USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 912 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 68 HIS : no HE2:sc= 0.861 K(o=-1.4,f=-10!) USER MOD Set 1.2: A 71 GLN : amide:sc= -2.3! K(o=-1.4!,f=-4.3) USER MOD Single : A 9 LYS NZ :NH3+ -160:sc= 1.21 (180deg=1.05) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00837 USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= -0.0107 (180deg=-0.151) USER MOD Single : A 21 THR OG1 : rot -29:sc= 0.747 USER MOD Single : A 24 LYS NZ :NH3+ -151:sc= 1.28 (180deg=0.592) USER MOD Single : A 25 LYS NZ :NH3+ 137:sc= -1.44 (180deg=-3.87!) USER MOD Single : A 32 ASN : amide:sc=-0.00186 X(o=-0.0019,f=-0.22) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 1.09 (180deg=0.93) USER MOD Single : A 38 ASN : amide:sc= -0.333 K(o=-0.33,f=-1.4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-0.42) USER MOD Single : A 44 TYR OH : rot 29:sc= 0.12 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -140:sc= 0 USER MOD Single : A 51 THR OG1 : rot -24:sc= 0.818 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 89:sc= 0.00942 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -115:sc= 0.74 (180deg=0) USER MOD Single : A 81 CYS SG : rot -22:sc= -5.64! USER MOD Single : A 83 SER OG : rot -113:sc= 0.455 USER MOD Single : A 84 SER OG : rot -4:sc= 0.193 USER MOD Single : A 85 MET CE :methyl -156:sc= -1.58 (180deg=-2.97!) USER MOD Single : A 87 LYS NZ :NH3+ -172:sc=-0.00231 (180deg=-0.053) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 152:sc= 2.45 (180deg=1.89) USER MOD Single : A 91 CYS SG : rot 102:sc= 0.282 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 98 MET CE :methyl 159:sc= -0.111 (180deg=-0.664) USER MOD Single : A 99 TYR OH : rot 150:sc= -0.0987 USER MOD Single : A 101 TYR OH : rot -165:sc= 1.24 USER MOD Single : A 109 SER OG : rot -28:sc= 0.552 USER MOD Single : A 113 ASN : amide:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= -0.0811 USER MOD ----------------------------------------------------------------- ATOM 95 N PHE A 7 15.820 -1.168 1.595 1.00 0.87 N ATOM 96 CA PHE A 7 16.692 -1.714 2.624 1.00 0.77 C ATOM 97 C PHE A 7 18.082 -1.121 2.486 1.00 0.72 C ATOM 98 O PHE A 7 18.703 -1.206 1.424 1.00 0.87 O ATOM 99 CB PHE A 7 16.765 -3.241 2.555 1.00 0.77 C ATOM 100 CG PHE A 7 15.495 -3.927 2.973 1.00 1.61 C ATOM 101 CD1 PHE A 7 15.120 -3.956 4.307 1.00 2.72 C ATOM 102 CD2 PHE A 7 14.681 -4.550 2.039 1.00 1.82 C ATOM 103 CE1 PHE A 7 13.955 -4.590 4.699 1.00 3.60 C ATOM 104 CE2 PHE A 7 13.519 -5.186 2.425 1.00 2.63 C ATOM 105 CZ PHE A 7 13.155 -5.207 3.758 1.00 3.44 C ATOM 0 HA PHE A 7 16.273 -1.447 3.594 1.00 0.77 H new ATOM 0 HB2 PHE A 7 17.009 -3.538 1.535 1.00 0.77 H new ATOM 0 HB3 PHE A 7 17.580 -3.586 3.191 1.00 0.77 H new ATOM 0 HD1 PHE A 7 15.744 -3.479 5.048 1.00 2.72 H new ATOM 0 HD2 PHE A 7 14.960 -4.537 0.996 1.00 1.82 H new ATOM 0 HE1 PHE A 7 13.671 -4.602 5.741 1.00 3.60 H new ATOM 0 HE2 PHE A 7 12.895 -5.667 1.686 1.00 2.63 H new ATOM 0 HZ PHE A 7 12.247 -5.705 4.063 1.00 3.44 H new ATOM 115 N GLU A 8 18.553 -0.494 3.548 1.00 0.72 N ATOM 116 CA GLU A 8 19.863 0.130 3.545 1.00 0.76 C ATOM 117 C GLU A 8 20.965 -0.924 3.624 1.00 0.62 C ATOM 118 O GLU A 8 20.755 -2.034 4.120 1.00 0.61 O ATOM 119 CB GLU A 8 19.984 1.121 4.709 1.00 1.01 C ATOM 120 CG GLU A 8 21.243 1.975 4.656 1.00 1.20 C ATOM 121 CD GLU A 8 21.366 2.739 3.354 1.00 1.97 C ATOM 122 OE1 GLU A 8 21.820 2.145 2.354 1.00 2.71 O ATOM 123 OE2 GLU A 8 21.010 3.935 3.325 1.00 2.22 O ATOM 0 H GLU A 8 18.045 -0.403 4.428 1.00 0.72 H new ATOM 0 HA GLU A 8 19.981 0.676 2.609 1.00 0.76 H new ATOM 0 HB2 GLU A 8 19.112 1.775 4.710 1.00 1.01 H new ATOM 0 HB3 GLU A 8 19.970 0.568 5.648 1.00 1.01 H new ATOM 0 HG2 GLU A 8 21.237 2.679 5.488 1.00 1.20 H new ATOM 0 HG3 GLU A 8 22.118 1.337 4.784 1.00 1.20 H new ATOM 130 N LYS A 9 22.132 -0.575 3.112 1.00 0.60 N ATOM 131 CA LYS A 9 23.279 -1.460 3.155 1.00 0.53 C ATOM 132 C LYS A 9 24.117 -1.126 4.377 1.00 0.50 C ATOM 133 O LYS A 9 24.121 0.017 4.835 1.00 0.56 O ATOM 134 CB LYS A 9 24.141 -1.324 1.886 1.00 0.63 C ATOM 135 CG LYS A 9 23.396 -1.568 0.575 1.00 0.72 C ATOM 136 CD LYS A 9 22.539 -0.371 0.175 1.00 0.95 C ATOM 137 CE LYS A 9 23.393 0.853 -0.129 1.00 1.49 C ATOM 138 NZ LYS A 9 22.584 2.099 -0.158 1.00 1.88 N ATOM 0 H LYS A 9 22.309 0.322 2.659 1.00 0.60 H new ATOM 0 HA LYS A 9 22.921 -2.488 3.210 1.00 0.53 H new ATOM 0 HB2 LYS A 9 24.571 -0.323 1.862 1.00 0.63 H new ATOM 0 HB3 LYS A 9 24.972 -2.027 1.951 1.00 0.63 H new ATOM 0 HG2 LYS A 9 24.115 -1.780 -0.217 1.00 0.72 H new ATOM 0 HG3 LYS A 9 22.763 -2.450 0.676 1.00 0.72 H new ATOM 0 HD2 LYS A 9 21.943 -0.626 -0.701 1.00 0.95 H new ATOM 0 HD3 LYS A 9 21.841 -0.138 0.979 1.00 0.95 H new ATOM 0 HE2 LYS A 9 24.176 0.946 0.624 1.00 1.49 H new ATOM 0 HE3 LYS A 9 23.889 0.720 -1.090 1.00 1.49 H new ATOM 0 HZ1 LYS A 9 23.098 2.835 -0.684 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 21.674 1.911 -0.625 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 22.413 2.425 0.815 1.00 1.88 H new ATOM 152 N VAL A 10 24.829 -2.104 4.902 1.00 0.46 N ATOM 153 CA VAL A 10 25.675 -1.872 6.056 1.00 0.46 C ATOM 154 C VAL A 10 27.121 -1.737 5.608 1.00 0.48 C ATOM 155 O VAL A 10 27.765 -2.721 5.237 1.00 0.54 O ATOM 156 CB VAL A 10 25.557 -3.008 7.094 1.00 0.51 C ATOM 157 CG1 VAL A 10 26.374 -2.682 8.334 1.00 0.54 C ATOM 158 CG2 VAL A 10 24.102 -3.253 7.463 1.00 0.59 C ATOM 0 H VAL A 10 24.839 -3.061 4.550 1.00 0.46 H new ATOM 0 HA VAL A 10 25.342 -0.950 6.534 1.00 0.46 H new ATOM 0 HB VAL A 10 25.953 -3.920 6.648 1.00 0.51 H new ATOM 0 HG11 VAL A 10 26.280 -3.493 9.056 1.00 0.54 H new ATOM 0 HG12 VAL A 10 27.422 -2.562 8.058 1.00 0.54 H new ATOM 0 HG13 VAL A 10 26.007 -1.757 8.778 1.00 0.54 H new ATOM 0 HG21 VAL A 10 24.043 -4.058 8.196 1.00 0.59 H new ATOM 0 HG22 VAL A 10 23.676 -2.344 7.887 1.00 0.59 H new ATOM 0 HG23 VAL A 10 23.543 -3.533 6.571 1.00 0.59 H new ATOM 168 N GLU A 11 27.608 -0.507 5.614 1.00 0.53 N ATOM 169 CA GLU A 11 28.967 -0.222 5.192 1.00 0.63 C ATOM 170 C GLU A 11 29.927 -0.406 6.353 1.00 0.55 C ATOM 171 O GLU A 11 30.043 0.467 7.214 1.00 0.59 O ATOM 172 CB GLU A 11 29.072 1.201 4.640 1.00 0.88 C ATOM 173 CG GLU A 11 28.248 1.428 3.383 1.00 1.37 C ATOM 174 CD GLU A 11 28.418 2.824 2.819 1.00 1.72 C ATOM 175 OE1 GLU A 11 29.555 3.189 2.461 1.00 2.02 O ATOM 176 OE2 GLU A 11 27.414 3.561 2.722 1.00 2.16 O ATOM 0 H GLU A 11 27.078 0.313 5.908 1.00 0.53 H new ATOM 0 HA GLU A 11 29.235 -0.921 4.399 1.00 0.63 H new ATOM 0 HB2 GLU A 11 28.750 1.904 5.408 1.00 0.88 H new ATOM 0 HB3 GLU A 11 30.117 1.422 4.424 1.00 0.88 H new ATOM 0 HG2 GLU A 11 28.536 0.697 2.627 1.00 1.37 H new ATOM 0 HG3 GLU A 11 27.195 1.256 3.607 1.00 1.37 H new ATOM 183 N LEU A 12 30.590 -1.562 6.369 1.00 0.52 N ATOM 184 CA LEU A 12 31.557 -1.912 7.405 1.00 0.51 C ATOM 185 C LEU A 12 30.868 -2.087 8.754 1.00 0.52 C ATOM 186 O LEU A 12 30.885 -1.191 9.594 1.00 0.61 O ATOM 187 CB LEU A 12 32.668 -0.858 7.514 1.00 0.57 C ATOM 188 CG LEU A 12 33.525 -0.669 6.261 1.00 0.88 C ATOM 189 CD1 LEU A 12 34.523 0.462 6.469 1.00 1.35 C ATOM 190 CD2 LEU A 12 34.250 -1.958 5.912 1.00 1.45 C ATOM 0 H LEU A 12 30.470 -2.285 5.659 1.00 0.52 H new ATOM 0 HA LEU A 12 32.013 -2.859 7.118 1.00 0.51 H new ATOM 0 HB2 LEU A 12 32.213 0.099 7.769 1.00 0.57 H new ATOM 0 HB3 LEU A 12 33.322 -1.130 8.342 1.00 0.57 H new ATOM 0 HG LEU A 12 32.870 -0.407 5.430 1.00 0.88 H new ATOM 0 HD11 LEU A 12 35.126 0.585 5.569 1.00 1.35 H new ATOM 0 HD12 LEU A 12 33.986 1.388 6.675 1.00 1.35 H new ATOM 0 HD13 LEU A 12 35.172 0.224 7.311 1.00 1.35 H new ATOM 0 HD21 LEU A 12 34.855 -1.805 5.018 1.00 1.45 H new ATOM 0 HD22 LEU A 12 34.895 -2.249 6.741 1.00 1.45 H new ATOM 0 HD23 LEU A 12 33.521 -2.747 5.726 1.00 1.45 H new ATOM 202 N THR A 13 30.233 -3.240 8.940 1.00 0.50 N ATOM 203 CA THR A 13 29.604 -3.563 10.211 1.00 0.56 C ATOM 204 C THR A 13 30.663 -3.771 11.290 1.00 0.53 C ATOM 205 O THR A 13 31.815 -4.096 10.992 1.00 0.50 O ATOM 206 CB THR A 13 28.708 -4.821 10.098 1.00 0.68 C ATOM 207 OG1 THR A 13 28.083 -5.108 11.356 1.00 0.78 O ATOM 208 CG2 THR A 13 29.507 -6.031 9.642 1.00 0.69 C ATOM 0 H THR A 13 30.142 -3.963 8.227 1.00 0.50 H new ATOM 0 HA THR A 13 28.969 -2.721 10.489 1.00 0.56 H new ATOM 0 HB THR A 13 27.942 -4.610 9.352 1.00 0.68 H new ATOM 0 HG1 THR A 13 27.519 -5.905 11.267 1.00 0.78 H new ATOM 0 HG21 THR A 13 28.849 -6.897 9.573 1.00 0.69 H new ATOM 0 HG22 THR A 13 29.946 -5.830 8.665 1.00 0.69 H new ATOM 0 HG23 THR A 13 30.300 -6.235 10.361 1.00 0.69 H new ATOM 216 N ALA A 14 30.269 -3.584 12.542 1.00 0.61 N ATOM 217 CA ALA A 14 31.181 -3.713 13.668 1.00 0.66 C ATOM 218 C ALA A 14 31.725 -5.135 13.801 1.00 0.69 C ATOM 219 O ALA A 14 32.774 -5.352 14.404 1.00 0.79 O ATOM 220 CB ALA A 14 30.477 -3.298 14.948 1.00 0.81 C ATOM 0 H ALA A 14 29.314 -3.340 12.804 1.00 0.61 H new ATOM 0 HA ALA A 14 32.031 -3.055 13.488 1.00 0.66 H new ATOM 0 HB1 ALA A 14 31.163 -3.396 15.789 1.00 0.81 H new ATOM 0 HB2 ALA A 14 30.151 -2.261 14.864 1.00 0.81 H new ATOM 0 HB3 ALA A 14 29.610 -3.939 15.111 1.00 0.81 H new ATOM 226 N ASP A 15 31.032 -6.096 13.210 1.00 0.71 N ATOM 227 CA ASP A 15 31.383 -7.502 13.375 1.00 0.85 C ATOM 228 C ASP A 15 32.441 -7.949 12.358 1.00 0.74 C ATOM 229 O ASP A 15 32.487 -9.111 11.967 1.00 0.86 O ATOM 230 CB ASP A 15 30.124 -8.370 13.271 1.00 1.08 C ATOM 231 CG ASP A 15 30.313 -9.766 13.842 1.00 1.69 C ATOM 232 OD1 ASP A 15 30.941 -9.898 14.923 1.00 1.87 O ATOM 233 OD2 ASP A 15 29.829 -10.735 13.226 1.00 2.40 O ATOM 0 H ASP A 15 30.223 -5.930 12.611 1.00 0.71 H new ATOM 0 HA ASP A 15 31.820 -7.627 14.366 1.00 0.85 H new ATOM 0 HB2 ASP A 15 29.306 -7.877 13.796 1.00 1.08 H new ATOM 0 HB3 ASP A 15 29.830 -8.449 12.224 1.00 1.08 H new ATOM 238 N GLY A 16 33.311 -7.030 11.952 1.00 0.64 N ATOM 239 CA GLY A 16 34.412 -7.405 11.083 1.00 0.68 C ATOM 240 C GLY A 16 34.470 -6.639 9.770 1.00 0.57 C ATOM 241 O GLY A 16 35.224 -7.014 8.873 1.00 0.63 O ATOM 0 H GLY A 16 33.275 -6.043 12.206 1.00 0.64 H new ATOM 0 HA2 GLY A 16 35.349 -7.253 11.619 1.00 0.68 H new ATOM 0 HA3 GLY A 16 34.339 -8.470 10.864 1.00 0.68 H new ATOM 245 N GLY A 17 33.680 -5.575 9.654 1.00 0.54 N ATOM 246 CA GLY A 17 33.826 -4.645 8.541 1.00 0.52 C ATOM 247 C GLY A 17 33.612 -5.265 7.166 1.00 0.46 C ATOM 248 O GLY A 17 34.535 -5.318 6.350 1.00 0.61 O ATOM 0 H GLY A 17 32.938 -5.337 10.312 1.00 0.54 H new ATOM 0 HA2 GLY A 17 33.116 -3.828 8.671 1.00 0.52 H new ATOM 0 HA3 GLY A 17 34.824 -4.209 8.577 1.00 0.52 H new ATOM 252 N VAL A 18 32.402 -5.730 6.904 1.00 0.36 N ATOM 253 CA VAL A 18 32.043 -6.221 5.575 1.00 0.34 C ATOM 254 C VAL A 18 30.776 -5.524 5.086 1.00 0.32 C ATOM 255 O VAL A 18 29.918 -5.161 5.891 1.00 0.36 O ATOM 256 CB VAL A 18 31.852 -7.760 5.563 1.00 0.40 C ATOM 257 CG1 VAL A 18 31.282 -8.244 4.234 1.00 0.47 C ATOM 258 CG2 VAL A 18 33.174 -8.450 5.842 1.00 0.49 C ATOM 0 H VAL A 18 31.649 -5.780 7.590 1.00 0.36 H new ATOM 0 HA VAL A 18 32.866 -5.989 4.899 1.00 0.34 H new ATOM 0 HB VAL A 18 31.137 -8.014 6.346 1.00 0.40 H new ATOM 0 HG11 VAL A 18 31.162 -9.327 4.262 1.00 0.47 H new ATOM 0 HG12 VAL A 18 30.313 -7.776 4.062 1.00 0.47 H new ATOM 0 HG13 VAL A 18 31.963 -7.976 3.427 1.00 0.47 H new ATOM 0 HG21 VAL A 18 33.030 -9.530 5.832 1.00 0.49 H new ATOM 0 HG22 VAL A 18 33.898 -8.173 5.076 1.00 0.49 H new ATOM 0 HG23 VAL A 18 33.545 -8.143 6.820 1.00 0.49 H new ATOM 268 N ILE A 19 30.676 -5.318 3.778 1.00 0.31 N ATOM 269 CA ILE A 19 29.522 -4.654 3.187 1.00 0.31 C ATOM 270 C ILE A 19 28.415 -5.673 2.930 1.00 0.30 C ATOM 271 O ILE A 19 28.555 -6.545 2.072 1.00 0.30 O ATOM 272 CB ILE A 19 29.885 -3.973 1.844 1.00 0.34 C ATOM 273 CG1 ILE A 19 31.166 -3.134 1.969 1.00 0.41 C ATOM 274 CG2 ILE A 19 28.729 -3.109 1.352 1.00 0.36 C ATOM 275 CD1 ILE A 19 31.064 -1.986 2.947 1.00 0.47 C ATOM 0 H ILE A 19 31.386 -5.604 3.103 1.00 0.31 H new ATOM 0 HA ILE A 19 29.186 -3.891 3.889 1.00 0.31 H new ATOM 0 HB ILE A 19 30.071 -4.760 1.113 1.00 0.34 H new ATOM 0 HG12 ILE A 19 31.985 -3.785 2.275 1.00 0.41 H new ATOM 0 HG13 ILE A 19 31.424 -2.738 0.987 1.00 0.41 H new ATOM 0 HG21 ILE A 19 29.003 -2.639 0.407 1.00 0.36 H new ATOM 0 HG22 ILE A 19 27.846 -3.731 1.205 1.00 0.36 H new ATOM 0 HG23 ILE A 19 28.511 -2.338 2.091 1.00 0.36 H new ATOM 0 HD11 ILE A 19 32.011 -1.446 2.974 1.00 0.47 H new ATOM 0 HD12 ILE A 19 30.269 -1.310 2.632 1.00 0.47 H new ATOM 0 HD13 ILE A 19 30.839 -2.373 3.941 1.00 0.47 H new ATOM 287 N LYS A 20 27.330 -5.575 3.675 1.00 0.33 N ATOM 288 CA LYS A 20 26.228 -6.508 3.508 1.00 0.37 C ATOM 289 C LYS A 20 24.889 -5.795 3.656 1.00 0.33 C ATOM 290 O LYS A 20 24.769 -4.825 4.399 1.00 0.37 O ATOM 291 CB LYS A 20 26.342 -7.674 4.499 1.00 0.53 C ATOM 292 CG LYS A 20 26.122 -7.295 5.957 1.00 0.59 C ATOM 293 CD LYS A 20 26.468 -8.458 6.871 1.00 0.76 C ATOM 294 CE LYS A 20 25.990 -8.225 8.296 1.00 0.83 C ATOM 295 NZ LYS A 20 24.505 -8.265 8.407 1.00 1.34 N ATOM 0 H LYS A 20 27.187 -4.867 4.395 1.00 0.33 H new ATOM 0 HA LYS A 20 26.282 -6.919 2.500 1.00 0.37 H new ATOM 0 HB2 LYS A 20 25.616 -8.439 4.223 1.00 0.53 H new ATOM 0 HB3 LYS A 20 27.331 -8.122 4.400 1.00 0.53 H new ATOM 0 HG2 LYS A 20 26.737 -6.431 6.210 1.00 0.59 H new ATOM 0 HG3 LYS A 20 25.083 -7.003 6.109 1.00 0.59 H new ATOM 0 HD2 LYS A 20 26.017 -9.371 6.482 1.00 0.76 H new ATOM 0 HD3 LYS A 20 27.547 -8.610 6.871 1.00 0.76 H new ATOM 0 HE2 LYS A 20 26.422 -8.982 8.950 1.00 0.83 H new ATOM 0 HE3 LYS A 20 26.352 -7.258 8.645 1.00 0.83 H new ATOM 0 HZ1 LYS A 20 24.234 -8.340 9.408 1.00 1.34 H new ATOM 0 HZ2 LYS A 20 24.103 -7.395 8.003 1.00 1.34 H new ATOM 0 HZ3 LYS A 20 24.140 -9.088 7.887 1.00 1.34 H new ATOM 309 N THR A 21 23.899 -6.261 2.918 1.00 0.34 N ATOM 310 CA THR A 21 22.568 -5.686 2.955 1.00 0.36 C ATOM 311 C THR A 21 21.639 -6.571 3.781 1.00 0.36 C ATOM 312 O THR A 21 21.620 -7.792 3.610 1.00 0.40 O ATOM 313 CB THR A 21 22.009 -5.536 1.528 1.00 0.44 C ATOM 314 OG1 THR A 21 23.015 -4.953 0.682 1.00 0.49 O ATOM 315 CG2 THR A 21 20.764 -4.661 1.516 1.00 0.50 C ATOM 0 H THR A 21 23.995 -7.048 2.277 1.00 0.34 H new ATOM 0 HA THR A 21 22.629 -4.700 3.416 1.00 0.36 H new ATOM 0 HB THR A 21 21.735 -6.524 1.158 1.00 0.44 H new ATOM 0 HG1 THR A 21 23.601 -4.379 1.218 1.00 0.49 H new ATOM 0 HG21 THR A 21 20.391 -4.573 0.496 1.00 0.50 H new ATOM 0 HG22 THR A 21 19.996 -5.112 2.145 1.00 0.50 H new ATOM 0 HG23 THR A 21 21.011 -3.671 1.899 1.00 0.50 H new ATOM 323 N ILE A 22 20.896 -5.961 4.690 1.00 0.40 N ATOM 324 CA ILE A 22 19.953 -6.691 5.525 1.00 0.43 C ATOM 325 C ILE A 22 18.563 -6.671 4.892 1.00 0.44 C ATOM 326 O ILE A 22 18.010 -5.609 4.619 1.00 0.55 O ATOM 327 CB ILE A 22 19.909 -6.106 6.963 1.00 0.56 C ATOM 328 CG1 ILE A 22 18.835 -6.795 7.818 1.00 0.63 C ATOM 329 CG2 ILE A 22 19.692 -4.598 6.938 1.00 0.67 C ATOM 330 CD1 ILE A 22 19.118 -8.257 8.096 1.00 0.66 C ATOM 0 H ILE A 22 20.927 -4.957 4.870 1.00 0.40 H new ATOM 0 HA ILE A 22 20.290 -7.725 5.597 1.00 0.43 H new ATOM 0 HB ILE A 22 20.878 -6.302 7.422 1.00 0.56 H new ATOM 0 HG12 ILE A 22 18.745 -6.266 8.766 1.00 0.63 H new ATOM 0 HG13 ILE A 22 17.873 -6.711 7.313 1.00 0.63 H new ATOM 0 HG21 ILE A 22 19.666 -4.217 7.959 1.00 0.67 H new ATOM 0 HG22 ILE A 22 20.508 -4.122 6.394 1.00 0.67 H new ATOM 0 HG23 ILE A 22 18.747 -4.375 6.443 1.00 0.67 H new ATOM 0 HD11 ILE A 22 18.316 -8.674 8.705 1.00 0.66 H new ATOM 0 HD12 ILE A 22 19.179 -8.801 7.154 1.00 0.66 H new ATOM 0 HD13 ILE A 22 20.064 -8.349 8.630 1.00 0.66 H new ATOM 342 N LEU A 23 18.018 -7.853 4.628 1.00 0.41 N ATOM 343 CA LEU A 23 16.701 -7.958 4.012 1.00 0.47 C ATOM 344 C LEU A 23 15.715 -8.604 4.974 1.00 0.50 C ATOM 345 O LEU A 23 14.927 -7.925 5.632 1.00 0.67 O ATOM 346 CB LEU A 23 16.743 -8.773 2.707 1.00 0.54 C ATOM 347 CG LEU A 23 17.562 -8.187 1.548 1.00 0.53 C ATOM 348 CD1 LEU A 23 17.219 -6.725 1.320 1.00 0.83 C ATOM 349 CD2 LEU A 23 19.050 -8.359 1.791 1.00 0.64 C ATOM 0 H LEU A 23 18.465 -8.747 4.830 1.00 0.41 H new ATOM 0 HA LEU A 23 16.376 -6.945 3.774 1.00 0.47 H new ATOM 0 HB2 LEU A 23 17.140 -9.762 2.937 1.00 0.54 H new ATOM 0 HB3 LEU A 23 15.719 -8.913 2.362 1.00 0.54 H new ATOM 0 HG LEU A 23 17.301 -8.739 0.645 1.00 0.53 H new ATOM 0 HD11 LEU A 23 17.814 -6.336 0.494 1.00 0.83 H new ATOM 0 HD12 LEU A 23 16.160 -6.633 1.079 1.00 0.83 H new ATOM 0 HD13 LEU A 23 17.437 -6.155 2.223 1.00 0.83 H new ATOM 0 HD21 LEU A 23 19.607 -7.935 0.955 1.00 0.64 H new ATOM 0 HD22 LEU A 23 19.330 -7.846 2.711 1.00 0.64 H new ATOM 0 HD23 LEU A 23 19.284 -9.420 1.882 1.00 0.64 H new ATOM 361 N LYS A 24 15.793 -9.923 5.073 1.00 0.49 N ATOM 362 CA LYS A 24 14.872 -10.685 5.896 1.00 0.60 C ATOM 363 C LYS A 24 15.434 -10.819 7.305 1.00 0.60 C ATOM 364 O LYS A 24 16.408 -11.537 7.528 1.00 0.76 O ATOM 365 CB LYS A 24 14.634 -12.063 5.266 1.00 0.78 C ATOM 366 CG LYS A 24 13.165 -12.451 5.169 1.00 1.05 C ATOM 367 CD LYS A 24 12.560 -12.707 6.538 1.00 1.11 C ATOM 368 CE LYS A 24 13.267 -13.848 7.251 1.00 1.12 C ATOM 369 NZ LYS A 24 12.590 -14.210 8.521 1.00 1.56 N ATOM 0 H LYS A 24 16.490 -10.489 4.589 1.00 0.49 H new ATOM 0 HA LYS A 24 13.916 -10.165 5.955 1.00 0.60 H new ATOM 0 HB2 LYS A 24 15.070 -12.075 4.267 1.00 0.78 H new ATOM 0 HB3 LYS A 24 15.161 -12.816 5.853 1.00 0.78 H new ATOM 0 HG2 LYS A 24 12.611 -11.656 4.669 1.00 1.05 H new ATOM 0 HG3 LYS A 24 13.065 -13.345 4.554 1.00 1.05 H new ATOM 0 HD2 LYS A 24 12.626 -11.802 7.142 1.00 1.11 H new ATOM 0 HD3 LYS A 24 11.501 -12.943 6.431 1.00 1.11 H new ATOM 0 HE2 LYS A 24 13.302 -14.719 6.597 1.00 1.12 H new ATOM 0 HE3 LYS A 24 14.299 -13.563 7.458 1.00 1.12 H new ATOM 0 HZ1 LYS A 24 13.289 -14.591 9.191 1.00 1.56 H new ATOM 0 HZ2 LYS A 24 12.144 -13.364 8.930 1.00 1.56 H new ATOM 0 HZ3 LYS A 24 11.862 -14.929 8.334 1.00 1.56 H new ATOM 383 N LYS A 25 14.817 -10.116 8.243 1.00 0.61 N ATOM 384 CA LYS A 25 15.329 -10.024 9.602 1.00 0.64 C ATOM 385 C LYS A 25 15.131 -11.321 10.372 1.00 0.72 C ATOM 386 O LYS A 25 14.163 -12.052 10.151 1.00 0.90 O ATOM 387 CB LYS A 25 14.623 -8.900 10.362 1.00 0.76 C ATOM 388 CG LYS A 25 14.601 -7.570 9.633 1.00 1.52 C ATOM 389 CD LYS A 25 13.975 -6.467 10.480 1.00 1.72 C ATOM 390 CE LYS A 25 12.460 -6.612 10.627 1.00 2.60 C ATOM 391 NZ LYS A 25 12.054 -7.730 11.531 1.00 2.95 N ATOM 0 H LYS A 25 13.953 -9.597 8.085 1.00 0.61 H new ATOM 0 HA LYS A 25 16.397 -9.819 9.524 1.00 0.64 H new ATOM 0 HB2 LYS A 25 13.597 -9.205 10.567 1.00 0.76 H new ATOM 0 HB3 LYS A 25 15.114 -8.765 11.326 1.00 0.76 H new ATOM 0 HG2 LYS A 25 15.618 -7.287 9.363 1.00 1.52 H new ATOM 0 HG3 LYS A 25 14.042 -7.675 8.703 1.00 1.52 H new ATOM 0 HD2 LYS A 25 14.432 -6.473 11.469 1.00 1.72 H new ATOM 0 HD3 LYS A 25 14.200 -5.500 10.030 1.00 1.72 H new ATOM 0 HE2 LYS A 25 12.049 -5.678 11.010 1.00 2.60 H new ATOM 0 HE3 LYS A 25 12.021 -6.774 9.642 1.00 2.60 H new ATOM 0 HZ1 LYS A 25 11.280 -7.413 12.149 1.00 2.95 H new ATOM 0 HZ2 LYS A 25 11.732 -8.538 10.961 1.00 2.95 H new ATOM 0 HZ3 LYS A 25 12.866 -8.018 12.113 1.00 2.95 H new ATOM 405 N GLY A 26 16.066 -11.601 11.266 1.00 0.69 N ATOM 406 CA GLY A 26 15.878 -12.647 12.241 1.00 0.85 C ATOM 407 C GLY A 26 15.274 -12.077 13.503 1.00 0.88 C ATOM 408 O GLY A 26 15.997 -11.655 14.404 1.00 1.32 O ATOM 0 H GLY A 26 16.960 -11.115 11.331 1.00 0.69 H new ATOM 0 HA2 GLY A 26 15.227 -13.421 11.834 1.00 0.85 H new ATOM 0 HA3 GLY A 26 16.834 -13.120 12.467 1.00 0.85 H new ATOM 412 N ASP A 27 13.943 -12.043 13.538 1.00 0.84 N ATOM 413 CA ASP A 27 13.185 -11.369 14.596 1.00 1.01 C ATOM 414 C ASP A 27 13.656 -11.752 15.995 1.00 0.93 C ATOM 415 O ASP A 27 13.797 -10.890 16.863 1.00 1.24 O ATOM 416 CB ASP A 27 11.691 -11.666 14.445 1.00 1.33 C ATOM 417 CG ASP A 27 11.123 -11.103 13.157 1.00 2.08 C ATOM 418 OD1 ASP A 27 11.265 -11.754 12.104 1.00 2.77 O ATOM 419 OD2 ASP A 27 10.522 -10.008 13.198 1.00 2.38 O ATOM 0 H ASP A 27 13.355 -12.484 12.831 1.00 0.84 H new ATOM 0 HA ASP A 27 13.362 -10.300 14.482 1.00 1.01 H new ATOM 0 HB2 ASP A 27 11.532 -12.744 14.470 1.00 1.33 H new ATOM 0 HB3 ASP A 27 11.151 -11.245 15.293 1.00 1.33 H new ATOM 424 N GLU A 28 13.907 -13.029 16.217 1.00 0.91 N ATOM 425 CA GLU A 28 14.363 -13.489 17.522 1.00 0.91 C ATOM 426 C GLU A 28 15.415 -14.582 17.371 1.00 0.96 C ATOM 427 O GLU A 28 15.358 -15.393 16.443 1.00 1.22 O ATOM 428 CB GLU A 28 13.179 -13.992 18.348 1.00 1.11 C ATOM 429 CG GLU A 28 12.504 -15.217 17.761 1.00 1.59 C ATOM 430 CD GLU A 28 11.182 -15.529 18.420 1.00 2.09 C ATOM 431 OE1 GLU A 28 10.141 -15.012 17.957 1.00 2.64 O ATOM 432 OE2 GLU A 28 11.170 -16.300 19.395 1.00 2.56 O ATOM 0 H GLU A 28 13.805 -13.764 15.518 1.00 0.91 H new ATOM 0 HA GLU A 28 14.820 -12.649 18.045 1.00 0.91 H new ATOM 0 HB2 GLU A 28 13.523 -14.225 19.356 1.00 1.11 H new ATOM 0 HB3 GLU A 28 12.445 -13.192 18.439 1.00 1.11 H new ATOM 0 HG2 GLU A 28 12.345 -15.062 16.694 1.00 1.59 H new ATOM 0 HG3 GLU A 28 13.167 -16.076 17.863 1.00 1.59 H new ATOM 439 N GLY A 29 16.385 -14.580 18.272 1.00 0.88 N ATOM 440 CA GLY A 29 17.410 -15.603 18.266 1.00 1.04 C ATOM 441 C GLY A 29 18.425 -15.382 19.365 1.00 0.79 C ATOM 442 O GLY A 29 19.624 -15.365 19.111 1.00 0.90 O ATOM 0 H GLY A 29 16.481 -13.884 19.011 1.00 0.88 H new ATOM 0 HA2 GLY A 29 16.948 -16.582 18.389 1.00 1.04 H new ATOM 0 HA3 GLY A 29 17.914 -15.607 17.300 1.00 1.04 H new ATOM 446 N GLU A 30 17.929 -15.215 20.588 1.00 0.73 N ATOM 447 CA GLU A 30 18.779 -14.893 21.741 1.00 0.80 C ATOM 448 C GLU A 30 19.960 -15.861 21.891 1.00 0.78 C ATOM 449 O GLU A 30 21.100 -15.438 22.092 1.00 0.96 O ATOM 450 CB GLU A 30 17.922 -14.919 23.014 1.00 1.08 C ATOM 451 CG GLU A 30 18.718 -14.790 24.305 1.00 1.35 C ATOM 452 CD GLU A 30 19.307 -13.410 24.501 1.00 1.68 C ATOM 453 OE1 GLU A 30 20.155 -13.006 23.690 1.00 2.29 O ATOM 454 OE2 GLU A 30 18.926 -12.722 25.468 1.00 1.89 O ATOM 0 H GLU A 30 16.937 -15.297 20.811 1.00 0.73 H new ATOM 0 HA GLU A 30 19.200 -13.901 21.579 1.00 0.80 H new ATOM 0 HB2 GLU A 30 17.195 -14.108 22.966 1.00 1.08 H new ATOM 0 HB3 GLU A 30 17.358 -15.851 23.040 1.00 1.08 H new ATOM 0 HG2 GLU A 30 18.071 -15.026 25.150 1.00 1.35 H new ATOM 0 HG3 GLU A 30 19.522 -15.526 24.304 1.00 1.35 H new ATOM 461 N GLU A 31 19.692 -17.149 21.776 1.00 0.76 N ATOM 462 CA GLU A 31 20.743 -18.156 21.882 1.00 0.86 C ATOM 463 C GLU A 31 20.870 -18.953 20.588 1.00 0.78 C ATOM 464 O GLU A 31 21.285 -20.109 20.596 1.00 1.11 O ATOM 465 CB GLU A 31 20.496 -19.067 23.090 1.00 1.09 C ATOM 466 CG GLU A 31 19.126 -19.712 23.126 1.00 1.56 C ATOM 467 CD GLU A 31 18.850 -20.374 24.461 1.00 2.17 C ATOM 468 OE1 GLU A 31 19.645 -21.245 24.872 1.00 2.64 O ATOM 469 OE2 GLU A 31 17.839 -20.034 25.106 1.00 2.54 O ATOM 0 H GLU A 31 18.759 -17.526 21.610 1.00 0.76 H new ATOM 0 HA GLU A 31 21.694 -17.647 22.041 1.00 0.86 H new ATOM 0 HB2 GLU A 31 21.252 -19.852 23.097 1.00 1.09 H new ATOM 0 HB3 GLU A 31 20.633 -18.485 24.001 1.00 1.09 H new ATOM 0 HG2 GLU A 31 18.364 -18.958 22.930 1.00 1.56 H new ATOM 0 HG3 GLU A 31 19.052 -20.454 22.331 1.00 1.56 H new ATOM 476 N ASN A 32 20.508 -18.327 19.475 1.00 0.51 N ATOM 477 CA ASN A 32 20.556 -18.987 18.177 1.00 0.55 C ATOM 478 C ASN A 32 21.305 -18.126 17.164 1.00 0.49 C ATOM 479 O ASN A 32 20.688 -17.438 16.346 1.00 0.57 O ATOM 480 CB ASN A 32 19.139 -19.289 17.669 1.00 0.71 C ATOM 481 CG ASN A 32 18.550 -20.543 18.287 1.00 0.95 C ATOM 482 OD1 ASN A 32 18.729 -21.646 17.774 1.00 1.45 O ATOM 483 ND2 ASN A 32 17.831 -20.381 19.386 1.00 1.19 N ATOM 0 H ASN A 32 20.178 -17.362 19.446 1.00 0.51 H new ATOM 0 HA ASN A 32 21.090 -19.930 18.296 1.00 0.55 H new ATOM 0 HB2 ASN A 32 18.490 -18.441 17.889 1.00 0.71 H new ATOM 0 HB3 ASN A 32 19.162 -19.400 16.585 1.00 0.71 H new ATOM 0 HD21 ASN A 32 17.402 -21.188 19.838 1.00 1.19 H new ATOM 0 HD22 ASN A 32 17.706 -19.449 19.781 1.00 1.19 H new ATOM 490 N ILE A 33 22.635 -18.151 17.242 1.00 0.47 N ATOM 491 CA ILE A 33 23.484 -17.356 16.357 1.00 0.51 C ATOM 492 C ILE A 33 24.584 -18.220 15.725 1.00 0.44 C ATOM 493 O ILE A 33 25.361 -18.867 16.431 1.00 0.47 O ATOM 494 CB ILE A 33 24.153 -16.184 17.125 1.00 0.66 C ATOM 495 CG1 ILE A 33 23.096 -15.293 17.792 1.00 0.74 C ATOM 496 CG2 ILE A 33 25.024 -15.357 16.187 1.00 0.76 C ATOM 497 CD1 ILE A 33 22.192 -14.576 16.813 1.00 0.81 C ATOM 0 H ILE A 33 23.151 -18.718 17.915 1.00 0.47 H new ATOM 0 HA ILE A 33 22.840 -16.956 15.574 1.00 0.51 H new ATOM 0 HB ILE A 33 24.785 -16.609 17.905 1.00 0.66 H new ATOM 0 HG12 ILE A 33 22.484 -15.905 18.455 1.00 0.74 H new ATOM 0 HG13 ILE A 33 23.599 -14.554 18.415 1.00 0.74 H new ATOM 0 HG21 ILE A 33 25.484 -14.540 16.743 1.00 0.76 H new ATOM 0 HG22 ILE A 33 25.802 -15.990 15.761 1.00 0.76 H new ATOM 0 HG23 ILE A 33 24.409 -14.948 15.385 1.00 0.76 H new ATOM 0 HD11 ILE A 33 21.473 -13.967 17.361 1.00 0.81 H new ATOM 0 HD12 ILE A 33 22.792 -13.936 16.166 1.00 0.81 H new ATOM 0 HD13 ILE A 33 21.660 -15.308 16.206 1.00 0.81 H new ATOM 509 N PRO A 34 24.666 -18.238 14.385 1.00 0.46 N ATOM 510 CA PRO A 34 25.721 -18.962 13.664 1.00 0.44 C ATOM 511 C PRO A 34 27.099 -18.324 13.893 1.00 0.52 C ATOM 512 O PRO A 34 27.343 -17.199 13.455 1.00 0.75 O ATOM 513 CB PRO A 34 25.309 -18.821 12.199 1.00 0.51 C ATOM 514 CG PRO A 34 24.468 -17.594 12.157 1.00 0.54 C ATOM 515 CD PRO A 34 23.744 -17.547 13.471 1.00 0.62 C ATOM 0 HA PRO A 34 25.815 -19.997 13.993 1.00 0.44 H new ATOM 0 HB2 PRO A 34 26.180 -18.726 11.551 1.00 0.51 H new ATOM 0 HB3 PRO A 34 24.752 -19.694 11.859 1.00 0.51 H new ATOM 0 HG2 PRO A 34 25.082 -16.704 12.017 1.00 0.54 H new ATOM 0 HG3 PRO A 34 23.765 -17.630 11.325 1.00 0.54 H new ATOM 0 HD2 PRO A 34 23.553 -16.522 13.790 1.00 0.62 H new ATOM 0 HD3 PRO A 34 22.778 -18.049 13.417 1.00 0.62 H new ATOM 523 N LYS A 35 27.996 -19.025 14.582 1.00 0.49 N ATOM 524 CA LYS A 35 29.289 -18.436 14.932 1.00 0.60 C ATOM 525 C LYS A 35 30.471 -19.359 14.649 1.00 0.56 C ATOM 526 O LYS A 35 30.301 -20.526 14.295 1.00 0.58 O ATOM 527 CB LYS A 35 29.311 -18.007 16.403 1.00 0.83 C ATOM 528 CG LYS A 35 28.589 -16.696 16.664 1.00 1.17 C ATOM 529 CD LYS A 35 29.125 -15.585 15.773 1.00 1.46 C ATOM 530 CE LYS A 35 28.455 -14.254 16.068 1.00 1.98 C ATOM 531 NZ LYS A 35 28.977 -13.623 17.305 1.00 2.66 N ATOM 0 H LYS A 35 27.858 -19.983 14.904 1.00 0.49 H new ATOM 0 HA LYS A 35 29.403 -17.563 14.289 1.00 0.60 H new ATOM 0 HB2 LYS A 35 28.855 -18.790 17.008 1.00 0.83 H new ATOM 0 HB3 LYS A 35 30.346 -17.914 16.730 1.00 0.83 H new ATOM 0 HG2 LYS A 35 27.521 -16.824 16.487 1.00 1.17 H new ATOM 0 HG3 LYS A 35 28.707 -16.415 17.711 1.00 1.17 H new ATOM 0 HD2 LYS A 35 30.201 -15.490 15.917 1.00 1.46 H new ATOM 0 HD3 LYS A 35 28.966 -15.849 14.727 1.00 1.46 H new ATOM 0 HE2 LYS A 35 28.607 -13.579 15.226 1.00 1.98 H new ATOM 0 HE3 LYS A 35 27.380 -14.405 16.165 1.00 1.98 H new ATOM 0 HZ1 LYS A 35 28.490 -12.718 17.465 1.00 2.66 H new ATOM 0 HZ2 LYS A 35 28.809 -14.254 18.114 1.00 2.66 H new ATOM 0 HZ3 LYS A 35 29.998 -13.454 17.204 1.00 2.66 H new ATOM 545 N LYS A 36 31.663 -18.783 14.819 1.00 0.67 N ATOM 546 CA LYS A 36 32.954 -19.444 14.594 1.00 0.82 C ATOM 547 C LYS A 36 33.009 -20.867 15.155 1.00 0.84 C ATOM 548 O LYS A 36 32.718 -21.095 16.328 1.00 0.91 O ATOM 549 CB LYS A 36 34.047 -18.586 15.252 1.00 1.09 C ATOM 550 CG LYS A 36 35.356 -19.312 15.544 1.00 1.26 C ATOM 551 CD LYS A 36 36.316 -19.281 14.366 1.00 1.36 C ATOM 552 CE LYS A 36 37.638 -19.942 14.725 1.00 2.14 C ATOM 553 NZ LYS A 36 38.658 -19.796 13.656 1.00 2.51 N ATOM 0 H LYS A 36 31.761 -17.815 15.126 1.00 0.67 H new ATOM 0 HA LYS A 36 33.105 -19.533 13.518 1.00 0.82 H new ATOM 0 HB2 LYS A 36 34.259 -17.736 14.603 1.00 1.09 H new ATOM 0 HB3 LYS A 36 33.657 -18.184 16.187 1.00 1.09 H new ATOM 0 HG2 LYS A 36 35.835 -18.856 16.410 1.00 1.26 H new ATOM 0 HG3 LYS A 36 35.142 -20.348 15.807 1.00 1.26 H new ATOM 0 HD2 LYS A 36 35.869 -19.793 13.514 1.00 1.36 H new ATOM 0 HD3 LYS A 36 36.492 -18.249 14.062 1.00 1.36 H new ATOM 0 HE2 LYS A 36 38.019 -19.505 15.648 1.00 2.14 H new ATOM 0 HE3 LYS A 36 37.469 -21.001 14.919 1.00 2.14 H new ATOM 0 HZ1 LYS A 36 39.554 -20.219 13.971 1.00 2.51 H new ATOM 0 HZ2 LYS A 36 38.331 -20.280 12.795 1.00 2.51 H new ATOM 0 HZ3 LYS A 36 38.805 -18.787 13.451 1.00 2.51 H new ATOM 567 N GLY A 37 33.378 -21.817 14.298 1.00 0.92 N ATOM 568 CA GLY A 37 33.647 -23.173 14.747 1.00 1.04 C ATOM 569 C GLY A 37 32.407 -24.037 14.818 1.00 0.96 C ATOM 570 O GLY A 37 32.499 -25.267 14.892 1.00 1.12 O ATOM 0 H GLY A 37 33.496 -21.670 13.296 1.00 0.92 H new ATOM 0 HA2 GLY A 37 34.366 -23.636 14.071 1.00 1.04 H new ATOM 0 HA3 GLY A 37 34.113 -23.137 15.732 1.00 1.04 H new ATOM 574 N ASN A 38 31.250 -23.402 14.795 1.00 0.79 N ATOM 575 CA ASN A 38 29.991 -24.119 14.893 1.00 0.75 C ATOM 576 C ASN A 38 29.561 -24.646 13.537 1.00 0.72 C ATOM 577 O ASN A 38 29.824 -24.029 12.502 1.00 0.79 O ATOM 578 CB ASN A 38 28.901 -23.222 15.482 1.00 0.75 C ATOM 579 CG ASN A 38 29.085 -22.983 16.969 1.00 0.87 C ATOM 580 OD1 ASN A 38 29.635 -23.820 17.682 1.00 1.38 O ATOM 581 ND2 ASN A 38 28.616 -21.844 17.450 1.00 0.98 N ATOM 0 H ASN A 38 31.155 -22.390 14.709 1.00 0.79 H new ATOM 0 HA ASN A 38 30.140 -24.968 15.560 1.00 0.75 H new ATOM 0 HB2 ASN A 38 28.902 -22.265 14.961 1.00 0.75 H new ATOM 0 HB3 ASN A 38 27.926 -23.678 15.309 1.00 0.75 H new ATOM 0 HD21 ASN A 38 28.705 -21.635 18.444 1.00 0.98 H new ATOM 0 HD22 ASN A 38 28.166 -21.174 16.827 1.00 0.98 H new ATOM 588 N GLU A 39 28.901 -25.793 13.540 1.00 0.71 N ATOM 589 CA GLU A 39 28.427 -26.389 12.304 1.00 0.73 C ATOM 590 C GLU A 39 27.162 -25.695 11.838 1.00 0.63 C ATOM 591 O GLU A 39 26.105 -25.802 12.464 1.00 0.69 O ATOM 592 CB GLU A 39 28.172 -27.891 12.453 1.00 0.86 C ATOM 593 CG GLU A 39 27.572 -28.513 11.198 1.00 1.37 C ATOM 594 CD GLU A 39 27.302 -29.994 11.334 1.00 1.73 C ATOM 595 OE1 GLU A 39 26.495 -30.369 12.209 1.00 2.17 O ATOM 596 OE2 GLU A 39 27.901 -30.782 10.577 1.00 2.20 O ATOM 0 H GLU A 39 28.683 -26.327 14.381 1.00 0.71 H new ATOM 0 HA GLU A 39 29.211 -26.258 11.558 1.00 0.73 H new ATOM 0 HB2 GLU A 39 29.110 -28.393 12.689 1.00 0.86 H new ATOM 0 HB3 GLU A 39 27.500 -28.060 13.294 1.00 0.86 H new ATOM 0 HG2 GLU A 39 26.640 -28.002 10.958 1.00 1.37 H new ATOM 0 HG3 GLU A 39 28.250 -28.350 10.360 1.00 1.37 H new ATOM 603 N VAL A 40 27.284 -24.958 10.751 1.00 0.60 N ATOM 604 CA VAL A 40 26.140 -24.310 10.145 1.00 0.54 C ATOM 605 C VAL A 40 25.929 -24.846 8.741 1.00 0.54 C ATOM 606 O VAL A 40 26.838 -25.429 8.146 1.00 0.67 O ATOM 607 CB VAL A 40 26.304 -22.772 10.083 1.00 0.57 C ATOM 608 CG1 VAL A 40 26.661 -22.204 11.450 1.00 0.61 C ATOM 609 CG2 VAL A 40 27.340 -22.372 9.043 1.00 0.67 C ATOM 0 H VAL A 40 28.168 -24.793 10.269 1.00 0.60 H new ATOM 0 HA VAL A 40 25.275 -24.530 10.770 1.00 0.54 H new ATOM 0 HB VAL A 40 25.346 -22.349 9.782 1.00 0.57 H new ATOM 0 HG11 VAL A 40 26.770 -21.122 11.377 1.00 0.61 H new ATOM 0 HG12 VAL A 40 25.870 -22.442 12.161 1.00 0.61 H new ATOM 0 HG13 VAL A 40 27.599 -22.641 11.792 1.00 0.61 H new ATOM 0 HG21 VAL A 40 27.434 -21.286 9.022 1.00 0.67 H new ATOM 0 HG22 VAL A 40 28.303 -22.814 9.299 1.00 0.67 H new ATOM 0 HG23 VAL A 40 27.027 -22.728 8.062 1.00 0.67 H new ATOM 619 N THR A 41 24.725 -24.681 8.237 1.00 0.46 N ATOM 620 CA THR A 41 24.417 -25.014 6.865 1.00 0.48 C ATOM 621 C THR A 41 23.805 -23.802 6.176 1.00 0.42 C ATOM 622 O THR A 41 22.657 -23.435 6.438 1.00 0.44 O ATOM 623 CB THR A 41 23.446 -26.208 6.788 1.00 0.56 C ATOM 624 OG1 THR A 41 23.945 -27.279 7.597 1.00 0.65 O ATOM 625 CG2 THR A 41 23.287 -26.688 5.356 1.00 0.63 C ATOM 0 H THR A 41 23.934 -24.313 8.766 1.00 0.46 H new ATOM 0 HA THR A 41 25.341 -25.298 6.361 1.00 0.48 H new ATOM 0 HB THR A 41 22.471 -25.885 7.154 1.00 0.56 H new ATOM 0 HG1 THR A 41 23.328 -28.039 7.551 1.00 0.65 H new ATOM 0 HG21 THR A 41 22.597 -27.531 5.329 1.00 0.63 H new ATOM 0 HG22 THR A 41 22.894 -25.878 4.742 1.00 0.63 H new ATOM 0 HG23 THR A 41 24.256 -27.000 4.967 1.00 0.63 H new ATOM 633 N VAL A 42 24.590 -23.165 5.326 1.00 0.40 N ATOM 634 CA VAL A 42 24.122 -22.019 4.572 1.00 0.42 C ATOM 635 C VAL A 42 24.399 -22.216 3.096 1.00 0.43 C ATOM 636 O VAL A 42 25.447 -22.742 2.721 1.00 0.49 O ATOM 637 CB VAL A 42 24.786 -20.703 5.036 1.00 0.46 C ATOM 638 CG1 VAL A 42 24.268 -20.283 6.399 1.00 0.80 C ATOM 639 CG2 VAL A 42 26.297 -20.849 5.067 1.00 0.87 C ATOM 0 H VAL A 42 25.559 -23.424 5.141 1.00 0.40 H new ATOM 0 HA VAL A 42 23.049 -21.940 4.749 1.00 0.42 H new ATOM 0 HB VAL A 42 24.526 -19.925 4.319 1.00 0.46 H new ATOM 0 HG11 VAL A 42 24.752 -19.354 6.702 1.00 0.80 H new ATOM 0 HG12 VAL A 42 23.190 -20.131 6.347 1.00 0.80 H new ATOM 0 HG13 VAL A 42 24.490 -21.062 7.128 1.00 0.80 H new ATOM 0 HG21 VAL A 42 26.746 -19.912 5.396 1.00 0.87 H new ATOM 0 HG22 VAL A 42 26.571 -21.646 5.758 1.00 0.87 H new ATOM 0 HG23 VAL A 42 26.659 -21.094 4.069 1.00 0.87 H new ATOM 649 N HIS A 43 23.455 -21.816 2.267 1.00 0.44 N ATOM 650 CA HIS A 43 23.641 -21.868 0.826 1.00 0.49 C ATOM 651 C HIS A 43 24.000 -20.484 0.323 1.00 0.47 C ATOM 652 O HIS A 43 23.564 -19.489 0.897 1.00 0.53 O ATOM 653 CB HIS A 43 22.376 -22.360 0.108 1.00 0.64 C ATOM 654 CG HIS A 43 21.994 -23.772 0.423 1.00 1.16 C ATOM 655 ND1 HIS A 43 20.696 -24.165 0.668 1.00 2.00 N ATOM 656 CD2 HIS A 43 22.747 -24.892 0.510 1.00 2.04 C ATOM 657 CE1 HIS A 43 20.668 -25.464 0.894 1.00 2.74 C ATOM 658 NE2 HIS A 43 21.900 -25.927 0.803 1.00 2.75 N ATOM 0 H HIS A 43 22.550 -21.451 2.564 1.00 0.44 H new ATOM 0 HA HIS A 43 24.444 -22.573 0.611 1.00 0.49 H new ATOM 0 HB2 HIS A 43 21.546 -21.705 0.372 1.00 0.64 H new ATOM 0 HB3 HIS A 43 22.525 -22.269 -0.968 1.00 0.64 H new ATOM 0 HD2 HIS A 43 23.816 -24.958 0.374 1.00 2.04 H new ATOM 0 HE1 HIS A 43 19.787 -26.049 1.116 1.00 2.74 H new ATOM 0 HE2 HIS A 43 22.177 -26.900 0.931 1.00 2.75 H new ATOM 667 N TYR A 44 24.808 -20.420 -0.723 1.00 0.44 N ATOM 668 CA TYR A 44 25.153 -19.143 -1.324 1.00 0.42 C ATOM 669 C TYR A 44 24.857 -19.164 -2.816 1.00 0.41 C ATOM 670 O TYR A 44 25.268 -20.072 -3.538 1.00 0.47 O ATOM 671 CB TYR A 44 26.623 -18.775 -1.051 1.00 0.46 C ATOM 672 CG TYR A 44 27.649 -19.752 -1.594 1.00 0.50 C ATOM 673 CD1 TYR A 44 27.893 -20.962 -0.959 1.00 0.52 C ATOM 674 CD2 TYR A 44 28.384 -19.455 -2.735 1.00 0.60 C ATOM 675 CE1 TYR A 44 28.835 -21.848 -1.445 1.00 0.60 C ATOM 676 CE2 TYR A 44 29.328 -20.337 -3.230 1.00 0.68 C ATOM 677 CZ TYR A 44 29.550 -21.533 -2.581 1.00 0.66 C ATOM 678 OH TYR A 44 30.486 -22.418 -3.067 1.00 0.76 O ATOM 0 H TYR A 44 25.234 -21.231 -1.171 1.00 0.44 H new ATOM 0 HA TYR A 44 24.536 -18.371 -0.864 1.00 0.42 H new ATOM 0 HB2 TYR A 44 26.820 -17.792 -1.479 1.00 0.46 H new ATOM 0 HB3 TYR A 44 26.764 -18.687 0.026 1.00 0.46 H new ATOM 0 HD1 TYR A 44 27.336 -21.215 -0.069 1.00 0.52 H new ATOM 0 HD2 TYR A 44 28.215 -18.518 -3.245 1.00 0.60 H new ATOM 0 HE1 TYR A 44 29.011 -22.785 -0.937 1.00 0.60 H new ATOM 0 HE2 TYR A 44 29.888 -20.090 -4.120 1.00 0.68 H new ATOM 0 HH TYR A 44 30.226 -23.333 -2.830 1.00 0.76 H new ATOM 688 N VAL A 45 24.114 -18.167 -3.255 1.00 0.35 N ATOM 689 CA VAL A 45 23.741 -18.026 -4.649 1.00 0.36 C ATOM 690 C VAL A 45 23.382 -16.565 -4.905 1.00 0.30 C ATOM 691 O VAL A 45 23.069 -15.840 -3.968 1.00 0.30 O ATOM 692 CB VAL A 45 22.548 -18.953 -5.013 1.00 0.44 C ATOM 693 CG1 VAL A 45 21.288 -18.524 -4.275 1.00 0.47 C ATOM 694 CG2 VAL A 45 22.320 -18.986 -6.523 1.00 0.49 C ATOM 0 H VAL A 45 23.750 -17.429 -2.652 1.00 0.35 H new ATOM 0 HA VAL A 45 24.580 -18.323 -5.278 1.00 0.36 H new ATOM 0 HB VAL A 45 22.796 -19.966 -4.695 1.00 0.44 H new ATOM 0 HG11 VAL A 45 20.465 -19.186 -4.544 1.00 0.47 H new ATOM 0 HG12 VAL A 45 21.460 -18.578 -3.200 1.00 0.47 H new ATOM 0 HG13 VAL A 45 21.035 -17.500 -4.551 1.00 0.47 H new ATOM 0 HG21 VAL A 45 21.480 -19.642 -6.750 1.00 0.49 H new ATOM 0 HG22 VAL A 45 22.101 -17.980 -6.880 1.00 0.49 H new ATOM 0 HG23 VAL A 45 23.216 -19.360 -7.018 1.00 0.49 H new ATOM 704 N GLY A 46 23.462 -16.123 -6.144 1.00 0.31 N ATOM 705 CA GLY A 46 23.157 -14.743 -6.446 1.00 0.30 C ATOM 706 C GLY A 46 23.572 -14.381 -7.849 1.00 0.30 C ATOM 707 O GLY A 46 23.224 -15.080 -8.800 1.00 0.36 O ATOM 0 H GLY A 46 23.732 -16.692 -6.947 1.00 0.31 H new ATOM 0 HA2 GLY A 46 22.087 -14.571 -6.326 1.00 0.30 H new ATOM 0 HA3 GLY A 46 23.667 -14.092 -5.735 1.00 0.30 H new ATOM 711 N LYS A 47 24.322 -13.302 -7.988 1.00 0.27 N ATOM 712 CA LYS A 47 24.802 -12.892 -9.295 1.00 0.29 C ATOM 713 C LYS A 47 26.035 -12.005 -9.172 1.00 0.25 C ATOM 714 O LYS A 47 26.419 -11.602 -8.074 1.00 0.26 O ATOM 715 CB LYS A 47 23.687 -12.194 -10.089 1.00 0.36 C ATOM 716 CG LYS A 47 23.137 -10.928 -9.458 1.00 0.42 C ATOM 717 CD LYS A 47 21.934 -10.418 -10.235 1.00 0.66 C ATOM 718 CE LYS A 47 21.403 -9.113 -9.665 1.00 0.83 C ATOM 719 NZ LYS A 47 20.135 -8.695 -10.320 1.00 1.43 N ATOM 0 H LYS A 47 24.610 -12.698 -7.218 1.00 0.27 H new ATOM 0 HA LYS A 47 25.095 -13.786 -9.846 1.00 0.29 H new ATOM 0 HB2 LYS A 47 24.068 -11.950 -11.081 1.00 0.36 H new ATOM 0 HB3 LYS A 47 22.866 -12.898 -10.227 1.00 0.36 H new ATOM 0 HG2 LYS A 47 22.852 -11.125 -8.425 1.00 0.42 H new ATOM 0 HG3 LYS A 47 23.912 -10.162 -9.434 1.00 0.42 H new ATOM 0 HD2 LYS A 47 22.211 -10.272 -11.279 1.00 0.66 H new ATOM 0 HD3 LYS A 47 21.145 -11.170 -10.217 1.00 0.66 H new ATOM 0 HE2 LYS A 47 21.238 -9.226 -8.594 1.00 0.83 H new ATOM 0 HE3 LYS A 47 22.152 -8.331 -9.791 1.00 0.83 H new ATOM 0 HZ1 LYS A 47 19.807 -7.801 -9.902 1.00 1.43 H new ATOM 0 HZ2 LYS A 47 20.298 -8.562 -11.339 1.00 1.43 H new ATOM 0 HZ3 LYS A 47 19.412 -9.429 -10.178 1.00 1.43 H new ATOM 733 N LEU A 48 26.663 -11.728 -10.301 1.00 0.27 N ATOM 734 CA LEU A 48 27.843 -10.885 -10.336 1.00 0.26 C ATOM 735 C LEU A 48 27.428 -9.432 -10.515 1.00 0.25 C ATOM 736 O LEU A 48 27.151 -8.995 -11.630 1.00 0.27 O ATOM 737 CB LEU A 48 28.770 -11.334 -11.478 1.00 0.29 C ATOM 738 CG LEU A 48 29.992 -10.449 -11.739 1.00 0.32 C ATOM 739 CD1 LEU A 48 30.849 -10.326 -10.495 1.00 0.36 C ATOM 740 CD2 LEU A 48 30.810 -11.013 -12.892 1.00 0.38 C ATOM 0 H LEU A 48 26.371 -12.079 -11.213 1.00 0.27 H new ATOM 0 HA LEU A 48 28.387 -10.977 -9.396 1.00 0.26 H new ATOM 0 HB2 LEU A 48 29.118 -12.344 -11.261 1.00 0.29 H new ATOM 0 HB3 LEU A 48 28.183 -11.389 -12.395 1.00 0.29 H new ATOM 0 HG LEU A 48 29.642 -9.452 -12.008 1.00 0.32 H new ATOM 0 HD11 LEU A 48 31.710 -9.692 -10.708 1.00 0.36 H new ATOM 0 HD12 LEU A 48 30.262 -9.882 -9.691 1.00 0.36 H new ATOM 0 HD13 LEU A 48 31.192 -11.315 -10.191 1.00 0.36 H new ATOM 0 HD21 LEU A 48 31.677 -10.376 -13.069 1.00 0.38 H new ATOM 0 HD22 LEU A 48 31.145 -12.020 -12.642 1.00 0.38 H new ATOM 0 HD23 LEU A 48 30.195 -11.048 -13.791 1.00 0.38 H new ATOM 752 N GLU A 49 27.369 -8.695 -9.409 1.00 0.29 N ATOM 753 CA GLU A 49 26.917 -7.304 -9.429 1.00 0.36 C ATOM 754 C GLU A 49 27.864 -6.428 -10.238 1.00 0.34 C ATOM 755 O GLU A 49 27.447 -5.437 -10.834 1.00 0.41 O ATOM 756 CB GLU A 49 26.801 -6.744 -8.008 1.00 0.50 C ATOM 757 CG GLU A 49 26.356 -5.288 -7.974 1.00 0.63 C ATOM 758 CD GLU A 49 26.278 -4.710 -6.576 1.00 1.20 C ATOM 759 OE1 GLU A 49 26.844 -5.333 -5.649 1.00 1.96 O ATOM 760 OE2 GLU A 49 25.654 -3.646 -6.389 1.00 1.75 O ATOM 0 H GLU A 49 27.629 -9.038 -8.484 1.00 0.29 H new ATOM 0 HA GLU A 49 25.934 -7.292 -9.900 1.00 0.36 H new ATOM 0 HB2 GLU A 49 26.091 -7.348 -7.443 1.00 0.50 H new ATOM 0 HB3 GLU A 49 27.765 -6.835 -7.508 1.00 0.50 H new ATOM 0 HG2 GLU A 49 27.049 -4.691 -8.567 1.00 0.63 H new ATOM 0 HG3 GLU A 49 25.378 -5.205 -8.448 1.00 0.63 H new ATOM 767 N SER A 50 29.131 -6.822 -10.278 1.00 0.33 N ATOM 768 CA SER A 50 30.164 -6.031 -10.932 1.00 0.40 C ATOM 769 C SER A 50 29.797 -5.719 -12.389 1.00 0.45 C ATOM 770 O SER A 50 30.182 -4.681 -12.926 1.00 0.55 O ATOM 771 CB SER A 50 31.503 -6.766 -10.860 1.00 0.46 C ATOM 772 OG SER A 50 32.583 -5.916 -11.198 1.00 0.67 O ATOM 0 H SER A 50 29.468 -7.690 -9.862 1.00 0.33 H new ATOM 0 HA SER A 50 30.249 -5.080 -10.407 1.00 0.40 H new ATOM 0 HB2 SER A 50 31.649 -7.159 -9.854 1.00 0.46 H new ATOM 0 HB3 SER A 50 31.486 -7.621 -11.536 1.00 0.46 H new ATOM 0 HG SER A 50 33.231 -6.411 -11.742 1.00 0.67 H new ATOM 778 N THR A 51 29.041 -6.609 -13.020 1.00 0.44 N ATOM 779 CA THR A 51 28.567 -6.368 -14.378 1.00 0.53 C ATOM 780 C THR A 51 27.063 -6.618 -14.488 1.00 0.54 C ATOM 781 O THR A 51 26.469 -6.422 -15.551 1.00 0.73 O ATOM 782 CB THR A 51 29.320 -7.240 -15.406 1.00 0.59 C ATOM 783 OG1 THR A 51 28.838 -6.969 -16.727 1.00 0.72 O ATOM 784 CG2 THR A 51 29.154 -8.718 -15.096 1.00 0.53 C ATOM 0 H THR A 51 28.744 -7.498 -12.617 1.00 0.44 H new ATOM 0 HA THR A 51 28.768 -5.321 -14.605 1.00 0.53 H new ATOM 0 HB THR A 51 30.380 -6.992 -15.346 1.00 0.59 H new ATOM 0 HG1 THR A 51 27.925 -6.618 -16.676 1.00 0.72 H new ATOM 0 HG21 THR A 51 29.695 -9.308 -15.836 1.00 0.53 H new ATOM 0 HG22 THR A 51 29.552 -8.928 -14.103 1.00 0.53 H new ATOM 0 HG23 THR A 51 28.096 -8.980 -15.126 1.00 0.53 H new ATOM 792 N GLY A 52 26.457 -7.049 -13.386 1.00 0.48 N ATOM 793 CA GLY A 52 25.028 -7.306 -13.361 1.00 0.51 C ATOM 794 C GLY A 52 24.632 -8.540 -14.154 1.00 0.54 C ATOM 795 O GLY A 52 23.670 -8.511 -14.924 1.00 0.78 O ATOM 0 H GLY A 52 26.935 -7.226 -12.503 1.00 0.48 H new ATOM 0 HA2 GLY A 52 24.704 -7.426 -12.327 1.00 0.51 H new ATOM 0 HA3 GLY A 52 24.502 -6.439 -13.761 1.00 0.51 H new ATOM 799 N LYS A 53 25.379 -9.622 -13.969 1.00 0.44 N ATOM 800 CA LYS A 53 25.080 -10.886 -14.632 1.00 0.49 C ATOM 801 C LYS A 53 24.664 -11.937 -13.616 1.00 0.41 C ATOM 802 O LYS A 53 25.367 -12.178 -12.637 1.00 0.38 O ATOM 803 CB LYS A 53 26.281 -11.388 -15.435 1.00 0.60 C ATOM 804 CG LYS A 53 26.536 -10.606 -16.713 1.00 0.84 C ATOM 805 CD LYS A 53 25.298 -10.572 -17.594 1.00 1.47 C ATOM 806 CE LYS A 53 25.590 -9.971 -18.959 1.00 2.09 C ATOM 807 NZ LYS A 53 24.348 -9.779 -19.749 1.00 2.89 N ATOM 0 H LYS A 53 26.199 -9.649 -13.363 1.00 0.44 H new ATOM 0 HA LYS A 53 24.254 -10.710 -15.321 1.00 0.49 H new ATOM 0 HB2 LYS A 53 27.171 -11.340 -14.808 1.00 0.60 H new ATOM 0 HB3 LYS A 53 26.125 -12.437 -15.687 1.00 0.60 H new ATOM 0 HG2 LYS A 53 26.837 -9.588 -16.465 1.00 0.84 H new ATOM 0 HG3 LYS A 53 27.363 -11.059 -17.260 1.00 0.84 H new ATOM 0 HD2 LYS A 53 24.913 -11.584 -17.718 1.00 1.47 H new ATOM 0 HD3 LYS A 53 24.518 -9.992 -17.101 1.00 1.47 H new ATOM 0 HE2 LYS A 53 26.095 -9.013 -18.835 1.00 2.09 H new ATOM 0 HE3 LYS A 53 26.272 -10.622 -19.505 1.00 2.09 H new ATOM 0 HZ1 LYS A 53 24.585 -9.367 -20.674 1.00 2.89 H new ATOM 0 HZ2 LYS A 53 23.880 -10.697 -19.888 1.00 2.89 H new ATOM 0 HZ3 LYS A 53 23.708 -9.138 -19.239 1.00 2.89 H new ATOM 821 N VAL A 54 23.514 -12.547 -13.861 1.00 0.44 N ATOM 822 CA VAL A 54 22.954 -13.545 -12.957 1.00 0.44 C ATOM 823 C VAL A 54 23.738 -14.858 -13.029 1.00 0.46 C ATOM 824 O VAL A 54 24.346 -15.171 -14.055 1.00 0.51 O ATOM 825 CB VAL A 54 21.456 -13.802 -13.277 1.00 0.52 C ATOM 826 CG1 VAL A 54 21.281 -14.411 -14.662 1.00 0.59 C ATOM 827 CG2 VAL A 54 20.810 -14.682 -12.224 1.00 0.57 C ATOM 0 H VAL A 54 22.944 -12.367 -14.687 1.00 0.44 H new ATOM 0 HA VAL A 54 23.033 -13.152 -11.944 1.00 0.44 H new ATOM 0 HB VAL A 54 20.953 -12.835 -13.266 1.00 0.52 H new ATOM 0 HG11 VAL A 54 20.221 -14.578 -14.855 1.00 0.59 H new ATOM 0 HG12 VAL A 54 21.683 -13.730 -15.412 1.00 0.59 H new ATOM 0 HG13 VAL A 54 21.813 -15.361 -14.712 1.00 0.59 H new ATOM 0 HG21 VAL A 54 19.762 -14.843 -12.477 1.00 0.57 H new ATOM 0 HG22 VAL A 54 21.325 -15.642 -12.186 1.00 0.57 H new ATOM 0 HG23 VAL A 54 20.878 -14.195 -11.251 1.00 0.57 H new ATOM 837 N PHE A 55 23.735 -15.611 -11.930 1.00 0.48 N ATOM 838 CA PHE A 55 24.394 -16.910 -11.882 1.00 0.54 C ATOM 839 C PHE A 55 23.590 -17.949 -12.641 1.00 0.61 C ATOM 840 O PHE A 55 22.458 -18.270 -12.272 1.00 0.78 O ATOM 841 CB PHE A 55 24.581 -17.373 -10.434 1.00 0.59 C ATOM 842 CG PHE A 55 25.846 -16.886 -9.792 1.00 0.47 C ATOM 843 CD1 PHE A 55 26.433 -15.695 -10.187 1.00 0.52 C ATOM 844 CD2 PHE A 55 26.447 -17.622 -8.785 1.00 0.58 C ATOM 845 CE1 PHE A 55 27.597 -15.250 -9.593 1.00 0.46 C ATOM 846 CE2 PHE A 55 27.610 -17.183 -8.188 1.00 0.70 C ATOM 847 CZ PHE A 55 28.184 -15.995 -8.592 1.00 0.56 C ATOM 0 H PHE A 55 23.280 -15.340 -11.058 1.00 0.48 H new ATOM 0 HA PHE A 55 25.372 -16.801 -12.351 1.00 0.54 H new ATOM 0 HB2 PHE A 55 23.732 -17.031 -9.842 1.00 0.59 H new ATOM 0 HB3 PHE A 55 24.570 -18.463 -10.408 1.00 0.59 H new ATOM 0 HD1 PHE A 55 25.975 -15.108 -10.969 1.00 0.52 H new ATOM 0 HD2 PHE A 55 26.000 -18.551 -8.463 1.00 0.58 H new ATOM 0 HE1 PHE A 55 28.047 -14.321 -9.911 1.00 0.46 H new ATOM 0 HE2 PHE A 55 28.071 -17.768 -7.406 1.00 0.70 H new ATOM 0 HZ PHE A 55 29.094 -15.648 -8.124 1.00 0.56 H new ATOM 857 N ASP A 56 24.175 -18.455 -13.710 1.00 0.61 N ATOM 858 CA ASP A 56 23.548 -19.499 -14.496 1.00 0.71 C ATOM 859 C ASP A 56 24.618 -20.425 -15.052 1.00 0.70 C ATOM 860 O ASP A 56 25.127 -20.220 -16.156 1.00 0.87 O ATOM 861 CB ASP A 56 22.712 -18.893 -15.625 1.00 0.91 C ATOM 862 CG ASP A 56 21.859 -19.923 -16.331 1.00 1.59 C ATOM 863 OD1 ASP A 56 20.814 -20.320 -15.776 1.00 2.18 O ATOM 864 OD2 ASP A 56 22.243 -20.353 -17.438 1.00 2.14 O ATOM 0 H ASP A 56 25.088 -18.158 -14.055 1.00 0.61 H new ATOM 0 HA ASP A 56 22.878 -20.075 -13.858 1.00 0.71 H new ATOM 0 HB2 ASP A 56 22.070 -18.112 -15.218 1.00 0.91 H new ATOM 0 HB3 ASP A 56 23.374 -18.417 -16.348 1.00 0.91 H new ATOM 869 N SER A 57 24.998 -21.404 -14.249 1.00 0.61 N ATOM 870 CA SER A 57 26.003 -22.375 -14.637 1.00 0.67 C ATOM 871 C SER A 57 25.377 -23.767 -14.703 1.00 0.68 C ATOM 872 O SER A 57 24.173 -23.923 -14.507 1.00 0.75 O ATOM 873 CB SER A 57 27.157 -22.356 -13.629 1.00 0.75 C ATOM 874 OG SER A 57 27.636 -21.036 -13.421 1.00 1.24 O ATOM 0 H SER A 57 24.619 -21.547 -13.313 1.00 0.61 H new ATOM 0 HA SER A 57 26.393 -22.119 -15.622 1.00 0.67 H new ATOM 0 HB2 SER A 57 26.822 -22.778 -12.681 1.00 0.75 H new ATOM 0 HB3 SER A 57 27.969 -22.988 -13.990 1.00 0.75 H new ATOM 0 HG SER A 57 27.127 -20.614 -12.697 1.00 1.24 H new ATOM 880 N SER A 58 26.186 -24.771 -14.996 1.00 0.75 N ATOM 881 CA SER A 58 25.702 -26.139 -15.066 1.00 0.82 C ATOM 882 C SER A 58 25.366 -26.679 -13.675 1.00 0.70 C ATOM 883 O SER A 58 24.391 -27.410 -13.498 1.00 0.70 O ATOM 884 CB SER A 58 26.760 -27.030 -15.718 1.00 1.03 C ATOM 885 OG SER A 58 27.286 -26.422 -16.888 1.00 1.49 O ATOM 0 H SER A 58 27.182 -24.664 -15.189 1.00 0.75 H new ATOM 0 HA SER A 58 24.792 -26.146 -15.666 1.00 0.82 H new ATOM 0 HB2 SER A 58 27.566 -27.222 -15.010 1.00 1.03 H new ATOM 0 HB3 SER A 58 26.322 -27.995 -15.971 1.00 1.03 H new ATOM 0 HG SER A 58 27.962 -27.009 -17.286 1.00 1.49 H new ATOM 891 N PHE A 59 26.182 -26.311 -12.692 1.00 0.69 N ATOM 892 CA PHE A 59 26.103 -26.908 -11.363 1.00 0.70 C ATOM 893 C PHE A 59 25.253 -26.076 -10.400 1.00 0.64 C ATOM 894 O PHE A 59 24.367 -26.604 -9.729 1.00 0.67 O ATOM 895 CB PHE A 59 27.514 -27.080 -10.792 1.00 0.85 C ATOM 896 CG PHE A 59 28.504 -27.591 -11.801 1.00 1.08 C ATOM 897 CD1 PHE A 59 28.371 -28.857 -12.348 1.00 1.28 C ATOM 898 CD2 PHE A 59 29.564 -26.795 -12.212 1.00 1.39 C ATOM 899 CE1 PHE A 59 29.276 -29.320 -13.283 1.00 1.58 C ATOM 900 CE2 PHE A 59 30.472 -27.255 -13.144 1.00 1.77 C ATOM 901 CZ PHE A 59 30.327 -28.517 -13.681 1.00 1.80 C ATOM 0 H PHE A 59 26.907 -25.601 -12.791 1.00 0.69 H new ATOM 0 HA PHE A 59 25.618 -27.879 -11.468 1.00 0.70 H new ATOM 0 HB2 PHE A 59 27.861 -26.122 -10.405 1.00 0.85 H new ATOM 0 HB3 PHE A 59 27.476 -27.770 -9.949 1.00 0.85 H new ATOM 0 HD1 PHE A 59 27.551 -29.489 -12.040 1.00 1.28 H new ATOM 0 HD2 PHE A 59 29.680 -25.804 -11.798 1.00 1.39 H new ATOM 0 HE1 PHE A 59 29.162 -30.309 -13.702 1.00 1.58 H new ATOM 0 HE2 PHE A 59 31.295 -26.627 -13.452 1.00 1.77 H new ATOM 0 HZ PHE A 59 31.035 -28.877 -14.413 1.00 1.80 H new ATOM 911 N ASP A 60 25.516 -24.776 -10.365 1.00 0.66 N ATOM 912 CA ASP A 60 24.989 -23.883 -9.324 1.00 0.72 C ATOM 913 C ASP A 60 23.459 -23.804 -9.324 1.00 0.71 C ATOM 914 O ASP A 60 22.829 -23.877 -8.270 1.00 0.86 O ATOM 915 CB ASP A 60 25.600 -22.477 -9.471 1.00 0.83 C ATOM 916 CG ASP A 60 25.316 -21.821 -10.812 1.00 1.54 C ATOM 917 OD1 ASP A 60 24.826 -22.513 -11.726 1.00 1.89 O ATOM 918 OD2 ASP A 60 25.555 -20.603 -10.951 1.00 2.19 O ATOM 0 H ASP A 60 26.100 -24.304 -11.055 1.00 0.66 H new ATOM 0 HA ASP A 60 25.280 -24.309 -8.364 1.00 0.72 H new ATOM 0 HB2 ASP A 60 25.214 -21.839 -8.676 1.00 0.83 H new ATOM 0 HB3 ASP A 60 26.679 -22.544 -9.331 1.00 0.83 H new ATOM 923 N ARG A 61 22.872 -23.653 -10.499 1.00 0.68 N ATOM 924 CA ARG A 61 21.425 -23.541 -10.629 1.00 0.80 C ATOM 925 C ARG A 61 20.731 -24.850 -10.258 1.00 0.75 C ATOM 926 O ARG A 61 19.553 -24.858 -9.890 1.00 0.92 O ATOM 927 CB ARG A 61 21.050 -23.147 -12.060 1.00 0.97 C ATOM 928 CG ARG A 61 21.479 -24.165 -13.104 1.00 1.23 C ATOM 929 CD ARG A 61 20.979 -23.792 -14.492 1.00 1.65 C ATOM 930 NE ARG A 61 19.520 -23.709 -14.536 1.00 1.75 N ATOM 931 CZ ARG A 61 18.736 -24.596 -15.135 1.00 2.15 C ATOM 932 NH1 ARG A 61 19.260 -25.653 -15.742 1.00 2.58 N ATOM 933 NH2 ARG A 61 17.421 -24.438 -15.109 1.00 2.78 N ATOM 0 H ARG A 61 23.377 -23.605 -11.384 1.00 0.68 H new ATOM 0 HA ARG A 61 21.089 -22.767 -9.939 1.00 0.80 H new ATOM 0 HB2 ARG A 61 19.970 -23.011 -12.119 1.00 0.97 H new ATOM 0 HB3 ARG A 61 21.506 -22.185 -12.294 1.00 0.97 H new ATOM 0 HG2 ARG A 61 22.567 -24.238 -13.116 1.00 1.23 H new ATOM 0 HG3 ARG A 61 21.097 -25.149 -12.832 1.00 1.23 H new ATOM 0 HD2 ARG A 61 21.407 -22.834 -14.788 1.00 1.65 H new ATOM 0 HD3 ARG A 61 21.324 -24.532 -15.214 1.00 1.65 H new ATOM 0 HE ARG A 61 19.075 -22.916 -14.075 1.00 1.75 H new ATOM 0 HH11 ARG A 61 20.271 -25.787 -15.750 1.00 2.58 H new ATOM 0 HH12 ARG A 61 18.652 -26.331 -16.201 1.00 2.58 H new ATOM 0 HH21 ARG A 61 17.013 -23.636 -14.629 1.00 2.78 H new ATOM 0 HH22 ARG A 61 16.816 -25.119 -15.569 1.00 2.78 H new ATOM 947 N ASN A 62 21.465 -25.950 -10.354 1.00 0.64 N ATOM 948 CA ASN A 62 20.910 -27.262 -10.064 1.00 0.68 C ATOM 949 C ASN A 62 21.041 -27.582 -8.583 1.00 0.73 C ATOM 950 O ASN A 62 20.043 -27.749 -7.879 1.00 0.89 O ATOM 951 CB ASN A 62 21.626 -28.341 -10.874 1.00 0.71 C ATOM 952 CG ASN A 62 21.081 -29.730 -10.591 1.00 0.83 C ATOM 953 OD1 ASN A 62 19.868 -29.933 -10.528 1.00 0.93 O ATOM 954 ND2 ASN A 62 21.973 -30.681 -10.365 1.00 1.10 N ATOM 0 H ASN A 62 22.447 -25.958 -10.631 1.00 0.64 H new ATOM 0 HA ASN A 62 19.855 -27.246 -10.339 1.00 0.68 H new ATOM 0 HB2 ASN A 62 21.524 -28.122 -11.937 1.00 0.71 H new ATOM 0 HB3 ASN A 62 22.691 -28.317 -10.645 1.00 0.71 H new ATOM 0 HD21 ASN A 62 21.664 -31.624 -10.128 1.00 1.10 H new ATOM 0 HD22 ASN A 62 22.969 -30.471 -10.427 1.00 1.10 H new ATOM 961 N VAL A 63 22.281 -27.651 -8.119 1.00 0.68 N ATOM 962 CA VAL A 63 22.561 -28.026 -6.746 1.00 0.83 C ATOM 963 C VAL A 63 23.398 -26.952 -6.050 1.00 0.62 C ATOM 964 O VAL A 63 24.580 -26.764 -6.342 1.00 0.64 O ATOM 965 CB VAL A 63 23.259 -29.409 -6.670 1.00 1.16 C ATOM 966 CG1 VAL A 63 24.500 -29.462 -7.551 1.00 1.76 C ATOM 967 CG2 VAL A 63 23.603 -29.761 -5.231 1.00 2.03 C ATOM 0 H VAL A 63 23.110 -27.451 -8.678 1.00 0.68 H new ATOM 0 HA VAL A 63 21.609 -28.108 -6.222 1.00 0.83 H new ATOM 0 HB VAL A 63 22.557 -30.152 -7.049 1.00 1.16 H new ATOM 0 HG11 VAL A 63 24.961 -30.446 -7.471 1.00 1.76 H new ATOM 0 HG12 VAL A 63 24.219 -29.276 -8.588 1.00 1.76 H new ATOM 0 HG13 VAL A 63 25.210 -28.701 -7.226 1.00 1.76 H new ATOM 0 HG21 VAL A 63 24.092 -30.735 -5.202 1.00 2.03 H new ATOM 0 HG22 VAL A 63 24.274 -29.006 -4.822 1.00 2.03 H new ATOM 0 HG23 VAL A 63 22.690 -29.795 -4.637 1.00 2.03 H new ATOM 977 N PRO A 64 22.763 -26.202 -5.147 1.00 0.91 N ATOM 978 CA PRO A 64 23.428 -25.162 -4.362 1.00 1.03 C ATOM 979 C PRO A 64 24.388 -25.755 -3.333 1.00 0.81 C ATOM 980 O PRO A 64 24.066 -26.739 -2.664 1.00 0.86 O ATOM 981 CB PRO A 64 22.271 -24.434 -3.657 1.00 1.53 C ATOM 982 CG PRO A 64 21.024 -24.923 -4.318 1.00 1.76 C ATOM 983 CD PRO A 64 21.339 -26.297 -4.828 1.00 1.40 C ATOM 0 HA PRO A 64 24.034 -24.506 -4.986 1.00 1.03 H new ATOM 0 HB2 PRO A 64 22.261 -24.656 -2.590 1.00 1.53 H new ATOM 0 HB3 PRO A 64 22.369 -23.353 -3.757 1.00 1.53 H new ATOM 0 HG2 PRO A 64 20.193 -24.949 -3.613 1.00 1.76 H new ATOM 0 HG3 PRO A 64 20.729 -24.262 -5.133 1.00 1.76 H new ATOM 0 HD2 PRO A 64 21.142 -27.063 -4.078 1.00 1.40 H new ATOM 0 HD3 PRO A 64 20.743 -26.550 -5.705 1.00 1.40 H new ATOM 991 N PHE A 65 25.551 -25.136 -3.186 1.00 0.68 N ATOM 992 CA PHE A 65 26.571 -25.635 -2.277 1.00 0.53 C ATOM 993 C PHE A 65 26.429 -24.960 -0.916 1.00 0.47 C ATOM 994 O PHE A 65 25.892 -23.855 -0.814 1.00 0.54 O ATOM 995 CB PHE A 65 27.966 -25.383 -2.865 1.00 0.62 C ATOM 996 CG PHE A 65 29.082 -26.068 -2.118 1.00 0.72 C ATOM 997 CD1 PHE A 65 29.231 -27.446 -2.179 1.00 1.06 C ATOM 998 CD2 PHE A 65 29.979 -25.335 -1.361 1.00 0.71 C ATOM 999 CE1 PHE A 65 30.255 -28.075 -1.497 1.00 1.31 C ATOM 1000 CE2 PHE A 65 31.004 -25.959 -0.678 1.00 0.95 C ATOM 1001 CZ PHE A 65 31.142 -27.331 -0.746 1.00 1.24 C ATOM 0 H PHE A 65 25.811 -24.286 -3.686 1.00 0.68 H new ATOM 0 HA PHE A 65 26.441 -26.709 -2.146 1.00 0.53 H new ATOM 0 HB2 PHE A 65 27.978 -25.719 -3.902 1.00 0.62 H new ATOM 0 HB3 PHE A 65 28.156 -24.310 -2.876 1.00 0.62 H new ATOM 0 HD1 PHE A 65 28.540 -28.033 -2.765 1.00 1.06 H new ATOM 0 HD2 PHE A 65 29.876 -24.261 -1.304 1.00 0.71 H new ATOM 0 HE1 PHE A 65 30.361 -29.148 -1.552 1.00 1.31 H new ATOM 0 HE2 PHE A 65 31.697 -25.374 -0.091 1.00 0.95 H new ATOM 0 HZ PHE A 65 31.943 -27.821 -0.212 1.00 1.24 H new ATOM 1011 N LYS A 66 26.882 -25.642 0.129 1.00 0.41 N ATOM 1012 CA LYS A 66 26.781 -25.122 1.486 1.00 0.39 C ATOM 1013 C LYS A 66 28.128 -25.210 2.193 1.00 0.38 C ATOM 1014 O LYS A 66 28.907 -26.133 1.943 1.00 0.48 O ATOM 1015 CB LYS A 66 25.694 -25.880 2.269 1.00 0.45 C ATOM 1016 CG LYS A 66 25.955 -27.373 2.454 1.00 0.60 C ATOM 1017 CD LYS A 66 26.605 -27.665 3.801 1.00 0.67 C ATOM 1018 CE LYS A 66 26.682 -29.157 4.084 1.00 0.93 C ATOM 1019 NZ LYS A 66 27.607 -29.857 3.156 1.00 1.36 N ATOM 0 H LYS A 66 27.324 -26.559 0.062 1.00 0.41 H new ATOM 0 HA LYS A 66 26.495 -24.071 1.438 1.00 0.39 H new ATOM 0 HB2 LYS A 66 25.588 -25.420 3.252 1.00 0.45 H new ATOM 0 HB3 LYS A 66 24.742 -25.754 1.754 1.00 0.45 H new ATOM 0 HG2 LYS A 66 25.015 -27.920 2.376 1.00 0.60 H new ATOM 0 HG3 LYS A 66 26.600 -27.732 1.652 1.00 0.60 H new ATOM 0 HD2 LYS A 66 27.609 -27.240 3.819 1.00 0.67 H new ATOM 0 HD3 LYS A 66 26.037 -27.175 4.592 1.00 0.67 H new ATOM 0 HE2 LYS A 66 27.013 -29.314 5.111 1.00 0.93 H new ATOM 0 HE3 LYS A 66 25.687 -29.593 4.000 1.00 0.93 H new ATOM 0 HZ1 LYS A 66 27.628 -30.871 3.386 1.00 1.36 H new ATOM 0 HZ2 LYS A 66 27.278 -29.731 2.177 1.00 1.36 H new ATOM 0 HZ3 LYS A 66 28.563 -29.460 3.254 1.00 1.36 H new ATOM 1033 N PHE A 67 28.404 -24.252 3.066 1.00 0.39 N ATOM 1034 CA PHE A 67 29.673 -24.229 3.783 1.00 0.42 C ATOM 1035 C PHE A 67 29.460 -24.109 5.294 1.00 0.42 C ATOM 1036 O PHE A 67 28.333 -23.950 5.761 1.00 0.46 O ATOM 1037 CB PHE A 67 30.573 -23.097 3.263 1.00 0.46 C ATOM 1038 CG PHE A 67 29.992 -21.712 3.373 1.00 0.45 C ATOM 1039 CD1 PHE A 67 30.129 -20.972 4.540 1.00 0.43 C ATOM 1040 CD2 PHE A 67 29.320 -21.141 2.303 1.00 0.55 C ATOM 1041 CE1 PHE A 67 29.609 -19.696 4.634 1.00 0.46 C ATOM 1042 CE2 PHE A 67 28.796 -19.865 2.394 1.00 0.57 C ATOM 1043 CZ PHE A 67 28.940 -19.142 3.561 1.00 0.51 C ATOM 0 H PHE A 67 27.772 -23.485 3.295 1.00 0.39 H new ATOM 0 HA PHE A 67 30.176 -25.178 3.597 1.00 0.42 H new ATOM 0 HB2 PHE A 67 31.515 -23.123 3.811 1.00 0.46 H new ATOM 0 HB3 PHE A 67 30.808 -23.293 2.217 1.00 0.46 H new ATOM 0 HD1 PHE A 67 30.649 -21.400 5.385 1.00 0.43 H new ATOM 0 HD2 PHE A 67 29.204 -21.700 1.386 1.00 0.55 H new ATOM 0 HE1 PHE A 67 29.726 -19.131 5.547 1.00 0.46 H new ATOM 0 HE2 PHE A 67 28.274 -19.434 1.552 1.00 0.57 H new ATOM 0 HZ PHE A 67 28.530 -18.145 3.634 1.00 0.51 H new ATOM 1053 N HIS A 68 30.556 -24.196 6.041 1.00 0.42 N ATOM 1054 CA HIS A 68 30.522 -24.176 7.504 1.00 0.44 C ATOM 1055 C HIS A 68 31.128 -22.882 8.039 1.00 0.42 C ATOM 1056 O HIS A 68 31.979 -22.277 7.388 1.00 0.44 O ATOM 1057 CB HIS A 68 31.270 -25.386 8.078 1.00 0.53 C ATOM 1058 CG HIS A 68 30.660 -26.703 7.709 1.00 0.89 C ATOM 1059 ND1 HIS A 68 31.166 -27.518 6.719 1.00 1.68 N ATOM 1060 CD2 HIS A 68 29.579 -27.347 8.205 1.00 1.56 C ATOM 1061 CE1 HIS A 68 30.422 -28.604 6.624 1.00 1.98 C ATOM 1062 NE2 HIS A 68 29.452 -28.527 7.516 1.00 1.87 N ATOM 0 H HIS A 68 31.495 -24.282 5.651 1.00 0.42 H new ATOM 0 HA HIS A 68 29.480 -24.228 7.819 1.00 0.44 H new ATOM 0 HB2 HIS A 68 32.302 -25.363 7.728 1.00 0.53 H new ATOM 0 HB3 HIS A 68 31.300 -25.301 9.164 1.00 0.53 H new ATOM 0 HD1 HIS A 68 31.987 -27.314 6.149 1.00 1.68 H new ATOM 0 HD2 HIS A 68 28.934 -26.997 8.998 1.00 1.56 H new ATOM 0 HE1 HIS A 68 30.580 -29.419 5.933 1.00 1.98 H new ATOM 1071 N LEU A 69 30.661 -22.457 9.212 1.00 0.44 N ATOM 1072 CA LEU A 69 31.086 -21.198 9.813 1.00 0.47 C ATOM 1073 C LEU A 69 32.569 -21.250 10.173 1.00 0.49 C ATOM 1074 O LEU A 69 32.974 -22.037 11.032 1.00 0.58 O ATOM 1075 CB LEU A 69 30.258 -20.920 11.075 1.00 0.59 C ATOM 1076 CG LEU A 69 29.762 -19.483 11.265 1.00 0.71 C ATOM 1077 CD1 LEU A 69 30.889 -18.475 11.091 1.00 0.74 C ATOM 1078 CD2 LEU A 69 28.616 -19.191 10.313 1.00 0.95 C ATOM 0 H LEU A 69 29.981 -22.974 9.769 1.00 0.44 H new ATOM 0 HA LEU A 69 30.929 -20.397 9.091 1.00 0.47 H new ATOM 0 HB2 LEU A 69 29.392 -21.582 11.067 1.00 0.59 H new ATOM 0 HB3 LEU A 69 30.858 -21.191 11.943 1.00 0.59 H new ATOM 0 HG LEU A 69 29.397 -19.385 12.287 1.00 0.71 H new ATOM 0 HD11 LEU A 69 30.500 -17.467 11.233 1.00 0.74 H new ATOM 0 HD12 LEU A 69 31.669 -18.670 11.827 1.00 0.74 H new ATOM 0 HD13 LEU A 69 31.306 -18.565 10.088 1.00 0.74 H new ATOM 0 HD21 LEU A 69 28.274 -18.167 10.459 1.00 0.95 H new ATOM 0 HD22 LEU A 69 28.956 -19.317 9.285 1.00 0.95 H new ATOM 0 HD23 LEU A 69 27.795 -19.880 10.510 1.00 0.95 H new ATOM 1090 N GLU A 70 33.344 -20.372 9.541 1.00 0.59 N ATOM 1091 CA GLU A 70 34.802 -20.387 9.628 1.00 0.69 C ATOM 1092 C GLU A 70 35.331 -21.796 9.377 1.00 0.69 C ATOM 1093 O GLU A 70 35.503 -22.606 10.291 1.00 0.96 O ATOM 1094 CB GLU A 70 35.300 -19.843 10.969 1.00 0.95 C ATOM 1095 CG GLU A 70 36.685 -19.211 10.884 1.00 1.12 C ATOM 1096 CD GLU A 70 37.757 -20.184 10.433 1.00 1.47 C ATOM 1097 OE1 GLU A 70 37.973 -20.325 9.207 1.00 1.79 O ATOM 1098 OE2 GLU A 70 38.388 -20.814 11.306 1.00 2.08 O ATOM 0 H GLU A 70 32.976 -19.626 8.951 1.00 0.59 H new ATOM 0 HA GLU A 70 35.189 -19.725 8.854 1.00 0.69 H new ATOM 0 HB2 GLU A 70 34.592 -19.102 11.339 1.00 0.95 H new ATOM 0 HB3 GLU A 70 35.322 -20.654 11.697 1.00 0.95 H new ATOM 0 HG2 GLU A 70 36.652 -18.370 10.192 1.00 1.12 H new ATOM 0 HG3 GLU A 70 36.955 -18.809 11.861 1.00 1.12 H new ATOM 1105 N GLN A 71 35.598 -22.058 8.122 1.00 0.68 N ATOM 1106 CA GLN A 71 35.932 -23.384 7.658 1.00 0.86 C ATOM 1107 C GLN A 71 37.239 -23.335 6.861 1.00 0.83 C ATOM 1108 O GLN A 71 37.677 -24.320 6.266 1.00 0.96 O ATOM 1109 CB GLN A 71 34.728 -23.879 6.839 1.00 1.05 C ATOM 1110 CG GLN A 71 34.998 -24.919 5.773 1.00 0.96 C ATOM 1111 CD GLN A 71 33.746 -25.221 4.981 1.00 1.14 C ATOM 1112 OE1 GLN A 71 33.031 -26.182 5.262 1.00 1.98 O ATOM 1113 NE2 GLN A 71 33.420 -24.340 4.048 1.00 0.97 N ATOM 0 H GLN A 71 35.590 -21.352 7.386 1.00 0.68 H new ATOM 0 HA GLN A 71 36.111 -24.085 8.474 1.00 0.86 H new ATOM 0 HB2 GLN A 71 33.993 -24.288 7.532 1.00 1.05 H new ATOM 0 HB3 GLN A 71 34.267 -23.015 6.360 1.00 1.05 H new ATOM 0 HG2 GLN A 71 35.780 -24.563 5.102 1.00 0.96 H new ATOM 0 HG3 GLN A 71 35.368 -25.833 6.237 1.00 0.96 H new ATOM 0 HE21 GLN A 71 34.042 -23.557 3.846 1.00 0.97 H new ATOM 0 HE22 GLN A 71 32.547 -24.444 3.531 1.00 0.97 H new ATOM 1122 N GLY A 72 37.886 -22.172 6.893 1.00 0.72 N ATOM 1123 CA GLY A 72 39.093 -21.970 6.115 1.00 0.72 C ATOM 1124 C GLY A 72 38.799 -21.544 4.688 1.00 0.67 C ATOM 1125 O GLY A 72 39.669 -21.023 3.995 1.00 0.70 O ATOM 0 H GLY A 72 37.594 -21.366 7.445 1.00 0.72 H new ATOM 0 HA2 GLY A 72 39.710 -21.212 6.597 1.00 0.72 H new ATOM 0 HA3 GLY A 72 39.673 -22.893 6.103 1.00 0.72 H new ATOM 1129 N GLU A 73 37.566 -21.764 4.249 1.00 0.63 N ATOM 1130 CA GLU A 73 37.156 -21.402 2.897 1.00 0.62 C ATOM 1131 C GLU A 73 36.601 -19.981 2.874 1.00 0.57 C ATOM 1132 O GLU A 73 36.463 -19.364 1.818 1.00 0.66 O ATOM 1133 CB GLU A 73 36.091 -22.382 2.392 1.00 0.67 C ATOM 1134 CG GLU A 73 36.498 -23.845 2.508 1.00 0.73 C ATOM 1135 CD GLU A 73 37.689 -24.204 1.639 1.00 0.81 C ATOM 1136 OE1 GLU A 73 37.477 -24.576 0.467 1.00 0.97 O ATOM 1137 OE2 GLU A 73 38.835 -24.142 2.136 1.00 0.92 O ATOM 0 H GLU A 73 36.830 -22.192 4.811 1.00 0.63 H new ATOM 0 HA GLU A 73 38.027 -21.451 2.244 1.00 0.62 H new ATOM 0 HB2 GLU A 73 35.170 -22.225 2.954 1.00 0.67 H new ATOM 0 HB3 GLU A 73 35.870 -22.158 1.349 1.00 0.67 H new ATOM 0 HG2 GLU A 73 36.735 -24.068 3.548 1.00 0.73 H new ATOM 0 HG3 GLU A 73 35.652 -24.474 2.232 1.00 0.73 H new ATOM 1144 N VAL A 74 36.287 -19.462 4.052 1.00 0.50 N ATOM 1145 CA VAL A 74 35.706 -18.134 4.167 1.00 0.45 C ATOM 1146 C VAL A 74 36.607 -17.218 5.000 1.00 0.41 C ATOM 1147 O VAL A 74 36.991 -17.559 6.115 1.00 0.46 O ATOM 1148 CB VAL A 74 34.281 -18.203 4.775 1.00 0.50 C ATOM 1149 CG1 VAL A 74 33.357 -19.015 3.878 1.00 0.58 C ATOM 1150 CG2 VAL A 74 34.297 -18.802 6.174 1.00 0.55 C ATOM 0 H VAL A 74 36.425 -19.941 4.942 1.00 0.50 H new ATOM 0 HA VAL A 74 35.625 -17.713 3.165 1.00 0.45 H new ATOM 0 HB VAL A 74 33.908 -17.181 4.847 1.00 0.50 H new ATOM 0 HG11 VAL A 74 32.361 -19.053 4.320 1.00 0.58 H new ATOM 0 HG12 VAL A 74 33.300 -18.547 2.895 1.00 0.58 H new ATOM 0 HG13 VAL A 74 33.747 -20.028 3.775 1.00 0.58 H new ATOM 0 HG21 VAL A 74 33.281 -18.834 6.568 1.00 0.55 H new ATOM 0 HG22 VAL A 74 34.702 -19.813 6.132 1.00 0.55 H new ATOM 0 HG23 VAL A 74 34.919 -18.188 6.825 1.00 0.55 H new ATOM 1160 N ILE A 75 36.991 -16.081 4.425 1.00 0.38 N ATOM 1161 CA ILE A 75 37.875 -15.144 5.115 1.00 0.40 C ATOM 1162 C ILE A 75 37.120 -13.979 5.750 1.00 0.39 C ATOM 1163 O ILE A 75 37.224 -13.749 6.950 1.00 0.47 O ATOM 1164 CB ILE A 75 39.024 -14.582 4.226 1.00 0.45 C ATOM 1165 CG1 ILE A 75 38.528 -14.024 2.870 1.00 0.46 C ATOM 1166 CG2 ILE A 75 40.099 -15.642 4.014 1.00 0.53 C ATOM 1167 CD1 ILE A 75 38.268 -15.076 1.812 1.00 0.62 C ATOM 0 H ILE A 75 36.707 -15.787 3.490 1.00 0.38 H new ATOM 0 HA ILE A 75 38.328 -15.749 5.900 1.00 0.40 H new ATOM 0 HB ILE A 75 39.453 -13.737 4.766 1.00 0.45 H new ATOM 0 HG12 ILE A 75 37.609 -13.462 3.038 1.00 0.46 H new ATOM 0 HG13 ILE A 75 39.268 -13.320 2.489 1.00 0.46 H new ATOM 0 HG21 ILE A 75 40.895 -15.234 3.391 1.00 0.53 H new ATOM 0 HG22 ILE A 75 40.510 -15.941 4.978 1.00 0.53 H new ATOM 0 HG23 ILE A 75 39.662 -16.510 3.521 1.00 0.53 H new ATOM 0 HD11 ILE A 75 37.924 -14.594 0.897 1.00 0.62 H new ATOM 0 HD12 ILE A 75 39.188 -15.624 1.610 1.00 0.62 H new ATOM 0 HD13 ILE A 75 37.504 -15.768 2.167 1.00 0.62 H new ATOM 1179 N LYS A 76 36.367 -13.237 4.946 1.00 0.33 N ATOM 1180 CA LYS A 76 35.754 -12.005 5.423 1.00 0.35 C ATOM 1181 C LYS A 76 34.321 -11.870 4.943 1.00 0.29 C ATOM 1182 O LYS A 76 33.400 -11.819 5.753 1.00 0.31 O ATOM 1183 CB LYS A 76 36.554 -10.780 4.962 1.00 0.48 C ATOM 1184 CG LYS A 76 37.990 -10.755 5.459 1.00 0.62 C ATOM 1185 CD LYS A 76 38.293 -9.481 6.234 1.00 0.98 C ATOM 1186 CE LYS A 76 37.571 -9.450 7.572 1.00 1.18 C ATOM 1187 NZ LYS A 76 37.878 -8.219 8.349 1.00 2.04 N ATOM 0 H LYS A 76 36.168 -13.464 3.972 1.00 0.33 H new ATOM 0 HA LYS A 76 35.756 -12.053 6.512 1.00 0.35 H new ATOM 0 HB2 LYS A 76 36.557 -10.750 3.872 1.00 0.48 H new ATOM 0 HB3 LYS A 76 36.046 -9.878 5.304 1.00 0.48 H new ATOM 0 HG2 LYS A 76 38.170 -11.621 6.096 1.00 0.62 H new ATOM 0 HG3 LYS A 76 38.670 -10.836 4.611 1.00 0.62 H new ATOM 0 HD2 LYS A 76 39.368 -9.402 6.399 1.00 0.98 H new ATOM 0 HD3 LYS A 76 37.997 -8.616 5.641 1.00 0.98 H new ATOM 0 HE2 LYS A 76 36.496 -9.513 7.404 1.00 1.18 H new ATOM 0 HE3 LYS A 76 37.854 -10.326 8.156 1.00 1.18 H new ATOM 0 HZ1 LYS A 76 38.391 -8.475 9.217 1.00 2.04 H new ATOM 0 HZ2 LYS A 76 38.467 -7.583 7.774 1.00 2.04 H new ATOM 0 HZ3 LYS A 76 36.991 -7.737 8.600 1.00 2.04 H new ATOM 1201 N GLY A 77 34.142 -11.823 3.623 1.00 0.29 N ATOM 1202 CA GLY A 77 32.832 -11.553 3.053 1.00 0.30 C ATOM 1203 C GLY A 77 31.761 -12.475 3.586 1.00 0.27 C ATOM 1204 O GLY A 77 30.737 -12.017 4.083 1.00 0.32 O ATOM 0 H GLY A 77 34.883 -11.968 2.938 1.00 0.29 H new ATOM 0 HA2 GLY A 77 32.554 -10.520 3.265 1.00 0.30 H new ATOM 0 HA3 GLY A 77 32.885 -11.653 1.969 1.00 0.30 H new ATOM 1208 N TRP A 78 32.002 -13.771 3.511 1.00 0.24 N ATOM 1209 CA TRP A 78 31.046 -14.732 4.019 1.00 0.26 C ATOM 1210 C TRP A 78 31.082 -14.764 5.537 1.00 0.29 C ATOM 1211 O TRP A 78 30.054 -14.611 6.175 1.00 0.30 O ATOM 1212 CB TRP A 78 31.323 -16.129 3.473 1.00 0.28 C ATOM 1213 CG TRP A 78 31.418 -16.175 1.978 1.00 0.29 C ATOM 1214 CD1 TRP A 78 30.384 -16.312 1.097 1.00 0.32 C ATOM 1215 CD2 TRP A 78 32.614 -16.082 1.186 1.00 0.34 C ATOM 1216 NE1 TRP A 78 30.860 -16.303 -0.191 1.00 0.36 N ATOM 1217 CE2 TRP A 78 32.223 -16.164 -0.164 1.00 0.37 C ATOM 1218 CE3 TRP A 78 33.973 -15.929 1.486 1.00 0.40 C ATOM 1219 CZ2 TRP A 78 33.143 -16.107 -1.209 1.00 0.43 C ATOM 1220 CZ3 TRP A 78 34.880 -15.875 0.446 1.00 0.48 C ATOM 1221 CH2 TRP A 78 34.462 -15.958 -0.886 1.00 0.49 C ATOM 0 H TRP A 78 32.845 -14.178 3.106 1.00 0.24 H new ATOM 0 HA TRP A 78 30.056 -14.420 3.687 1.00 0.26 H new ATOM 0 HB2 TRP A 78 32.254 -16.500 3.901 1.00 0.28 H new ATOM 0 HB3 TRP A 78 30.531 -16.803 3.800 1.00 0.28 H new ATOM 0 HD1 TRP A 78 29.345 -16.413 1.373 1.00 0.32 H new ATOM 0 HE1 TRP A 78 30.290 -16.386 -1.033 1.00 0.36 H new ATOM 0 HE3 TRP A 78 34.306 -15.855 2.511 1.00 0.40 H new ATOM 0 HZ2 TRP A 78 32.824 -16.178 -2.238 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 35.932 -15.767 0.665 1.00 0.48 H new ATOM 0 HH2 TRP A 78 35.197 -15.903 -1.675 1.00 0.49 H new ATOM 1232 N ASP A 79 32.282 -14.923 6.099 1.00 0.35 N ATOM 1233 CA ASP A 79 32.453 -15.156 7.540 1.00 0.42 C ATOM 1234 C ASP A 79 31.773 -14.081 8.380 1.00 0.43 C ATOM 1235 O ASP A 79 30.975 -14.388 9.262 1.00 0.47 O ATOM 1236 CB ASP A 79 33.935 -15.228 7.900 1.00 0.52 C ATOM 1237 CG ASP A 79 34.157 -15.564 9.364 1.00 0.76 C ATOM 1238 OD1 ASP A 79 33.979 -16.744 9.742 1.00 1.14 O ATOM 1239 OD2 ASP A 79 34.518 -14.650 10.138 1.00 0.90 O ATOM 0 H ASP A 79 33.157 -14.895 5.576 1.00 0.35 H new ATOM 0 HA ASP A 79 31.976 -16.110 7.766 1.00 0.42 H new ATOM 0 HB2 ASP A 79 34.421 -15.980 7.279 1.00 0.52 H new ATOM 0 HB3 ASP A 79 34.409 -14.273 7.673 1.00 0.52 H new ATOM 1244 N ILE A 80 32.067 -12.825 8.089 1.00 0.45 N ATOM 1245 CA ILE A 80 31.489 -11.724 8.851 1.00 0.52 C ATOM 1246 C ILE A 80 29.975 -11.667 8.643 1.00 0.47 C ATOM 1247 O ILE A 80 29.217 -11.405 9.582 1.00 0.56 O ATOM 1248 CB ILE A 80 32.129 -10.357 8.483 1.00 0.63 C ATOM 1249 CG1 ILE A 80 33.500 -10.190 9.147 1.00 0.75 C ATOM 1250 CG2 ILE A 80 31.224 -9.195 8.875 1.00 0.78 C ATOM 1251 CD1 ILE A 80 34.549 -11.160 8.660 1.00 0.70 C ATOM 0 H ILE A 80 32.696 -12.541 7.338 1.00 0.45 H new ATOM 0 HA ILE A 80 31.702 -11.915 9.903 1.00 0.52 H new ATOM 0 HB ILE A 80 32.259 -10.347 7.401 1.00 0.63 H new ATOM 0 HG12 ILE A 80 33.853 -9.174 8.973 1.00 0.75 H new ATOM 0 HG13 ILE A 80 33.385 -10.308 10.225 1.00 0.75 H new ATOM 0 HG21 ILE A 80 31.702 -8.254 8.603 1.00 0.78 H new ATOM 0 HG22 ILE A 80 30.272 -9.283 8.352 1.00 0.78 H new ATOM 0 HG23 ILE A 80 31.050 -9.216 9.951 1.00 0.78 H new ATOM 0 HD11 ILE A 80 35.488 -10.972 9.181 1.00 0.70 H new ATOM 0 HD12 ILE A 80 34.221 -12.180 8.859 1.00 0.70 H new ATOM 0 HD13 ILE A 80 34.696 -11.029 7.588 1.00 0.70 H new ATOM 1263 N CYS A 81 29.530 -11.932 7.419 1.00 0.38 N ATOM 1264 CA CYS A 81 28.108 -11.904 7.117 1.00 0.40 C ATOM 1265 C CYS A 81 27.385 -13.054 7.811 1.00 0.35 C ATOM 1266 O CYS A 81 26.341 -12.847 8.422 1.00 0.42 O ATOM 1267 CB CYS A 81 27.864 -11.964 5.610 1.00 0.44 C ATOM 1268 SG CYS A 81 26.122 -11.798 5.137 1.00 0.55 S ATOM 0 H CYS A 81 30.130 -12.166 6.628 1.00 0.38 H new ATOM 0 HA CYS A 81 27.709 -10.962 7.492 1.00 0.40 H new ATOM 0 HB2 CYS A 81 28.438 -11.172 5.128 1.00 0.44 H new ATOM 0 HB3 CYS A 81 28.245 -12.911 5.228 1.00 0.44 H new ATOM 0 HG CYS A 81 25.366 -12.115 6.146 1.00 0.55 H new ATOM 1274 N VAL A 82 27.953 -14.258 7.724 1.00 0.30 N ATOM 1275 CA VAL A 82 27.344 -15.435 8.334 1.00 0.34 C ATOM 1276 C VAL A 82 27.380 -15.338 9.856 1.00 0.39 C ATOM 1277 O VAL A 82 26.474 -15.816 10.532 1.00 0.48 O ATOM 1278 CB VAL A 82 27.989 -16.766 7.874 1.00 0.36 C ATOM 1279 CG1 VAL A 82 27.729 -17.000 6.401 1.00 0.84 C ATOM 1280 CG2 VAL A 82 29.478 -16.797 8.158 1.00 0.73 C ATOM 0 H VAL A 82 28.831 -14.441 7.238 1.00 0.30 H new ATOM 0 HA VAL A 82 26.309 -15.448 7.993 1.00 0.34 H new ATOM 0 HB VAL A 82 27.527 -17.569 8.448 1.00 0.36 H new ATOM 0 HG11 VAL A 82 28.189 -17.939 6.095 1.00 0.84 H new ATOM 0 HG12 VAL A 82 26.654 -17.048 6.224 1.00 0.84 H new ATOM 0 HG13 VAL A 82 28.156 -16.181 5.822 1.00 0.84 H new ATOM 0 HG21 VAL A 82 29.893 -17.747 7.821 1.00 0.73 H new ATOM 0 HG22 VAL A 82 29.967 -15.979 7.628 1.00 0.73 H new ATOM 0 HG23 VAL A 82 29.646 -16.687 9.229 1.00 0.73 H new ATOM 1290 N SER A 83 28.429 -14.710 10.378 1.00 0.39 N ATOM 1291 CA SER A 83 28.545 -14.448 11.806 1.00 0.49 C ATOM 1292 C SER A 83 27.395 -13.559 12.285 1.00 0.48 C ATOM 1293 O SER A 83 26.840 -13.765 13.365 1.00 0.60 O ATOM 1294 CB SER A 83 29.897 -13.787 12.092 1.00 0.63 C ATOM 1295 OG SER A 83 29.983 -13.321 13.427 1.00 1.43 O ATOM 0 H SER A 83 29.217 -14.371 9.826 1.00 0.39 H new ATOM 0 HA SER A 83 28.487 -15.391 12.350 1.00 0.49 H new ATOM 0 HB2 SER A 83 30.698 -14.502 11.904 1.00 0.63 H new ATOM 0 HB3 SER A 83 30.046 -12.953 11.406 1.00 0.63 H new ATOM 0 HG SER A 83 30.029 -12.342 13.429 1.00 1.43 H new ATOM 1301 N SER A 84 27.030 -12.583 11.465 1.00 0.50 N ATOM 1302 CA SER A 84 25.952 -11.662 11.794 1.00 0.53 C ATOM 1303 C SER A 84 24.614 -12.156 11.237 1.00 0.51 C ATOM 1304 O SER A 84 23.748 -11.354 10.881 1.00 0.64 O ATOM 1305 CB SER A 84 26.265 -10.279 11.229 1.00 0.69 C ATOM 1306 OG SER A 84 27.529 -9.802 11.668 1.00 1.23 O ATOM 0 H SER A 84 27.469 -12.408 10.561 1.00 0.50 H new ATOM 0 HA SER A 84 25.871 -11.606 12.880 1.00 0.53 H new ATOM 0 HB2 SER A 84 26.251 -10.320 10.140 1.00 0.69 H new ATOM 0 HB3 SER A 84 25.487 -9.578 11.532 1.00 0.69 H new ATOM 0 HG SER A 84 27.915 -10.438 12.306 1.00 1.23 H new ATOM 1312 N MET A 85 24.450 -13.470 11.163 1.00 0.46 N ATOM 1313 CA MET A 85 23.196 -14.061 10.711 1.00 0.49 C ATOM 1314 C MET A 85 22.417 -14.618 11.892 1.00 0.49 C ATOM 1315 O MET A 85 22.905 -14.614 13.023 1.00 0.74 O ATOM 1316 CB MET A 85 23.454 -15.174 9.693 1.00 0.54 C ATOM 1317 CG MET A 85 23.979 -14.683 8.356 1.00 0.63 C ATOM 1318 SD MET A 85 22.735 -13.819 7.387 1.00 1.05 S ATOM 1319 CE MET A 85 21.568 -15.149 7.110 1.00 2.27 C ATOM 0 H MET A 85 25.170 -14.148 11.410 1.00 0.46 H new ATOM 0 HA MET A 85 22.609 -13.278 10.232 1.00 0.49 H new ATOM 0 HB2 MET A 85 24.170 -15.879 10.115 1.00 0.54 H new ATOM 0 HB3 MET A 85 22.527 -15.722 9.528 1.00 0.54 H new ATOM 0 HG2 MET A 85 24.825 -14.018 8.526 1.00 0.63 H new ATOM 0 HG3 MET A 85 24.352 -15.533 7.784 1.00 0.63 H new ATOM 0 HE1 MET A 85 20.983 -14.939 6.215 1.00 2.27 H new ATOM 0 HE2 MET A 85 22.109 -16.086 6.978 1.00 2.27 H new ATOM 0 HE3 MET A 85 20.901 -15.232 7.968 1.00 2.27 H new ATOM 1329 N ARG A 86 21.208 -15.096 11.630 1.00 0.45 N ATOM 1330 CA ARG A 86 20.351 -15.654 12.671 1.00 0.46 C ATOM 1331 C ARG A 86 19.535 -16.818 12.119 1.00 0.49 C ATOM 1332 O ARG A 86 19.445 -16.990 10.905 1.00 0.57 O ATOM 1333 CB ARG A 86 19.436 -14.563 13.246 1.00 0.49 C ATOM 1334 CG ARG A 86 20.194 -13.523 14.059 1.00 0.96 C ATOM 1335 CD ARG A 86 19.390 -12.253 14.281 1.00 1.24 C ATOM 1336 NE ARG A 86 20.147 -11.271 15.056 1.00 2.20 N ATOM 1337 CZ ARG A 86 20.855 -10.274 14.517 1.00 3.10 C ATOM 1338 NH1 ARG A 86 20.928 -10.126 13.198 1.00 3.34 N ATOM 1339 NH2 ARG A 86 21.515 -9.437 15.305 1.00 4.19 N ATOM 0 H ARG A 86 20.795 -15.109 10.698 1.00 0.45 H new ATOM 0 HA ARG A 86 20.977 -16.034 13.478 1.00 0.46 H new ATOM 0 HB2 ARG A 86 18.912 -14.067 12.429 1.00 0.49 H new ATOM 0 HB3 ARG A 86 18.677 -15.027 13.876 1.00 0.49 H new ATOM 0 HG2 ARG A 86 20.466 -13.950 15.025 1.00 0.96 H new ATOM 0 HG3 ARG A 86 21.124 -13.275 13.547 1.00 0.96 H new ATOM 0 HD2 ARG A 86 19.112 -11.823 13.318 1.00 1.24 H new ATOM 0 HD3 ARG A 86 18.463 -12.494 14.802 1.00 1.24 H new ATOM 0 HE ARG A 86 20.134 -11.352 16.073 1.00 2.20 H new ATOM 0 HH11 ARG A 86 20.440 -10.778 12.584 1.00 3.34 H new ATOM 0 HH12 ARG A 86 21.472 -9.360 12.800 1.00 3.34 H new ATOM 0 HH21 ARG A 86 21.481 -9.556 16.317 1.00 4.19 H new ATOM 0 HH22 ARG A 86 22.057 -8.674 14.899 1.00 4.19 H new ATOM 1353 N LYS A 87 18.939 -17.599 13.022 1.00 0.51 N ATOM 1354 CA LYS A 87 18.246 -18.845 12.666 1.00 0.59 C ATOM 1355 C LYS A 87 17.188 -18.632 11.578 1.00 0.59 C ATOM 1356 O LYS A 87 16.977 -19.495 10.730 1.00 0.74 O ATOM 1357 CB LYS A 87 17.604 -19.457 13.917 1.00 0.68 C ATOM 1358 CG LYS A 87 16.967 -20.822 13.682 1.00 0.84 C ATOM 1359 CD LYS A 87 16.432 -21.412 14.976 1.00 1.03 C ATOM 1360 CE LYS A 87 15.842 -22.802 14.769 1.00 1.26 C ATOM 1361 NZ LYS A 87 14.648 -22.784 13.880 1.00 1.94 N ATOM 0 H LYS A 87 18.921 -17.389 14.020 1.00 0.51 H new ATOM 0 HA LYS A 87 18.990 -19.531 12.260 1.00 0.59 H new ATOM 0 HB2 LYS A 87 18.363 -19.550 14.694 1.00 0.68 H new ATOM 0 HB3 LYS A 87 16.844 -18.773 14.295 1.00 0.68 H new ATOM 0 HG2 LYS A 87 16.156 -20.728 12.960 1.00 0.84 H new ATOM 0 HG3 LYS A 87 17.703 -21.499 13.248 1.00 0.84 H new ATOM 0 HD2 LYS A 87 17.236 -21.465 15.710 1.00 1.03 H new ATOM 0 HD3 LYS A 87 15.668 -20.752 15.387 1.00 1.03 H new ATOM 0 HE2 LYS A 87 16.601 -23.456 14.340 1.00 1.26 H new ATOM 0 HE3 LYS A 87 15.566 -23.224 15.735 1.00 1.26 H new ATOM 0 HZ1 LYS A 87 14.203 -23.724 13.877 1.00 1.94 H new ATOM 0 HZ2 LYS A 87 13.967 -22.079 14.228 1.00 1.94 H new ATOM 0 HZ3 LYS A 87 14.939 -22.536 12.913 1.00 1.94 H new ATOM 1375 N ASN A 88 16.526 -17.486 11.602 1.00 0.55 N ATOM 1376 CA ASN A 88 15.501 -17.181 10.608 1.00 0.66 C ATOM 1377 C ASN A 88 15.804 -15.861 9.916 1.00 0.60 C ATOM 1378 O ASN A 88 14.907 -15.060 9.666 1.00 0.71 O ATOM 1379 CB ASN A 88 14.107 -17.124 11.246 1.00 0.79 C ATOM 1380 CG ASN A 88 13.581 -18.492 11.635 1.00 0.96 C ATOM 1381 OD1 ASN A 88 13.014 -19.208 10.809 1.00 1.23 O ATOM 1382 ND2 ASN A 88 13.741 -18.853 12.898 1.00 1.20 N ATOM 0 H ASN A 88 16.677 -16.752 12.295 1.00 0.55 H new ATOM 0 HA ASN A 88 15.510 -17.982 9.869 1.00 0.66 H new ATOM 0 HB2 ASN A 88 14.144 -16.489 12.131 1.00 0.79 H new ATOM 0 HB3 ASN A 88 13.412 -16.658 10.548 1.00 0.79 H new ATOM 0 HD21 ASN A 88 13.388 -19.755 13.219 1.00 1.20 H new ATOM 0 HD22 ASN A 88 14.217 -18.230 13.550 1.00 1.20 H new ATOM 1389 N GLU A 89 17.066 -15.641 9.599 1.00 0.50 N ATOM 1390 CA GLU A 89 17.485 -14.400 8.963 1.00 0.46 C ATOM 1391 C GLU A 89 18.062 -14.686 7.578 1.00 0.47 C ATOM 1392 O GLU A 89 18.535 -15.794 7.316 1.00 0.65 O ATOM 1393 CB GLU A 89 18.503 -13.691 9.861 1.00 0.50 C ATOM 1394 CG GLU A 89 18.849 -12.269 9.441 1.00 0.48 C ATOM 1395 CD GLU A 89 19.384 -11.443 10.596 1.00 1.01 C ATOM 1396 OE1 GLU A 89 20.567 -11.600 10.946 1.00 1.60 O ATOM 1397 OE2 GLU A 89 18.611 -10.645 11.170 1.00 1.38 O ATOM 0 H GLU A 89 17.822 -16.304 9.770 1.00 0.50 H new ATOM 0 HA GLU A 89 16.625 -13.743 8.830 1.00 0.46 H new ATOM 0 HB2 GLU A 89 18.114 -13.669 10.879 1.00 0.50 H new ATOM 0 HB3 GLU A 89 19.419 -14.281 9.883 1.00 0.50 H new ATOM 0 HG2 GLU A 89 19.591 -12.298 8.643 1.00 0.48 H new ATOM 0 HG3 GLU A 89 17.961 -11.787 9.033 1.00 0.48 H new ATOM 1404 N LYS A 90 17.997 -13.700 6.689 1.00 0.39 N ATOM 1405 CA LYS A 90 18.472 -13.867 5.322 1.00 0.40 C ATOM 1406 C LYS A 90 19.020 -12.540 4.793 1.00 0.39 C ATOM 1407 O LYS A 90 18.284 -11.557 4.671 1.00 0.47 O ATOM 1408 CB LYS A 90 17.326 -14.389 4.443 1.00 0.50 C ATOM 1409 CG LYS A 90 17.741 -14.857 3.054 1.00 0.56 C ATOM 1410 CD LYS A 90 17.818 -13.709 2.064 1.00 0.93 C ATOM 1411 CE LYS A 90 18.259 -14.180 0.688 1.00 0.85 C ATOM 1412 NZ LYS A 90 17.275 -15.108 0.060 1.00 1.17 N ATOM 0 H LYS A 90 17.619 -12.775 6.893 1.00 0.39 H new ATOM 0 HA LYS A 90 19.282 -14.596 5.299 1.00 0.40 H new ATOM 0 HB2 LYS A 90 16.841 -15.218 4.959 1.00 0.50 H new ATOM 0 HB3 LYS A 90 16.582 -13.600 4.337 1.00 0.50 H new ATOM 0 HG2 LYS A 90 18.711 -15.350 3.113 1.00 0.56 H new ATOM 0 HG3 LYS A 90 17.028 -15.599 2.694 1.00 0.56 H new ATOM 0 HD2 LYS A 90 16.843 -13.228 1.988 1.00 0.93 H new ATOM 0 HD3 LYS A 90 18.516 -12.957 2.432 1.00 0.93 H new ATOM 0 HE2 LYS A 90 18.403 -13.315 0.040 1.00 0.85 H new ATOM 0 HE3 LYS A 90 19.224 -14.680 0.771 1.00 0.85 H new ATOM 0 HZ1 LYS A 90 17.339 -15.033 -0.975 1.00 1.17 H new ATOM 0 HZ2 LYS A 90 17.485 -16.085 0.350 1.00 1.17 H new ATOM 0 HZ3 LYS A 90 16.314 -14.855 0.367 1.00 1.17 H new ATOM 1426 N CYS A 91 20.308 -12.521 4.474 1.00 0.35 N ATOM 1427 CA CYS A 91 20.971 -11.291 4.054 1.00 0.38 C ATOM 1428 C CYS A 91 21.650 -11.442 2.693 1.00 0.32 C ATOM 1429 O CYS A 91 21.888 -12.556 2.220 1.00 0.37 O ATOM 1430 CB CYS A 91 22.014 -10.877 5.092 1.00 0.48 C ATOM 1431 SG CYS A 91 21.351 -10.600 6.748 1.00 1.20 S ATOM 0 H CYS A 91 20.914 -13.341 4.498 1.00 0.35 H new ATOM 0 HA CYS A 91 20.202 -10.523 3.967 1.00 0.38 H new ATOM 0 HB2 CYS A 91 22.781 -11.649 5.146 1.00 0.48 H new ATOM 0 HB3 CYS A 91 22.504 -9.964 4.753 1.00 0.48 H new ATOM 0 HG CYS A 91 21.616 -11.627 7.499 1.00 1.20 H new ATOM 1437 N LEU A 92 21.950 -10.302 2.076 1.00 0.31 N ATOM 1438 CA LEU A 92 22.705 -10.258 0.826 1.00 0.32 C ATOM 1439 C LEU A 92 24.064 -9.624 1.072 1.00 0.28 C ATOM 1440 O LEU A 92 24.156 -8.440 1.402 1.00 0.39 O ATOM 1441 CB LEU A 92 21.967 -9.447 -0.243 1.00 0.40 C ATOM 1442 CG LEU A 92 21.068 -10.237 -1.202 1.00 0.79 C ATOM 1443 CD1 LEU A 92 21.896 -11.175 -2.062 1.00 1.39 C ATOM 1444 CD2 LEU A 92 20.005 -11.013 -0.443 1.00 1.73 C ATOM 0 H LEU A 92 21.677 -9.384 2.427 1.00 0.31 H new ATOM 0 HA LEU A 92 22.822 -11.281 0.469 1.00 0.32 H new ATOM 0 HB2 LEU A 92 21.355 -8.698 0.259 1.00 0.40 H new ATOM 0 HB3 LEU A 92 22.708 -8.909 -0.835 1.00 0.40 H new ATOM 0 HG LEU A 92 20.565 -9.522 -1.853 1.00 0.79 H new ATOM 0 HD11 LEU A 92 21.239 -11.726 -2.735 1.00 1.39 H new ATOM 0 HD12 LEU A 92 22.612 -10.597 -2.646 1.00 1.39 H new ATOM 0 HD13 LEU A 92 22.432 -11.877 -1.423 1.00 1.39 H new ATOM 0 HD21 LEU A 92 19.383 -11.563 -1.149 1.00 1.73 H new ATOM 0 HD22 LEU A 92 20.485 -11.713 0.241 1.00 1.73 H new ATOM 0 HD23 LEU A 92 19.384 -10.320 0.124 1.00 1.73 H new ATOM 1456 N VAL A 93 25.111 -10.402 0.906 1.00 0.25 N ATOM 1457 CA VAL A 93 26.456 -9.937 1.205 1.00 0.25 C ATOM 1458 C VAL A 93 27.220 -9.608 -0.079 1.00 0.23 C ATOM 1459 O VAL A 93 27.003 -10.234 -1.117 1.00 0.26 O ATOM 1460 CB VAL A 93 27.236 -10.986 2.029 1.00 0.34 C ATOM 1461 CG1 VAL A 93 27.320 -12.310 1.294 1.00 0.74 C ATOM 1462 CG2 VAL A 93 28.629 -10.490 2.369 1.00 0.60 C ATOM 0 H VAL A 93 25.061 -11.362 0.565 1.00 0.25 H new ATOM 0 HA VAL A 93 26.364 -9.028 1.799 1.00 0.25 H new ATOM 0 HB VAL A 93 26.687 -11.141 2.958 1.00 0.34 H new ATOM 0 HG11 VAL A 93 27.874 -13.027 1.899 1.00 0.74 H new ATOM 0 HG12 VAL A 93 26.315 -12.689 1.112 1.00 0.74 H new ATOM 0 HG13 VAL A 93 27.831 -12.166 0.342 1.00 0.74 H new ATOM 0 HG21 VAL A 93 29.154 -11.249 2.949 1.00 0.60 H new ATOM 0 HG22 VAL A 93 29.179 -10.291 1.449 1.00 0.60 H new ATOM 0 HG23 VAL A 93 28.556 -9.573 2.953 1.00 0.60 H new ATOM 1472 N ARG A 94 28.107 -8.617 -0.007 1.00 0.25 N ATOM 1473 CA ARG A 94 28.893 -8.210 -1.161 1.00 0.30 C ATOM 1474 C ARG A 94 30.328 -8.705 -1.003 1.00 0.33 C ATOM 1475 O ARG A 94 31.055 -8.257 -0.115 1.00 0.38 O ATOM 1476 CB ARG A 94 28.892 -6.682 -1.305 1.00 0.40 C ATOM 1477 CG ARG A 94 27.539 -6.031 -1.068 1.00 0.92 C ATOM 1478 CD ARG A 94 26.500 -6.452 -2.089 1.00 0.65 C ATOM 1479 NE ARG A 94 25.191 -5.902 -1.750 1.00 0.89 N ATOM 1480 CZ ARG A 94 24.539 -5.017 -2.500 1.00 1.05 C ATOM 1481 NH1 ARG A 94 25.029 -4.639 -3.670 1.00 1.71 N ATOM 1482 NH2 ARG A 94 23.381 -4.521 -2.083 1.00 1.58 N ATOM 0 H ARG A 94 28.296 -8.083 0.841 1.00 0.25 H new ATOM 0 HA ARG A 94 28.448 -8.646 -2.056 1.00 0.30 H new ATOM 0 HB2 ARG A 94 29.612 -6.262 -0.602 1.00 0.40 H new ATOM 0 HB3 ARG A 94 29.236 -6.423 -2.306 1.00 0.40 H new ATOM 0 HG2 ARG A 94 27.186 -6.289 -0.069 1.00 0.92 H new ATOM 0 HG3 ARG A 94 27.652 -4.947 -1.096 1.00 0.92 H new ATOM 0 HD2 ARG A 94 26.798 -6.110 -3.080 1.00 0.65 H new ATOM 0 HD3 ARG A 94 26.443 -7.540 -2.130 1.00 0.65 H new ATOM 0 HE ARG A 94 24.749 -6.215 -0.886 1.00 0.89 H new ATOM 0 HH11 ARG A 94 25.912 -5.027 -4.002 1.00 1.71 H new ATOM 0 HH12 ARG A 94 24.524 -3.960 -4.239 1.00 1.71 H new ATOM 0 HH21 ARG A 94 22.991 -4.818 -1.188 1.00 1.58 H new ATOM 0 HH22 ARG A 94 22.880 -3.843 -2.657 1.00 1.58 H new ATOM 1496 N ILE A 95 30.729 -9.640 -1.843 1.00 0.35 N ATOM 1497 CA ILE A 95 32.085 -10.150 -1.805 1.00 0.38 C ATOM 1498 C ILE A 95 32.947 -9.386 -2.797 1.00 0.41 C ATOM 1499 O ILE A 95 32.809 -9.539 -4.010 1.00 0.45 O ATOM 1500 CB ILE A 95 32.156 -11.677 -2.088 1.00 0.43 C ATOM 1501 CG1 ILE A 95 31.650 -12.485 -0.882 1.00 0.47 C ATOM 1502 CG2 ILE A 95 33.580 -12.108 -2.433 1.00 0.52 C ATOM 1503 CD1 ILE A 95 30.165 -12.362 -0.610 1.00 0.51 C ATOM 0 H ILE A 95 30.136 -10.061 -2.558 1.00 0.35 H new ATOM 0 HA ILE A 95 32.464 -10.000 -0.794 1.00 0.38 H new ATOM 0 HB ILE A 95 31.512 -11.879 -2.944 1.00 0.43 H new ATOM 0 HG12 ILE A 95 31.890 -13.536 -1.041 1.00 0.47 H new ATOM 0 HG13 ILE A 95 32.195 -12.165 0.006 1.00 0.47 H new ATOM 0 HG21 ILE A 95 33.599 -13.181 -2.626 1.00 0.52 H new ATOM 0 HG22 ILE A 95 33.917 -11.574 -3.321 1.00 0.52 H new ATOM 0 HG23 ILE A 95 34.242 -11.878 -1.598 1.00 0.52 H new ATOM 0 HD11 ILE A 95 29.903 -12.967 0.258 1.00 0.51 H new ATOM 0 HD12 ILE A 95 29.916 -11.319 -0.415 1.00 0.51 H new ATOM 0 HD13 ILE A 95 29.606 -12.712 -1.478 1.00 0.51 H new ATOM 1515 N GLU A 96 33.786 -8.515 -2.265 1.00 0.43 N ATOM 1516 CA GLU A 96 34.749 -7.796 -3.072 1.00 0.49 C ATOM 1517 C GLU A 96 36.067 -8.565 -3.056 1.00 0.45 C ATOM 1518 O GLU A 96 36.185 -9.564 -2.345 1.00 0.45 O ATOM 1519 CB GLU A 96 34.940 -6.374 -2.525 1.00 0.55 C ATOM 1520 CG GLU A 96 35.495 -5.393 -3.547 1.00 0.77 C ATOM 1521 CD GLU A 96 35.607 -3.983 -3.013 1.00 0.88 C ATOM 1522 OE1 GLU A 96 36.657 -3.643 -2.429 1.00 1.37 O ATOM 1523 OE2 GLU A 96 34.650 -3.203 -3.192 1.00 1.19 O ATOM 0 H GLU A 96 33.818 -8.289 -1.271 1.00 0.43 H new ATOM 0 HA GLU A 96 34.391 -7.713 -4.098 1.00 0.49 H new ATOM 0 HB2 GLU A 96 33.982 -6.003 -2.162 1.00 0.55 H new ATOM 0 HB3 GLU A 96 35.613 -6.411 -1.668 1.00 0.55 H new ATOM 0 HG2 GLU A 96 36.479 -5.732 -3.871 1.00 0.77 H new ATOM 0 HG3 GLU A 96 34.853 -5.392 -4.428 1.00 0.77 H new ATOM 1530 N SER A 97 37.039 -8.107 -3.831 1.00 0.49 N ATOM 1531 CA SER A 97 38.357 -8.730 -3.896 1.00 0.54 C ATOM 1532 C SER A 97 38.931 -8.977 -2.498 1.00 0.52 C ATOM 1533 O SER A 97 39.432 -10.060 -2.203 1.00 0.59 O ATOM 1534 CB SER A 97 39.296 -7.821 -4.686 1.00 0.64 C ATOM 1535 OG SER A 97 38.567 -7.040 -5.616 1.00 1.00 O ATOM 0 H SER A 97 36.938 -7.291 -4.435 1.00 0.49 H new ATOM 0 HA SER A 97 38.260 -9.697 -4.390 1.00 0.54 H new ATOM 0 HB2 SER A 97 39.840 -7.169 -4.003 1.00 0.64 H new ATOM 0 HB3 SER A 97 40.038 -8.423 -5.211 1.00 0.64 H new ATOM 0 HG SER A 97 39.184 -6.462 -6.112 1.00 1.00 H new ATOM 1541 N MET A 98 38.830 -7.965 -1.640 1.00 0.48 N ATOM 1542 CA MET A 98 39.384 -8.027 -0.289 1.00 0.53 C ATOM 1543 C MET A 98 38.498 -8.840 0.658 1.00 0.49 C ATOM 1544 O MET A 98 38.884 -9.114 1.794 1.00 0.58 O ATOM 1545 CB MET A 98 39.590 -6.615 0.266 1.00 0.59 C ATOM 1546 CG MET A 98 38.310 -5.799 0.357 1.00 0.57 C ATOM 1547 SD MET A 98 38.594 -4.113 0.933 1.00 0.79 S ATOM 1548 CE MET A 98 39.596 -3.457 -0.402 1.00 1.79 C ATOM 0 H MET A 98 38.365 -7.084 -1.859 1.00 0.48 H new ATOM 0 HA MET A 98 40.347 -8.534 -0.355 1.00 0.53 H new ATOM 0 HB2 MET A 98 40.036 -6.686 1.258 1.00 0.59 H new ATOM 0 HB3 MET A 98 40.303 -6.086 -0.367 1.00 0.59 H new ATOM 0 HG2 MET A 98 37.834 -5.768 -0.623 1.00 0.57 H new ATOM 0 HG3 MET A 98 37.615 -6.297 1.033 1.00 0.57 H new ATOM 0 HE1 MET A 98 39.543 -2.368 -0.395 1.00 1.79 H new ATOM 0 HE2 MET A 98 40.631 -3.771 -0.268 1.00 1.79 H new ATOM 0 HE3 MET A 98 39.223 -3.832 -1.355 1.00 1.79 H new ATOM 1558 N TYR A 99 37.312 -9.217 0.201 1.00 0.41 N ATOM 1559 CA TYR A 99 36.385 -9.974 1.037 1.00 0.43 C ATOM 1560 C TYR A 99 36.401 -11.447 0.655 1.00 0.49 C ATOM 1561 O TYR A 99 35.967 -12.307 1.429 1.00 0.48 O ATOM 1562 CB TYR A 99 34.961 -9.417 0.918 1.00 0.43 C ATOM 1563 CG TYR A 99 34.821 -7.975 1.351 1.00 0.46 C ATOM 1564 CD1 TYR A 99 35.628 -7.442 2.344 1.00 0.51 C ATOM 1565 CD2 TYR A 99 33.876 -7.149 0.761 1.00 0.53 C ATOM 1566 CE1 TYR A 99 35.498 -6.124 2.736 1.00 0.59 C ATOM 1567 CE2 TYR A 99 33.738 -5.829 1.147 1.00 0.62 C ATOM 1568 CZ TYR A 99 34.551 -5.320 2.137 1.00 0.63 C ATOM 1569 OH TYR A 99 34.427 -4.002 2.525 1.00 0.75 O ATOM 0 H TYR A 99 36.969 -9.014 -0.738 1.00 0.41 H new ATOM 0 HA TYR A 99 36.710 -9.875 2.073 1.00 0.43 H new ATOM 0 HB2 TYR A 99 34.633 -9.507 -0.118 1.00 0.43 H new ATOM 0 HB3 TYR A 99 34.291 -10.032 1.519 1.00 0.43 H new ATOM 0 HD1 TYR A 99 36.370 -8.067 2.819 1.00 0.51 H new ATOM 0 HD2 TYR A 99 33.236 -7.544 -0.014 1.00 0.53 H new ATOM 0 HE1 TYR A 99 36.136 -5.724 3.510 1.00 0.59 H new ATOM 0 HE2 TYR A 99 32.997 -5.200 0.676 1.00 0.62 H new ATOM 0 HH TYR A 99 34.115 -3.466 1.766 1.00 0.75 H new ATOM 1579 N GLY A 100 36.900 -11.726 -0.538 1.00 0.60 N ATOM 1580 CA GLY A 100 37.003 -13.089 -1.003 1.00 0.71 C ATOM 1581 C GLY A 100 38.446 -13.516 -1.136 1.00 0.67 C ATOM 1582 O GLY A 100 39.351 -12.773 -0.760 1.00 0.67 O ATOM 0 H GLY A 100 37.238 -11.025 -1.197 1.00 0.60 H new ATOM 0 HA2 GLY A 100 36.488 -13.752 -0.308 1.00 0.71 H new ATOM 0 HA3 GLY A 100 36.503 -13.186 -1.967 1.00 0.71 H new ATOM 1586 N TYR A 101 38.673 -14.706 -1.662 1.00 0.76 N ATOM 1587 CA TYR A 101 40.027 -15.198 -1.845 1.00 0.86 C ATOM 1588 C TYR A 101 40.636 -14.647 -3.126 1.00 0.93 C ATOM 1589 O TYR A 101 41.013 -15.401 -4.025 1.00 1.52 O ATOM 1590 CB TYR A 101 40.060 -16.727 -1.854 1.00 1.01 C ATOM 1591 CG TYR A 101 40.340 -17.333 -0.500 1.00 0.86 C ATOM 1592 CD1 TYR A 101 41.611 -17.264 0.049 1.00 1.09 C ATOM 1593 CD2 TYR A 101 39.342 -17.967 0.230 1.00 0.75 C ATOM 1594 CE1 TYR A 101 41.883 -17.811 1.285 1.00 1.14 C ATOM 1595 CE2 TYR A 101 39.610 -18.516 1.471 1.00 0.74 C ATOM 1596 CZ TYR A 101 40.883 -18.433 1.993 1.00 0.92 C ATOM 1597 OH TYR A 101 41.161 -18.974 3.228 1.00 1.09 O ATOM 0 H TYR A 101 37.941 -15.347 -1.969 1.00 0.76 H new ATOM 0 HA TYR A 101 40.623 -14.849 -1.002 1.00 0.86 H new ATOM 0 HB2 TYR A 101 39.103 -17.101 -2.219 1.00 1.01 H new ATOM 0 HB3 TYR A 101 40.823 -17.062 -2.557 1.00 1.01 H new ATOM 0 HD1 TYR A 101 42.401 -16.774 -0.500 1.00 1.09 H new ATOM 0 HD2 TYR A 101 38.344 -18.032 -0.177 1.00 0.75 H new ATOM 0 HE1 TYR A 101 42.880 -17.751 1.696 1.00 1.14 H new ATOM 0 HE2 TYR A 101 38.826 -19.007 2.028 1.00 0.74 H new ATOM 0 HH TYR A 101 40.434 -19.576 3.493 1.00 1.09 H new ATOM 1681 N SER A 109 32.697 -19.883 -8.828 1.00 0.97 N ATOM 1682 CA SER A 109 31.760 -19.380 -9.819 1.00 0.88 C ATOM 1683 C SER A 109 32.451 -18.505 -10.868 1.00 0.77 C ATOM 1684 O SER A 109 32.715 -18.958 -11.983 1.00 0.85 O ATOM 1685 CB SER A 109 30.661 -18.593 -9.105 1.00 0.92 C ATOM 1686 OG SER A 109 31.214 -17.771 -8.085 1.00 1.52 O ATOM 0 HA SER A 109 31.328 -20.228 -10.350 1.00 0.88 H new ATOM 0 HB2 SER A 109 30.123 -17.976 -9.824 1.00 0.92 H new ATOM 0 HB3 SER A 109 29.937 -19.282 -8.671 1.00 0.92 H new ATOM 0 HG SER A 109 32.044 -18.173 -7.755 1.00 1.52 H new ATOM 1692 N ILE A 110 32.773 -17.268 -10.487 1.00 0.68 N ATOM 1693 CA ILE A 110 33.466 -16.318 -11.366 1.00 0.65 C ATOM 1694 C ILE A 110 34.125 -15.203 -10.551 1.00 0.63 C ATOM 1695 O ILE A 110 33.518 -14.164 -10.292 1.00 0.75 O ATOM 1696 CB ILE A 110 32.555 -15.655 -12.449 1.00 0.64 C ATOM 1697 CG1 ILE A 110 31.162 -15.293 -11.896 1.00 0.66 C ATOM 1698 CG2 ILE A 110 32.436 -16.533 -13.689 1.00 0.72 C ATOM 1699 CD1 ILE A 110 30.132 -16.406 -11.991 1.00 0.74 C ATOM 0 H ILE A 110 32.562 -16.894 -9.562 1.00 0.68 H new ATOM 0 HA ILE A 110 34.210 -16.920 -11.888 1.00 0.65 H new ATOM 0 HB ILE A 110 33.040 -14.723 -12.739 1.00 0.64 H new ATOM 0 HG12 ILE A 110 31.266 -15.001 -10.851 1.00 0.66 H new ATOM 0 HG13 ILE A 110 30.787 -14.423 -12.435 1.00 0.66 H new ATOM 0 HG21 ILE A 110 31.796 -16.042 -14.422 1.00 0.72 H new ATOM 0 HG22 ILE A 110 33.425 -16.691 -14.119 1.00 0.72 H new ATOM 0 HG23 ILE A 110 32.002 -17.494 -13.414 1.00 0.72 H new ATOM 0 HD11 ILE A 110 29.184 -16.061 -11.578 1.00 0.74 H new ATOM 0 HD12 ILE A 110 29.993 -16.685 -13.035 1.00 0.74 H new ATOM 0 HD13 ILE A 110 30.479 -17.272 -11.427 1.00 0.74 H new ATOM 1711 N PRO A 111 35.362 -15.417 -10.099 1.00 0.70 N ATOM 1712 CA PRO A 111 36.140 -14.378 -9.430 1.00 0.78 C ATOM 1713 C PRO A 111 36.868 -13.488 -10.433 1.00 0.79 C ATOM 1714 O PRO A 111 36.908 -13.792 -11.625 1.00 1.58 O ATOM 1715 CB PRO A 111 37.144 -15.189 -8.620 1.00 1.10 C ATOM 1716 CG PRO A 111 37.397 -16.395 -9.461 1.00 1.22 C ATOM 1717 CD PRO A 111 36.104 -16.690 -10.181 1.00 0.89 C ATOM 0 HA PRO A 111 35.524 -13.704 -8.834 1.00 0.78 H new ATOM 0 HB2 PRO A 111 38.061 -14.627 -8.443 1.00 1.10 H new ATOM 0 HB3 PRO A 111 36.743 -15.460 -7.644 1.00 1.10 H new ATOM 0 HG2 PRO A 111 38.204 -16.212 -10.171 1.00 1.22 H new ATOM 0 HG3 PRO A 111 37.701 -17.241 -8.845 1.00 1.22 H new ATOM 0 HD2 PRO A 111 36.280 -16.986 -11.215 1.00 0.89 H new ATOM 0 HD3 PRO A 111 35.557 -17.504 -9.705 1.00 0.89 H new ATOM 1725 N GLY A 112 37.443 -12.398 -9.956 1.00 0.95 N ATOM 1726 CA GLY A 112 38.213 -11.530 -10.831 1.00 1.02 C ATOM 1727 C GLY A 112 38.339 -10.127 -10.287 1.00 1.09 C ATOM 1728 O GLY A 112 38.338 -9.158 -11.048 1.00 2.05 O ATOM 0 H GLY A 112 37.394 -12.095 -8.983 1.00 0.95 H new ATOM 0 HA2 GLY A 112 39.208 -11.952 -10.973 1.00 1.02 H new ATOM 0 HA3 GLY A 112 37.739 -11.495 -11.812 1.00 1.02 H new ATOM 1732 N ASN A 113 38.467 -10.027 -8.961 1.00 0.74 N ATOM 1733 CA ASN A 113 38.524 -8.738 -8.264 1.00 0.84 C ATOM 1734 C ASN A 113 37.207 -7.989 -8.424 1.00 0.75 C ATOM 1735 O ASN A 113 37.133 -6.779 -8.224 1.00 1.00 O ATOM 1736 CB ASN A 113 39.687 -7.874 -8.771 1.00 1.00 C ATOM 1737 CG ASN A 113 41.039 -8.535 -8.583 1.00 1.49 C ATOM 1738 OD1 ASN A 113 41.519 -9.257 -9.457 1.00 2.03 O ATOM 1739 ND2 ASN A 113 41.667 -8.282 -7.447 1.00 1.79 N ATOM 0 H ASN A 113 38.534 -10.835 -8.341 1.00 0.74 H new ATOM 0 HA ASN A 113 38.693 -8.942 -7.207 1.00 0.84 H new ATOM 0 HB2 ASN A 113 39.538 -7.658 -9.829 1.00 1.00 H new ATOM 0 HB3 ASN A 113 39.679 -6.919 -8.246 1.00 1.00 H new ATOM 0 HD21 ASN A 113 42.584 -8.691 -7.269 1.00 1.79 H new ATOM 0 HD22 ASN A 113 41.234 -7.678 -6.748 1.00 1.79 H new ATOM 1746 N SER A 114 36.170 -8.730 -8.777 1.00 0.57 N ATOM 1747 CA SER A 114 34.859 -8.157 -9.005 1.00 0.58 C ATOM 1748 C SER A 114 34.002 -8.277 -7.748 1.00 0.50 C ATOM 1749 O SER A 114 34.298 -9.079 -6.864 1.00 0.59 O ATOM 1750 CB SER A 114 34.188 -8.887 -10.169 1.00 0.65 C ATOM 1751 OG SER A 114 35.120 -9.163 -11.203 1.00 1.14 O ATOM 0 H SER A 114 36.215 -9.740 -8.912 1.00 0.57 H new ATOM 0 HA SER A 114 34.965 -7.100 -9.249 1.00 0.58 H new ATOM 0 HB2 SER A 114 33.748 -9.819 -9.813 1.00 0.65 H new ATOM 0 HB3 SER A 114 33.373 -8.279 -10.562 1.00 0.65 H new ATOM 0 HG SER A 114 34.667 -9.632 -11.935 1.00 1.14 H new ATOM 1757 N VAL A 115 32.948 -7.475 -7.664 1.00 0.44 N ATOM 1758 CA VAL A 115 32.030 -7.550 -6.539 1.00 0.38 C ATOM 1759 C VAL A 115 30.847 -8.461 -6.874 1.00 0.31 C ATOM 1760 O VAL A 115 30.141 -8.260 -7.870 1.00 0.31 O ATOM 1761 CB VAL A 115 31.531 -6.148 -6.107 1.00 0.44 C ATOM 1762 CG1 VAL A 115 30.883 -5.405 -7.269 1.00 0.48 C ATOM 1763 CG2 VAL A 115 30.565 -6.260 -4.937 1.00 0.42 C ATOM 0 H VAL A 115 32.710 -6.768 -8.360 1.00 0.44 H new ATOM 0 HA VAL A 115 32.577 -7.976 -5.697 1.00 0.38 H new ATOM 0 HB VAL A 115 32.399 -5.571 -5.787 1.00 0.44 H new ATOM 0 HG11 VAL A 115 30.544 -4.426 -6.931 1.00 0.48 H new ATOM 0 HG12 VAL A 115 31.610 -5.281 -8.072 1.00 0.48 H new ATOM 0 HG13 VAL A 115 30.031 -5.977 -7.636 1.00 0.48 H new ATOM 0 HG21 VAL A 115 30.226 -5.265 -4.649 1.00 0.42 H new ATOM 0 HG22 VAL A 115 29.707 -6.865 -5.230 1.00 0.42 H new ATOM 0 HG23 VAL A 115 31.069 -6.730 -4.093 1.00 0.42 H new ATOM 1773 N LEU A 116 30.664 -9.490 -6.063 1.00 0.28 N ATOM 1774 CA LEU A 116 29.560 -10.421 -6.247 1.00 0.25 C ATOM 1775 C LEU A 116 28.623 -10.349 -5.044 1.00 0.28 C ATOM 1776 O LEU A 116 29.083 -10.196 -3.912 1.00 0.37 O ATOM 1777 CB LEU A 116 30.073 -11.869 -6.398 1.00 0.30 C ATOM 1778 CG LEU A 116 30.909 -12.186 -7.646 1.00 0.33 C ATOM 1779 CD1 LEU A 116 32.322 -11.638 -7.518 1.00 0.51 C ATOM 1780 CD2 LEU A 116 30.947 -13.686 -7.887 1.00 0.50 C ATOM 0 H LEU A 116 31.267 -9.703 -5.268 1.00 0.28 H new ATOM 0 HA LEU A 116 29.029 -10.141 -7.157 1.00 0.25 H new ATOM 0 HB2 LEU A 116 30.671 -12.110 -5.519 1.00 0.30 H new ATOM 0 HB3 LEU A 116 29.211 -12.536 -6.389 1.00 0.30 H new ATOM 0 HG LEU A 116 30.436 -11.700 -8.499 1.00 0.33 H new ATOM 0 HD11 LEU A 116 32.889 -11.879 -8.417 1.00 0.51 H new ATOM 0 HD12 LEU A 116 32.283 -10.556 -7.393 1.00 0.51 H new ATOM 0 HD13 LEU A 116 32.809 -12.086 -6.652 1.00 0.51 H new ATOM 0 HD21 LEU A 116 31.543 -13.897 -8.775 1.00 0.50 H new ATOM 0 HD22 LEU A 116 31.393 -14.182 -7.025 1.00 0.50 H new ATOM 0 HD23 LEU A 116 29.933 -14.057 -8.035 1.00 0.50 H new ATOM 1792 N LEU A 117 27.320 -10.460 -5.271 1.00 0.31 N ATOM 1793 CA LEU A 117 26.372 -10.490 -4.162 1.00 0.38 C ATOM 1794 C LEU A 117 25.773 -11.876 -4.011 1.00 0.31 C ATOM 1795 O LEU A 117 25.168 -12.414 -4.941 1.00 0.38 O ATOM 1796 CB LEU A 117 25.249 -9.445 -4.298 1.00 0.61 C ATOM 1797 CG LEU A 117 25.174 -8.663 -5.613 1.00 0.38 C ATOM 1798 CD1 LEU A 117 24.651 -9.535 -6.738 1.00 0.70 C ATOM 1799 CD2 LEU A 117 24.286 -7.441 -5.442 1.00 0.59 C ATOM 0 H LEU A 117 26.899 -10.530 -6.198 1.00 0.31 H new ATOM 0 HA LEU A 117 26.939 -10.234 -3.267 1.00 0.38 H new ATOM 0 HB2 LEU A 117 24.296 -9.953 -4.153 1.00 0.61 H new ATOM 0 HB3 LEU A 117 25.355 -8.728 -3.484 1.00 0.61 H new ATOM 0 HG LEU A 117 26.182 -8.340 -5.875 1.00 0.38 H new ATOM 0 HD11 LEU A 117 24.608 -8.954 -7.659 1.00 0.70 H new ATOM 0 HD12 LEU A 117 25.316 -10.387 -6.877 1.00 0.70 H new ATOM 0 HD13 LEU A 117 23.652 -9.892 -6.488 1.00 0.70 H new ATOM 0 HD21 LEU A 117 24.239 -6.891 -6.382 1.00 0.59 H new ATOM 0 HD22 LEU A 117 23.283 -7.757 -5.156 1.00 0.59 H new ATOM 0 HD23 LEU A 117 24.699 -6.797 -4.665 1.00 0.59 H new ATOM 1811 N PHE A 118 25.958 -12.453 -2.834 1.00 0.30 N ATOM 1812 CA PHE A 118 25.436 -13.775 -2.543 1.00 0.34 C ATOM 1813 C PHE A 118 24.344 -13.715 -1.491 1.00 0.34 C ATOM 1814 O PHE A 118 24.449 -12.976 -0.509 1.00 0.37 O ATOM 1815 CB PHE A 118 26.546 -14.706 -2.053 1.00 0.43 C ATOM 1816 CG PHE A 118 27.615 -14.965 -3.071 1.00 0.37 C ATOM 1817 CD1 PHE A 118 27.293 -15.505 -4.303 1.00 0.39 C ATOM 1818 CD2 PHE A 118 28.942 -14.682 -2.793 1.00 0.38 C ATOM 1819 CE1 PHE A 118 28.274 -15.752 -5.242 1.00 0.38 C ATOM 1820 CE2 PHE A 118 29.929 -14.925 -3.729 1.00 0.40 C ATOM 1821 CZ PHE A 118 29.594 -15.464 -4.955 1.00 0.38 C ATOM 0 H PHE A 118 26.468 -12.023 -2.063 1.00 0.30 H new ATOM 0 HA PHE A 118 25.018 -14.165 -3.471 1.00 0.34 H new ATOM 0 HB2 PHE A 118 27.003 -14.274 -1.163 1.00 0.43 H new ATOM 0 HB3 PHE A 118 26.104 -15.657 -1.755 1.00 0.43 H new ATOM 0 HD1 PHE A 118 26.263 -15.736 -4.533 1.00 0.39 H new ATOM 0 HD2 PHE A 118 29.209 -14.266 -1.833 1.00 0.38 H new ATOM 0 HE1 PHE A 118 28.009 -16.171 -6.202 1.00 0.38 H new ATOM 0 HE2 PHE A 118 30.959 -14.694 -3.502 1.00 0.40 H new ATOM 0 HZ PHE A 118 30.362 -15.660 -5.688 1.00 0.38 H new ATOM 1831 N GLU A 119 23.293 -14.481 -1.718 1.00 0.33 N ATOM 1832 CA GLU A 119 22.267 -14.689 -0.721 1.00 0.37 C ATOM 1833 C GLU A 119 22.770 -15.698 0.296 1.00 0.34 C ATOM 1834 O GLU A 119 23.133 -16.814 -0.068 1.00 0.47 O ATOM 1835 CB GLU A 119 20.982 -15.229 -1.358 1.00 0.56 C ATOM 1836 CG GLU A 119 20.403 -14.352 -2.458 1.00 0.82 C ATOM 1837 CD GLU A 119 19.089 -14.889 -2.991 1.00 1.18 C ATOM 1838 OE1 GLU A 119 18.026 -14.526 -2.451 1.00 1.46 O ATOM 1839 OE2 GLU A 119 19.117 -15.670 -3.965 1.00 1.43 O ATOM 0 H GLU A 119 23.130 -14.973 -2.596 1.00 0.33 H new ATOM 0 HA GLU A 119 22.045 -13.734 -0.245 1.00 0.37 H new ATOM 0 HB2 GLU A 119 21.184 -16.218 -1.769 1.00 0.56 H new ATOM 0 HB3 GLU A 119 20.231 -15.355 -0.578 1.00 0.56 H new ATOM 0 HG2 GLU A 119 20.251 -13.343 -2.073 1.00 0.82 H new ATOM 0 HG3 GLU A 119 21.120 -14.277 -3.275 1.00 0.82 H new ATOM 1846 N ILE A 120 22.807 -15.315 1.559 1.00 0.29 N ATOM 1847 CA ILE A 120 23.196 -16.242 2.605 1.00 0.31 C ATOM 1848 C ILE A 120 21.972 -16.639 3.412 1.00 0.31 C ATOM 1849 O ILE A 120 21.275 -15.788 3.973 1.00 0.33 O ATOM 1850 CB ILE A 120 24.294 -15.663 3.528 1.00 0.34 C ATOM 1851 CG1 ILE A 120 25.602 -15.485 2.744 1.00 0.33 C ATOM 1852 CG2 ILE A 120 24.512 -16.567 4.733 1.00 0.48 C ATOM 1853 CD1 ILE A 120 26.762 -14.980 3.583 1.00 0.39 C ATOM 0 H ILE A 120 22.574 -14.376 1.883 1.00 0.29 H new ATOM 0 HA ILE A 120 23.623 -17.124 2.128 1.00 0.31 H new ATOM 0 HB ILE A 120 23.968 -14.688 3.889 1.00 0.34 H new ATOM 0 HG12 ILE A 120 25.879 -16.440 2.298 1.00 0.33 H new ATOM 0 HG13 ILE A 120 25.430 -14.788 1.924 1.00 0.33 H new ATOM 0 HG21 ILE A 120 25.288 -16.143 5.370 1.00 0.48 H new ATOM 0 HG22 ILE A 120 23.584 -16.650 5.298 1.00 0.48 H new ATOM 0 HG23 ILE A 120 24.821 -17.556 4.395 1.00 0.48 H new ATOM 0 HD11 ILE A 120 27.648 -14.881 2.956 1.00 0.39 H new ATOM 0 HD12 ILE A 120 26.508 -14.009 4.008 1.00 0.39 H new ATOM 0 HD13 ILE A 120 26.964 -15.687 4.388 1.00 0.39 H new ATOM 1865 N GLU A 121 21.701 -17.935 3.437 1.00 0.36 N ATOM 1866 CA GLU A 121 20.497 -18.457 4.054 1.00 0.40 C ATOM 1867 C GLU A 121 20.839 -19.557 5.055 1.00 0.35 C ATOM 1868 O GLU A 121 21.314 -20.630 4.673 1.00 0.40 O ATOM 1869 CB GLU A 121 19.577 -18.994 2.962 1.00 0.60 C ATOM 1870 CG GLU A 121 18.158 -18.461 3.035 1.00 1.06 C ATOM 1871 CD GLU A 121 17.423 -18.601 1.720 1.00 1.43 C ATOM 1872 OE1 GLU A 121 17.315 -19.738 1.212 1.00 1.67 O ATOM 1873 OE2 GLU A 121 16.944 -17.572 1.189 1.00 1.88 O ATOM 0 H GLU A 121 22.307 -18.649 3.032 1.00 0.36 H new ATOM 0 HA GLU A 121 19.992 -17.659 4.598 1.00 0.40 H new ATOM 0 HB2 GLU A 121 19.999 -18.743 1.989 1.00 0.60 H new ATOM 0 HB3 GLU A 121 19.550 -20.082 3.026 1.00 0.60 H new ATOM 0 HG2 GLU A 121 17.612 -18.995 3.813 1.00 1.06 H new ATOM 0 HG3 GLU A 121 18.181 -17.411 3.325 1.00 1.06 H new ATOM 1880 N LEU A 122 20.602 -19.279 6.334 1.00 0.33 N ATOM 1881 CA LEU A 122 20.901 -20.227 7.406 1.00 0.33 C ATOM 1882 C LEU A 122 19.701 -21.135 7.645 1.00 0.38 C ATOM 1883 O LEU A 122 18.736 -20.740 8.298 1.00 0.54 O ATOM 1884 CB LEU A 122 21.258 -19.477 8.702 1.00 0.38 C ATOM 1885 CG LEU A 122 21.765 -20.341 9.869 1.00 0.43 C ATOM 1886 CD1 LEU A 122 23.168 -20.853 9.594 1.00 0.80 C ATOM 1887 CD2 LEU A 122 21.726 -19.547 11.162 1.00 1.12 C ATOM 0 H LEU A 122 20.201 -18.398 6.656 1.00 0.33 H new ATOM 0 HA LEU A 122 21.756 -20.834 7.107 1.00 0.33 H new ATOM 0 HB2 LEU A 122 22.021 -18.734 8.469 1.00 0.38 H new ATOM 0 HB3 LEU A 122 20.375 -18.933 9.037 1.00 0.38 H new ATOM 0 HG LEU A 122 21.108 -21.205 9.971 1.00 0.43 H new ATOM 0 HD11 LEU A 122 23.504 -21.461 10.434 1.00 0.80 H new ATOM 0 HD12 LEU A 122 23.163 -21.457 8.687 1.00 0.80 H new ATOM 0 HD13 LEU A 122 23.845 -20.008 9.464 1.00 0.80 H new ATOM 0 HD21 LEU A 122 22.087 -20.168 11.982 1.00 1.12 H new ATOM 0 HD22 LEU A 122 22.361 -18.666 11.067 1.00 1.12 H new ATOM 0 HD23 LEU A 122 20.702 -19.235 11.367 1.00 1.12 H new ATOM 1899 N LEU A 123 19.745 -22.340 7.097 1.00 0.39 N ATOM 1900 CA LEU A 123 18.640 -23.275 7.258 1.00 0.47 C ATOM 1901 C LEU A 123 18.835 -24.156 8.484 1.00 0.47 C ATOM 1902 O LEU A 123 17.867 -24.568 9.122 1.00 0.59 O ATOM 1903 CB LEU A 123 18.446 -24.147 6.008 1.00 0.55 C ATOM 1904 CG LEU A 123 19.698 -24.856 5.483 1.00 0.58 C ATOM 1905 CD1 LEU A 123 19.334 -26.215 4.903 1.00 1.00 C ATOM 1906 CD2 LEU A 123 20.385 -24.006 4.424 1.00 0.77 C ATOM 0 H LEU A 123 20.525 -22.692 6.542 1.00 0.39 H new ATOM 0 HA LEU A 123 17.739 -22.678 7.399 1.00 0.47 H new ATOM 0 HB2 LEU A 123 17.691 -24.902 6.229 1.00 0.55 H new ATOM 0 HB3 LEU A 123 18.046 -23.520 5.211 1.00 0.55 H new ATOM 0 HG LEU A 123 20.385 -25.002 6.317 1.00 0.58 H new ATOM 0 HD11 LEU A 123 20.234 -26.706 4.534 1.00 1.00 H new ATOM 0 HD12 LEU A 123 18.876 -26.830 5.678 1.00 1.00 H new ATOM 0 HD13 LEU A 123 18.630 -26.083 4.081 1.00 1.00 H new ATOM 0 HD21 LEU A 123 21.273 -24.524 4.061 1.00 0.77 H new ATOM 0 HD22 LEU A 123 19.700 -23.835 3.594 1.00 0.77 H new ATOM 0 HD23 LEU A 123 20.675 -23.049 4.858 1.00 0.77 H new ATOM 1918 N SER A 124 20.085 -24.447 8.816 1.00 0.44 N ATOM 1919 CA SER A 124 20.387 -25.310 9.949 1.00 0.47 C ATOM 1920 C SER A 124 21.736 -24.949 10.551 1.00 0.43 C ATOM 1921 O SER A 124 22.639 -24.521 9.836 1.00 0.48 O ATOM 1922 CB SER A 124 20.381 -26.774 9.506 1.00 0.63 C ATOM 1923 OG SER A 124 19.132 -27.118 8.932 1.00 1.19 O ATOM 0 H SER A 124 20.904 -24.099 8.318 1.00 0.44 H new ATOM 0 HA SER A 124 19.621 -25.166 10.711 1.00 0.47 H new ATOM 0 HB2 SER A 124 21.178 -26.944 8.783 1.00 0.63 H new ATOM 0 HB3 SER A 124 20.584 -27.419 10.361 1.00 0.63 H new ATOM 0 HG SER A 124 19.148 -28.057 8.653 1.00 1.19 H new ATOM 1929 N PHE A 125 21.856 -25.092 11.865 1.00 0.39 N ATOM 1930 CA PHE A 125 23.108 -24.834 12.564 1.00 0.43 C ATOM 1931 C PHE A 125 23.030 -25.350 13.996 1.00 0.46 C ATOM 1932 O PHE A 125 22.007 -25.899 14.411 1.00 0.46 O ATOM 1933 CB PHE A 125 23.446 -23.338 12.563 1.00 0.46 C ATOM 1934 CG PHE A 125 22.560 -22.498 13.438 1.00 0.46 C ATOM 1935 CD1 PHE A 125 21.192 -22.695 13.458 1.00 0.44 C ATOM 1936 CD2 PHE A 125 23.102 -21.501 14.224 1.00 0.62 C ATOM 1937 CE1 PHE A 125 20.380 -21.916 14.251 1.00 0.54 C ATOM 1938 CE2 PHE A 125 22.297 -20.719 15.021 1.00 0.72 C ATOM 1939 CZ PHE A 125 20.934 -20.924 15.032 1.00 0.67 C ATOM 0 H PHE A 125 21.093 -25.388 12.473 1.00 0.39 H new ATOM 0 HA PHE A 125 23.902 -25.363 12.036 1.00 0.43 H new ATOM 0 HB2 PHE A 125 24.479 -23.212 12.886 1.00 0.46 H new ATOM 0 HB3 PHE A 125 23.384 -22.965 11.541 1.00 0.46 H new ATOM 0 HD1 PHE A 125 20.755 -23.469 12.844 1.00 0.44 H new ATOM 0 HD2 PHE A 125 24.169 -21.333 14.214 1.00 0.62 H new ATOM 0 HE1 PHE A 125 19.313 -22.081 14.261 1.00 0.54 H new ATOM 0 HE2 PHE A 125 22.733 -19.946 15.637 1.00 0.72 H new ATOM 0 HZ PHE A 125 20.300 -20.308 15.652 1.00 0.67 H new ATOM 1949 N ARG A 126 24.106 -25.159 14.742 1.00 0.60 N ATOM 1950 CA ARG A 126 24.165 -25.568 16.135 1.00 0.71 C ATOM 1951 C ARG A 126 25.202 -24.733 16.879 1.00 0.76 C ATOM 1952 O ARG A 126 26.243 -24.400 16.316 1.00 0.90 O ATOM 1953 CB ARG A 126 24.533 -27.051 16.219 1.00 0.83 C ATOM 1954 CG ARG A 126 25.899 -27.367 15.623 1.00 0.85 C ATOM 1955 CD ARG A 126 26.263 -28.838 15.775 1.00 1.12 C ATOM 1956 NE ARG A 126 25.727 -29.658 14.692 1.00 1.57 N ATOM 1957 CZ ARG A 126 24.657 -30.436 14.793 1.00 2.14 C ATOM 1958 NH1 ARG A 126 23.938 -30.457 15.912 1.00 2.47 N ATOM 1959 NH2 ARG A 126 24.301 -31.179 13.759 1.00 2.98 N ATOM 0 H ARG A 126 24.960 -24.718 14.400 1.00 0.60 H new ATOM 0 HA ARG A 126 23.190 -25.413 16.596 1.00 0.71 H new ATOM 0 HB2 ARG A 126 24.519 -27.363 17.263 1.00 0.83 H new ATOM 0 HB3 ARG A 126 23.774 -27.637 15.701 1.00 0.83 H new ATOM 0 HG2 ARG A 126 25.904 -27.100 14.566 1.00 0.85 H new ATOM 0 HG3 ARG A 126 26.657 -26.754 16.110 1.00 0.85 H new ATOM 0 HD2 ARG A 126 27.348 -28.940 15.802 1.00 1.12 H new ATOM 0 HD3 ARG A 126 25.884 -29.207 16.728 1.00 1.12 H new ATOM 0 HE ARG A 126 26.210 -29.631 13.794 1.00 1.57 H new ATOM 0 HH11 ARG A 126 24.208 -29.871 16.702 1.00 2.47 H new ATOM 0 HH12 ARG A 126 23.117 -31.059 15.980 1.00 2.47 H new ATOM 0 HH21 ARG A 126 24.847 -31.149 12.898 1.00 2.98 H new ATOM 0 HH22 ARG A 126 23.481 -31.782 13.823 1.00 2.98 H new ATOM 1973 N GLU A 127 24.918 -24.379 18.123 1.00 0.82 N ATOM 1974 CA GLU A 127 25.893 -23.682 18.946 1.00 0.88 C ATOM 1975 C GLU A 127 26.472 -24.619 19.993 1.00 1.01 C ATOM 1976 O GLU A 127 25.811 -25.563 20.428 1.00 1.11 O ATOM 1977 CB GLU A 127 25.281 -22.460 19.635 1.00 1.10 C ATOM 1978 CG GLU A 127 25.166 -21.237 18.737 1.00 1.68 C ATOM 1979 CD GLU A 127 24.922 -19.969 19.527 1.00 2.69 C ATOM 1980 OE1 GLU A 127 25.753 -19.644 20.406 1.00 3.18 O ATOM 1981 OE2 GLU A 127 23.903 -19.296 19.285 1.00 3.38 O ATOM 0 H GLU A 127 24.026 -24.562 18.582 1.00 0.82 H new ATOM 0 HA GLU A 127 26.689 -23.339 18.285 1.00 0.88 H new ATOM 0 HB2 GLU A 127 24.289 -22.722 20.004 1.00 1.10 H new ATOM 0 HB3 GLU A 127 25.887 -22.204 20.504 1.00 1.10 H new ATOM 0 HG2 GLU A 127 26.080 -21.129 18.154 1.00 1.68 H new ATOM 0 HG3 GLU A 127 24.351 -21.384 18.028 1.00 1.68 H new