.52 O ATOM 1930 CB SER A 120 -14.830 0.796 12.307 1.00 13.44 C ATOM 1931 OG SER A 120 -14.692 2.132 12.778 1.00 34.13 O ATOM 0 H SER A 120 -12.646 1.351 11.217 1.00 44.54 H new ATOM 0 HA SER A 120 -13.319 -0.054 13.600 1.00 40.22 H new ATOM 0 HB2 SER A 120 -15.071 0.809 11.244 1.00 13.44 H new ATOM 0 HB3 SER A 120 -15.665 0.316 12.817 1.00 13.44 H new ATOM 0 HG SER A 120 -14.096 2.630 12.180 1.00 34.13 H new ATOM 1937 N LYS A 121 -13.858 -1.672 10.706 1.00 34.32 N ATOM 1938 CA LYS A 121 -14.175 -2.986 10.073 1.00 21.33 C ATOM 1939 C LYS A 121 -13.048 -4.038 10.228 1.00 31.11 C ATOM 1940 O LYS A 121 -13.335 -5.229 10.293 1.00 74.41 O ATOM 1941 CB LYS A 121 -14.530 -2.797 8.575 1.00 41.33 C ATOM 1942 CG LYS A 121 -15.906 -2.134 8.329 1.00 33.22 C ATOM 1943 CD LYS A 121 -16.223 -1.928 6.823 1.00 63.31 C ATOM 1944 CE LYS A 121 -16.171 -3.242 6.013 1.00 35.52 C ATOM 1945 NZ LYS A 121 -17.084 -4.286 6.552 1.00 13.14 N ATOM 0 H LYS A 121 -13.723 -0.918 10.032 1.00 34.32 H new ATOM 0 HA LYS A 121 -15.039 -3.379 10.610 1.00 21.33 H new ATOM 0 HB2 LYS A 121 -13.757 -2.190 8.104 1.00 41.33 H new ATOM 0 HB3 LYS A 121 -14.515 -3.770 8.084 1.00 41.33 H new ATOM 0 HG2 LYS A 121 -16.685 -2.751 8.777 1.00 33.22 H new ATOM 0 HG3 LYS A 121 -15.933 -1.169 8.835 1.00 33.22 H new ATOM 0 HD2 LYS A 121 -17.213 -1.484 6.723 1.00 63.31 H new ATOM 0 HD3 LYS A 121 -15.511 -1.218 6.401 1.00 63.31 H new ATOM 0 HE2 LYS A 121 -16.435 -3.035 4.976 1.00 35.52 H new ATOM 0 HE3 LYS A 121 -15.150 -3.623 6.012 1.00 35.52 H new ATOM 0 HZ1 LYS A 121 -17.035 -5.134 5.952 1.00 13.14 H new ATOM 0 HZ2 LYS A 121 -16.798 -4.531 7.521 1.00 13.14 H new ATOM 0 HZ3 LYS A 121 -18.059 -3.924 6.560 1.00 13.14 H new ATOM 1959 N LEU A 122 -11.784 -3.594 10.249 1.00 24.33 N ATOM 1960 CA LEU A 122 -10.604 -4.479 10.486 1.00 53.54 C ATOM 1961 C LEU A 122 -10.643 -5.082 11.904 1.00 61.33 C ATOM 1962 O LEU A 122 -10.300 -6.257 12.098 1.00 43.45 O ATOM 1963 CB LEU A 122 -9.266 -3.699 10.239 1.00 30.43 C ATOM 1964 CG LEU A 122 -8.684 -3.762 8.783 1.00 51.20 C ATOM 1965 CD1 LEU A 122 -9.752 -3.497 7.706 1.00 24.43 C ATOM 1966 CD2 LEU A 122 -7.497 -2.788 8.629 1.00 61.34 C ATOM 0 H LEU A 122 -11.536 -2.615 10.104 1.00 24.33 H new ATOM 0 HA LEU A 122 -10.649 -5.303 9.774 1.00 53.54 H new ATOM 0 HB2 LEU A 122 -9.427 -2.653 10.498 1.00 30.43 H new ATOM 0 HB3 LEU A 122 -8.513 -4.085 10.926 1.00 30.43 H new ATOM 0 HG LEU A 122 -8.327 -4.780 8.628 1.00 51.20 H new ATOM 0 HD11 LEU A 122 -9.294 -3.553 6.718 1.00 24.43 H new ATOM 0 HD12 LEU A 122 -10.540 -4.246 7.783 1.00 24.43 H new ATOM 0 HD13 LEU A 122 -10.178 -2.505 7.853 1.00 24.43 H new ATOM 0 HD21 LEU A 122 -7.108 -2.847 7.613 1.00 61.34 H new ATOM 0 HD22 LEU A 122 -7.833 -1.771 8.831 1.00 61.34 H new ATOM 0 HD23 LEU A 122 -6.711 -3.058 9.335 1.00 61.34 H new ATOM 1978 N ARG A 123 -11.092 -4.270 12.876 1.00 23.13 N ATOM 1979 CA ARG A 123 -11.306 -4.721 14.261 1.00 73.34 C ATOM 1980 C ARG A 123 -12.511 -5.702 14.343 1.00 31.54 C ATOM 1981 O ARG A 123 -12.456 -6.696 15.070 1.00 70.05 O ATOM 1982 CB ARG A 123 -11.522 -3.499 15.194 1.00 32.35 C ATOM 1983 CG ARG A 123 -11.676 -3.866 16.689 1.00 22.42 C ATOM 1984 CD ARG A 123 -11.925 -2.651 17.597 1.00 3.43 C ATOM 1985 NE ARG A 123 -12.103 -3.059 19.008 1.00 55.33 N ATOM 1986 CZ ARG A 123 -12.889 -2.473 19.885 1.00 44.44 C ATOM 1987 NH1 ARG A 123 -13.600 -1.439 19.562 1.00 31.11 N ATOM 1988 NH2 ARG A 123 -12.958 -2.941 21.087 1.00 53.43 N ATOM 0 H ARG A 123 -11.316 -3.286 12.724 1.00 23.13 H new ATOM 0 HA ARG A 123 -10.417 -5.257 14.593 1.00 73.34 H new ATOM 0 HB2 ARG A 123 -10.679 -2.817 15.083 1.00 32.35 H new ATOM 0 HB3 ARG A 123 -12.412 -2.960 14.869 1.00 32.35 H new ATOM 0 HG2 ARG A 123 -12.503 -4.567 16.799 1.00 22.42 H new ATOM 0 HG3 ARG A 123 -10.775 -4.381 17.023 1.00 22.42 H new ATOM 0 HD2 ARG A 123 -11.086 -1.959 17.520 1.00 3.43 H new ATOM 0 HD3 ARG A 123 -12.812 -2.116 17.257 1.00 3.43 H new ATOM 0 HE ARG A 123 -11.569 -3.866 19.329 1.00 55.33 H new ATOM 0 HH11 ARG A 123 -13.556 -1.066 18.614 1.00 31.11 H new ATOM 0 HH12 ARG A 123 -14.204 -0.998 20.256 1.00 31.11 H new ATOM 0 HH21 ARG A 123 -12.406 -3.758 21.349 1.00 53.43 H new ATOM 0 HH22 ARG A 123 -13.564 -2.494 21.774 1.00 53.43 H new ATOM 2002 N ARG A 124 -13.582 -5.422 13.559 1.00 60.50 N ATOM 2003 CA ARG A 124 -14.801 -6.279 13.509 1.00 32.45 C ATOM 2004 C ARG A 124 -14.489 -7.692 12.952 1.00 61.03 C ATOM 2005 O ARG A 124 -14.755 -8.700 13.612 1.00 72.42 O ATOM 2006 CB ARG A 124 -15.918 -5.628 12.645 1.00 52.52 C ATOM 2007 CG ARG A 124 -16.426 -4.261 13.139 1.00 75.43 C ATOM 2008 CD ARG A 124 -17.632 -3.745 12.327 1.00 44.10 C ATOM 2009 NE ARG A 124 -18.779 -4.680 12.371 1.00 23.20 N ATOM 2010 CZ ARG A 124 -19.922 -4.475 13.000 1.00 54.10 C ATOM 2011 NH1 ARG A 124 -20.118 -3.418 13.728 1.00 30.10 N ATOM 2012 NH2 ARG A 124 -20.853 -5.368 12.916 1.00 0.12 N ATOM 0 H ARG A 124 -13.629 -4.606 12.949 1.00 60.50 H new ATOM 0 HA ARG A 124 -15.151 -6.375 14.537 1.00 32.45 H new ATOM 0 HB2 ARG A 124 -15.545 -5.511 11.628 1.00 52.52 H new ATOM 0 HB3 ARG A 124 -16.763 -6.315 12.598 1.00 52.52 H new ATOM 0 HG2 ARG A 124 -16.707 -4.340 14.189 1.00 75.43 H new ATOM 0 HG3 ARG A 124 -15.616 -3.534 13.080 1.00 75.43 H new ATOM 0 HD2 ARG A 124 -17.941 -2.775 12.716 1.00 44.10 H new ATOM 0 HD3 ARG A 124 -17.331 -3.591 11.291 1.00 44.10 H new ATOM 0 HE ARG A 124 -18.677 -5.563 11.870 1.00 23.20 H new ATOM 0 HH11 ARG A 124 -19.379 -2.721 13.825 1.00 30.10 H new ATOM 0 HH12 ARG A 124 -21.011 -3.284 14.203 1.00 30.10 H new ATOM 0 HH21 ARG A 124 -20.699 -6.216 12.370 1.00 0.12 H new ATOM 0 HH22 ARG A 124 -21.742 -5.225 13.396 1.00 0.12 H new ATOM 2026 N THR A 125 -13.906 -7.738 11.734 1.00 10.11 N ATOM 2027 CA THR A 125 -13.617 -9.005 11.022 1.00 24.40 C ATOM 2028 C THR A 125 -12.495 -9.813 11.710 1.00 51.55 C ATOM 2029 O THR A 125 -12.514 -11.052 11.683 1.00 53.12 O ATOM 2030 CB THR A 125 -13.247 -8.769 9.509 1.00 63.40 C ATOM 2031 OG1 THR A 125 -13.152 -10.032 8.823 1.00 42.34 O ATOM 2032 CG2 THR A 125 -11.925 -7.991 9.311 1.00 52.21 C ATOM 0 H THR A 125 -13.624 -6.904 11.218 1.00 10.11 H new ATOM 0 HA THR A 125 -14.539 -9.585 11.063 1.00 24.40 H new ATOM 0 HB THR A 125 -14.048 -8.158 9.093 1.00 63.40 H new ATOM 0 HG1 THR A 125 -12.923 -9.877 7.883 1.00 42.34 H new ATOM 0 HG21 THR A 125 -11.733 -7.865 8.245 1.00 52.21 H new ATOM 0 HG22 THR A 125 -12.005 -7.012 9.784 1.00 52.21 H new ATOM 0 HG23 THR A 125 -11.104 -8.547 9.764 1.00 52.21 H new ATOM 2040 N CYS A 126 -11.539 -9.087 12.337 1.00 42.25 N ATOM 2041 CA CYS A 126 -10.322 -9.659 12.955 1.00 24.01 C ATOM 2042 C CYS A 126 -9.473 -10.430 11.904 1.00 73.54 C ATOM 2043 O CYS A 126 -9.587 -11.654 11.767 1.00 51.30 O ATOM 2044 CB CYS A 126 -10.670 -10.546 14.181 1.00 50.14 C ATOM 2045 SG CYS A 126 -11.623 -9.695 15.462 1.00 44.41 S ATOM 0 H CYS A 126 -11.594 -8.073 12.428 1.00 42.25 H new ATOM 0 HA CYS A 126 -9.714 -8.833 13.324 1.00 24.01 H new ATOM 0 HB2 CYS A 126 -11.234 -11.414 13.840 1.00 50.14 H new ATOM 0 HB3 CYS A 126 -9.745 -10.920 14.620 1.00 50.14 H new ATOM 0 HG CYS A 126 -11.834 -8.464 15.100 1.00 44.41 H new ATOM 2051 N GLY A 127 -8.666 -9.684 11.130 1.00 23.14 N ATOM 2052 CA GLY A 127 -7.844 -10.261 10.055 1.00 31.14 C ATOM 2053 C GLY A 127 -7.458 -9.233 8.990 1.00 72.10 C ATOM 2054 O GLY A 127 -6.864 -8.197 9.310 1.00 44.52 O ATOM 0 H GLY A 127 -8.566 -8.674 11.231 1.00 23.14 H new ATOM 0 HA2 GLY A 127 -6.939 -10.689 10.486 1.00 31.14 H new ATOM 0 HA3 GLY A 127 -8.391 -11.078 9.584 1.00 31.14 H new ATOM 2058 N PHE A 128 -7.812 -9.523 7.723 1.00 21.44 N ATOM 2059 CA PHE A 128 -7.495 -8.662 6.558 1.00 72.01 C ATOM 2060 C PHE A 128 -8.783 -8.360 5.754 1.00 35.11 C ATOM 2061 O PHE A 128 -9.469 -9.284 5.307 1.00 41.43 O ATOM 2062 CB PHE A 128 -6.441 -9.378 5.661 1.00 42.40 C ATOM 2063 CG PHE A 128 -6.003 -8.598 4.413 1.00 41.51 C ATOM 2064 CD1 PHE A 128 -5.146 -7.500 4.516 1.00 2.20 C ATOM 2065 CD2 PHE A 128 -6.442 -8.965 3.135 1.00 60.02 C ATOM 2066 CE1 PHE A 128 -4.747 -6.798 3.396 1.00 64.13 C ATOM 2067 CE2 PHE A 128 -6.039 -8.261 2.015 1.00 12.53 C ATOM 2068 CZ PHE A 128 -5.190 -7.178 2.148 1.00 22.33 C ATOM 0 H PHE A 128 -8.329 -10.366 7.473 1.00 21.44 H new ATOM 0 HA PHE A 128 -7.081 -7.715 6.905 1.00 72.01 H new ATOM 0 HB2 PHE A 128 -5.559 -9.590 6.265 1.00 42.40 H new ATOM 0 HB3 PHE A 128 -6.849 -10.338 5.345 1.00 42.40 H new ATOM 0 HD1 PHE A 128 -4.789 -7.195 5.489 1.00 2.20 H new ATOM 0 HD2 PHE A 128 -7.105 -9.810 3.022 1.00 60.02 H new ATOM 0 HE1 PHE A 128 -4.087 -5.950 3.498 1.00 64.13 H new ATOM 0 HE2 PHE A 128 -6.387 -8.557 1.037 1.00 12.53 H new ATOM 0 HZ PHE A 128 -4.874 -6.630 1.273 1.00 22.33 H new ATOM 2078 N LEU A 129 -9.101 -7.066 5.581 1.00 21.33 N ATOM 2079 CA LEU A 129 -10.242 -6.604 4.750 1.00 74.21 C ATOM 2080 C LEU A 129 -9.728 -5.571 3.717 1.00 32.54 C ATOM 2081 O LEU A 129 -8.966 -4.660 4.061 1.00 14.14 O ATOM 2082 CB LEU A 129 -11.379 -6.025 5.672 1.00 14.03 C ATOM 2083 CG LEU A 129 -12.774 -5.655 5.031 1.00 35.22 C ATOM 2084 CD1 LEU A 129 -12.765 -4.298 4.284 1.00 3.44 C ATOM 2085 CD2 LEU A 129 -13.289 -6.792 4.121 1.00 73.44 C ATOM 0 H LEU A 129 -8.577 -6.304 6.011 1.00 21.33 H new ATOM 0 HA LEU A 129 -10.677 -7.438 4.199 1.00 74.21 H new ATOM 0 HB2 LEU A 129 -11.563 -6.753 6.462 1.00 14.03 H new ATOM 0 HB3 LEU A 129 -10.989 -5.127 6.150 1.00 14.03 H new ATOM 0 HG LEU A 129 -13.469 -5.537 5.863 1.00 35.22 H new ATOM 0 HD11 LEU A 129 -13.754 -4.105 3.868 1.00 3.44 H new ATOM 0 HD12 LEU A 129 -12.502 -3.501 4.980 1.00 3.44 H new ATOM 0 HD13 LEU A 129 -12.032 -4.331 3.478 1.00 3.44 H new ATOM 0 HD21 LEU A 129 -14.251 -6.509 3.694 1.00 73.44 H new ATOM 0 HD22 LEU A 129 -12.573 -6.968 3.318 1.00 73.44 H new ATOM 0 HD23 LEU A 129 -13.407 -7.703 4.708 1.00 73.44 H new ATOM 2097 N GLU A 130 -10.187 -5.713 2.458 1.00 14.34 N ATOM 2098 CA GLU A 130 -9.728 -4.895 1.306 1.00 11.44 C ATOM 2099 C GLU A 130 -10.868 -4.834 0.241 1.00 63.03 C ATOM 2100 O GLU A 130 -11.999 -5.237 0.535 1.00 32.12 O ATOM 2101 CB GLU A 130 -8.397 -5.528 0.757 1.00 23.32 C ATOM 2102 CG GLU A 130 -7.498 -4.621 -0.158 1.00 15.13 C ATOM 2103 CD GLU A 130 -7.514 -5.027 -1.650 1.00 65.41 C ATOM 2104 OE1 GLU A 130 -7.031 -6.128 -1.963 1.00 63.52 O ATOM 2105 OE2 GLU A 130 -8.031 -4.261 -2.504 1.00 60.31 O ATOM 0 H GLU A 130 -10.893 -6.404 2.204 1.00 14.34 H new ATOM 0 HA GLU A 130 -9.511 -3.866 1.594 1.00 11.44 H new ATOM 0 HB2 GLU A 130 -7.798 -5.848 1.609 1.00 23.32 H new ATOM 0 HB3 GLU A 130 -8.656 -6.425 0.194 1.00 23.32 H new ATOM 0 HG2 GLU A 130 -7.832 -3.587 -0.069 1.00 15.13 H new ATOM 0 HG3 GLU A 130 -6.472 -4.657 0.207 1.00 15.13 H new ATOM 2112 N HIS A 131 -10.582 -4.264 -0.954 1.00 54.05 N ATOM 2113 CA HIS A 131 -11.495 -4.222 -2.145 1.00 74.11 C ATOM 2114 C HIS A 131 -12.583 -3.112 -2.069 1.00 2.32 C ATOM 2115 O HIS A 131 -12.968 -2.565 -3.107 1.00 32.43 O ATOM 2116 CB HIS A 131 -12.143 -5.607 -2.468 1.00 1.54 C ATOM 2117 CG HIS A 131 -11.158 -6.713 -2.762 1.00 21.13 C ATOM 2118 ND1 HIS A 131 -9.973 -6.508 -3.430 1.00 61.32 N ATOM 2119 CD2 HIS A 131 -11.201 -8.046 -2.496 1.00 60.30 C ATOM 2120 CE1 HIS A 131 -9.336 -7.653 -3.567 1.00 24.34 C ATOM 2121 NE2 HIS A 131 -10.055 -8.603 -3.014 1.00 71.43 N ATOM 0 H HIS A 131 -9.688 -3.806 -1.131 1.00 54.05 H new ATOM 0 HA HIS A 131 -10.836 -3.960 -2.973 1.00 74.11 H new ATOM 0 HB2 HIS A 131 -12.764 -5.907 -1.624 1.00 1.54 H new ATOM 0 HB3 HIS A 131 -12.805 -5.491 -3.326 1.00 1.54 H new ATOM 0 HD2 HIS A 131 -11.989 -8.570 -1.975 1.00 60.30 H new ATOM 0 HE1 HIS A 131 -8.381 -7.788 -4.053 1.00 24.34 H new ATOM 0 HE2 HIS A 131 -9.805 -9.591 -2.975 1.00 71.43 H new ATOM 2130 N HIS A 132 -13.074 -2.779 -0.850 1.00 21.41 N ATOM 2131 CA HIS A 132 -14.101 -1.723 -0.659 1.00 24.05 C ATOM 2132 C HIS A 132 -13.519 -0.306 -0.943 1.00 32.31 C ATOM 2133 O HIS A 132 -14.251 0.614 -1.328 1.00 60.11 O ATOM 2134 CB HIS A 132 -14.695 -1.797 0.775 1.00 61.34 C ATOM 2135 CG HIS A 132 -16.013 -1.081 0.913 1.00 32.20 C ATOM 2136 ND1 HIS A 132 -16.134 0.213 1.376 1.00 0.20 N ATOM 2137 CD2 HIS A 132 -17.274 -1.482 0.615 1.00 22.41 C ATOM 2138 CE1 HIS A 132 -17.401 0.572 1.353 1.00 31.13 C ATOM 2139 NE2 HIS A 132 -18.113 -0.433 0.893 1.00 63.44 N ATOM 0 H HIS A 132 -12.776 -3.226 0.017 1.00 21.41 H new ATOM 0 HA HIS A 132 -14.902 -1.900 -1.377 1.00 24.05 H new ATOM 0 HB2 HIS A 132 -14.827 -2.843 1.052 1.00 61.34 H new ATOM 0 HB3 HIS A 132 -13.981 -1.368 1.479 1.00 61.34 H new ATOM 0 HD2 HIS A 132 -17.564 -2.449 0.230 1.00 22.41 H new ATOM 0 HE1 HIS A 132 -17.790 1.531 1.661 1.00 31.13 H new ATOM 0 HE2 HIS A 132 -19.125 -0.433 0.764 1.00 63.44 H new ATOM 2148 N HIS A 133 -12.200 -0.146 -0.724 1.00 10.42 N ATOM 2149 CA HIS A 133 -11.444 1.045 -1.169 1.00 41.23 C ATOM 2150 C HIS A 133 -11.281 0.973 -2.712 1.00 4.20 C ATOM 2151 O HIS A 133 -10.909 -0.084 -3.240 1.00 55.41 O ATOM 2152 CB HIS A 133 -10.052 1.087 -0.459 1.00 44.24 C ATOM 2153 CG HIS A 133 -9.210 2.346 -0.662 1.00 13.22 C ATOM 2154 ND1 HIS A 133 -8.315 2.794 0.290 1.00 65.52 N ATOM 2155 CD2 HIS A 133 -9.092 3.223 -1.700 1.00 15.22 C ATOM 2156 CE1 HIS A 133 -7.692 3.872 -0.150 1.00 52.51 C ATOM 2157 NE2 HIS A 133 -8.144 4.150 -1.351 1.00 42.12 N ATOM 0 H HIS A 133 -11.628 -0.835 -0.235 1.00 10.42 H new ATOM 0 HA HIS A 133 -11.980 1.957 -0.905 1.00 41.23 H new ATOM 0 HB2 HIS A 133 -10.213 0.955 0.611 1.00 44.24 H new ATOM 0 HB3 HIS A 133 -9.470 0.231 -0.802 1.00 44.24 H new ATOM 0 HD2 HIS A 133 -9.644 3.193 -2.627 1.00 15.22 H new ATOM 0 HE1 HIS A 133 -6.939 4.430 0.387 1.00 52.51 H new ATOM 0 HE2 HIS A 133 -7.839 4.931 -1.932 1.00 42.12 H new ATOM 2166 N HIS A 134 -11.594 2.089 -3.410 1.00 41.33 N ATOM 2167 CA HIS A 134 -11.497 2.186 -4.891 1.00 45.24 C ATOM 2168 C HIS A 134 -10.056 1.854 -5.372 1.00 14.23 C ATOM 2169 O HIS A 134 -9.098 2.564 -5.049 1.00 4.00 O ATOM 2170 CB HIS A 134 -11.966 3.589 -5.351 1.00 24.44 C ATOM 2171 CG HIS A 134 -13.397 3.883 -4.975 1.00 23.12 C ATOM 2172 ND1 HIS A 134 -13.758 4.785 -3.991 1.00 53.42 N ATOM 2173 CD2 HIS A 134 -14.559 3.360 -5.434 1.00 20.52 C ATOM 2174 CE1 HIS A 134 -15.066 4.796 -3.860 1.00 54.01 C ATOM 2175 NE2 HIS A 134 -15.576 3.945 -4.723 1.00 13.11 N ATOM 0 H HIS A 134 -11.921 2.948 -2.967 1.00 41.33 H new ATOM 0 HA HIS A 134 -12.155 1.448 -5.350 1.00 45.24 H new ATOM 0 HB2 HIS A 134 -11.317 4.346 -4.910 1.00 24.44 H new ATOM 0 HB3 HIS A 134 -11.857 3.666 -6.433 1.00 24.44 H new ATOM 0 HD2 HIS A 134 -14.665 2.621 -6.214 1.00 20.52 H new ATOM 0 HE1 HIS A 134 -15.626 5.401 -3.162 1.00 54.01 H new ATOM 0 HE2 HIS A 134 -16.570 3.751 -4.845 1.00 13.11 H new ATOM 2184 N HIS A 135 -9.936 0.757 -6.144 1.00 44.12 N ATOM 2185 CA HIS A 135 -8.662 0.020 -6.332 1.00 42.12 C ATOM 2186 C HIS A 135 -7.854 0.456 -7.593 1.00 24.23 C ATOM 2187 O HIS A 135 -6.715 0.007 -7.779 1.00 63.41 O ATOM 2188 CB HIS A 135 -8.992 -1.504 -6.370 1.00 54.20 C ATOM 2189 CG HIS A 135 -7.797 -2.423 -6.318 1.00 35.43 C ATOM 2190 ND1 HIS A 135 -7.409 -3.212 -7.379 1.00 4.31 N ATOM 2191 CD2 HIS A 135 -6.895 -2.659 -5.334 1.00 72.51 C ATOM 2192 CE1 HIS A 135 -6.337 -3.890 -7.054 1.00 13.31 C ATOM 2193 NE2 HIS A 135 -5.999 -3.574 -5.825 1.00 22.52 N ATOM 0 H HIS A 135 -10.719 0.352 -6.658 1.00 44.12 H new ATOM 0 HA HIS A 135 -8.007 0.258 -5.494 1.00 42.12 H new ATOM 0 HB2 HIS A 135 -9.647 -1.738 -5.531 1.00 54.20 H new ATOM 0 HB3 HIS A 135 -9.553 -1.715 -7.280 1.00 54.20 H new ATOM 0 HD2 HIS A 135 -6.884 -2.212 -4.351 1.00 72.51 H new ATOM 0 HE1 HIS A 135 -5.818 -4.592 -7.690 1.00 13.31 H new ATOM 0 HE2 HIS A 135 -5.198 -3.949 -5.317 1.00 22.52 H new ATOM 2202 N HIS A 136 -8.413 1.339 -8.448 1.00 42.03 N ATOM 2203 CA HIS A 136 -7.722 1.774 -9.696 1.00 25.43 C ATOM 2204 C HIS A 136 -8.026 3.247 -10.050 1.00 34.52 C ATOM 2205 O HIS A 136 -9.148 3.618 -10.400 1.00 33.33 O ATOM 2206 CB HIS A 136 -8.066 0.807 -10.872 1.00 34.12 C ATOM 2207 CG HIS A 136 -9.530 0.717 -11.229 1.00 41.20 C ATOM 2208 ND1 HIS A 136 -10.081 1.354 -12.323 1.00 25.34 N ATOM 2209 CD2 HIS A 136 -10.555 0.045 -10.645 1.00 10.25 C ATOM 2210 CE1 HIS A 136 -11.367 1.084 -12.394 1.00 15.52 C ATOM 2211 NE2 HIS A 136 -11.677 0.292 -11.394 1.00 4.54 N ATOM 0 H HIS A 136 -9.329 1.764 -8.306 1.00 42.03 H new ATOM 0 HA HIS A 136 -6.648 1.723 -9.518 1.00 25.43 H new ATOM 0 HB2 HIS A 136 -7.513 1.126 -11.756 1.00 34.12 H new ATOM 0 HB3 HIS A 136 -7.710 -0.191 -10.616 1.00 34.12 H new ATOM 0 HD2 HIS A 136 -10.498 -0.568 -9.758 1.00 10.25 H new ATOM 0 HE1 HIS A 136 -12.050 1.451 -13.146 1.00 15.52 H new ATOM 0 HE2 HIS A 136 -12.607 -0.081 -11.204 1.00 4.54 H new TER 2220 HIS A 136