USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 903 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 79 GLN :FLIP amide:sc= -30.4! C(o=-34!,f=-30!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 164:sc= 0.599 (180deg=-0.688) USER MOD Set 2.1: A 30 ASN :FLIP amide:sc= -2.06! C(o=-13!,f=-6.9!) USER MOD Set 2.2: A 34 ASN :FLIP amide:sc= -4.8! C(o=-14!,f=-6.9!) USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= -0.359 F(o=-1.4,f=-0.37) USER MOD Set 3.2: A 22 LYS NZ :NH3+ 180:sc= -0.0134 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS :FLIP no HD1:sc= -0.564 F(o=-1.2,f=-0.56) USER MOD Single : A 17 LYS NZ :NH3+ -163:sc=-0.00315 (180deg=-0.142) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.208) USER MOD Single : A 32 HIS : no HD1:sc= -9.83! C(o=-9.8!,f=-15!) USER MOD Single : A 35 LYS NZ :NH3+ 138:sc= 0.704 (180deg=-0.115) USER MOD Single : A 37 ASN : amide:sc= -6.62! C(o=-6.6!,f=-6.9!) USER MOD Single : A 41 THR OG1 : rot -61:sc= 1.16 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 46 GLN : amide:sc= -0.994 X(o=-0.99,f=-1.1) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0914 K(o=-0.091,f=-1.4!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 180:sc= -0.0016 (180deg=-0.0016) USER MOD Single : A 92 GLN : amide:sc= -0.943 K(o=-0.94,f=-4.1!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 148:sc= -3.68! (180deg=-5.38!) USER MOD Single : A 108 ASN : amide:sc= -4.77! C(o=-4.8!,f=-8.2!) USER MOD Single : A 109 CYS SG : rot -33:sc= -0.366 USER MOD Single : A 112 LYS NZ :NH3+ -151:sc= -0.147 (180deg=-0.883) USER MOD Single : A 113 SER OG : rot -116:sc= -0.357 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.86 X(o=-0.86,f=-0.98) USER MOD Single : A 123 THR OG1 : rot 73:sc= 1.06 USER MOD Single : A 124 LYS NZ :NH3+ 171:sc= -7.01! (180deg=-7.25!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN :FLIP amide:sc= -0.0509 F(o=-3.4,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 9 19.036 -5.847 0.294 1.00 1.61 N ATOM 138 CA THR A 9 19.753 -4.680 0.896 1.00 1.66 C ATOM 139 C THR A 9 18.971 -4.111 2.065 1.00 1.62 C ATOM 140 O THR A 9 19.517 -3.751 3.089 1.00 1.65 O ATOM 141 CB THR A 9 19.955 -3.610 -0.190 1.00 1.71 C ATOM 142 OG1 THR A 9 21.061 -2.789 0.154 1.00 1.71 O ATOM 143 CG2 THR A 9 18.702 -2.737 -0.353 1.00 1.78 C ATOM 0 HA THR A 9 20.721 -5.006 1.275 1.00 1.66 H new ATOM 0 HB THR A 9 20.144 -4.117 -1.136 1.00 1.71 H new ATOM 0 HG1 THR A 9 21.191 -2.108 -0.539 1.00 1.71 H new ATOM 0 HG21 THR A 9 18.877 -1.991 -1.128 1.00 1.78 H new ATOM 0 HG22 THR A 9 17.856 -3.364 -0.637 1.00 1.78 H new ATOM 0 HG23 THR A 9 18.482 -2.236 0.590 1.00 1.78 H new ATOM 151 N LEU A 10 17.704 -4.019 1.905 1.00 1.55 N ATOM 152 CA LEU A 10 16.854 -3.458 2.983 1.00 1.52 C ATOM 153 C LEU A 10 17.058 -4.257 4.279 1.00 1.51 C ATOM 154 O LEU A 10 17.342 -3.704 5.322 1.00 1.54 O ATOM 155 CB LEU A 10 15.390 -3.536 2.533 1.00 1.44 C ATOM 156 CG LEU A 10 15.056 -2.358 1.592 1.00 1.43 C ATOM 157 CD1 LEU A 10 13.841 -2.714 0.732 1.00 1.48 C ATOM 158 CD2 LEU A 10 14.735 -1.094 2.404 1.00 1.36 C ATOM 0 H LEU A 10 17.202 -4.309 1.066 1.00 1.55 H new ATOM 0 HA LEU A 10 17.126 -2.420 3.176 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.209 -4.482 2.022 1.00 1.44 H new ATOM 0 HB3 LEU A 10 14.733 -3.513 3.403 1.00 1.44 H new ATOM 0 HG LEU A 10 15.922 -2.168 0.958 1.00 1.43 H new ATOM 0 HD11 LEU A 10 13.608 -1.881 0.069 1.00 1.48 H new ATOM 0 HD12 LEU A 10 14.063 -3.600 0.137 1.00 1.48 H new ATOM 0 HD13 LEU A 10 12.985 -2.915 1.377 1.00 1.48 H new ATOM 0 HD21 LEU A 10 14.502 -0.274 1.724 1.00 1.36 H new ATOM 0 HD22 LEU A 10 13.878 -1.284 3.050 1.00 1.36 H new ATOM 0 HD23 LEU A 10 15.597 -0.825 3.015 1.00 1.36 H new ATOM 170 N PHE A 11 16.900 -5.548 4.222 1.00 1.48 N ATOM 171 CA PHE A 11 17.057 -6.387 5.446 1.00 1.48 C ATOM 172 C PHE A 11 18.526 -6.731 5.695 1.00 1.55 C ATOM 173 O PHE A 11 18.935 -6.957 6.816 1.00 1.57 O ATOM 174 CB PHE A 11 16.275 -7.680 5.231 1.00 1.42 C ATOM 175 CG PHE A 11 14.808 -7.418 5.417 1.00 1.36 C ATOM 176 CD1 PHE A 11 14.260 -7.256 6.695 1.00 1.34 C ATOM 177 CD2 PHE A 11 14.010 -7.329 4.301 1.00 1.31 C ATOM 178 CE1 PHE A 11 12.889 -7.006 6.834 1.00 1.27 C ATOM 179 CE2 PHE A 11 12.649 -7.079 4.424 1.00 1.25 C ATOM 180 CZ PHE A 11 12.080 -6.916 5.694 1.00 1.23 C ATOM 0 H PHE A 11 16.667 -6.065 3.374 1.00 1.48 H new ATOM 0 HA PHE A 11 16.686 -5.835 6.310 1.00 1.48 H new ATOM 0 HB2 PHE A 11 16.461 -8.067 4.229 1.00 1.42 H new ATOM 0 HB3 PHE A 11 16.611 -8.441 5.935 1.00 1.42 H new ATOM 0 HD1 PHE A 11 14.891 -7.323 7.569 1.00 1.34 H new ATOM 0 HD2 PHE A 11 14.445 -7.455 3.320 1.00 1.31 H new ATOM 0 HE1 PHE A 11 12.457 -6.883 7.816 1.00 1.27 H new ATOM 0 HE2 PHE A 11 12.030 -7.010 3.542 1.00 1.25 H new ATOM 0 HZ PHE A 11 11.022 -6.722 5.794 1.00 1.23 H new ATOM 190 N ASP A 12 19.317 -6.800 4.667 1.00 1.58 N ATOM 191 CA ASP A 12 20.755 -7.164 4.874 1.00 1.65 C ATOM 192 C ASP A 12 21.543 -5.960 5.373 1.00 1.70 C ATOM 193 O ASP A 12 22.622 -6.102 5.914 1.00 1.75 O ATOM 194 CB ASP A 12 21.383 -7.673 3.572 1.00 1.68 C ATOM 195 CG ASP A 12 20.613 -8.900 3.077 1.00 1.63 C ATOM 196 OD1 ASP A 12 19.636 -9.259 3.714 1.00 1.58 O ATOM 197 OD2 ASP A 12 21.012 -9.459 2.068 1.00 1.65 O ATOM 0 H ASP A 12 19.042 -6.624 3.701 1.00 1.58 H new ATOM 0 HA ASP A 12 20.792 -7.957 5.621 1.00 1.65 H new ATOM 0 HB2 ASP A 12 21.363 -6.889 2.815 1.00 1.68 H new ATOM 0 HB3 ASP A 12 22.429 -7.930 3.737 1.00 1.68 H new ATOM 202 N HIS A 13 21.033 -4.773 5.202 1.00 1.70 N ATOM 203 CA HIS A 13 21.796 -3.582 5.682 1.00 1.76 C ATOM 204 C HIS A 13 20.857 -2.412 5.989 1.00 1.73 C ATOM 205 O HIS A 13 21.269 -1.269 5.965 1.00 1.77 O ATOM 206 CB HIS A 13 22.800 -3.159 4.603 1.00 1.80 C ATOM 207 CG HIS A 13 23.856 -2.270 5.206 1.00 1.86 C ATOM 208 ND1 HIS A 13 23.948 -0.906 5.328 1.00 1.87 N flip ATOM 209 CD2 HIS A 13 25.009 -2.781 5.783 1.00 1.91 C flip ATOM 210 CE1 HIS A 13 25.138 -0.572 5.969 1.00 1.93 C flip ATOM 211 NE2 HIS A 13 25.738 -1.739 6.221 1.00 1.95 N flip ATOM 0 H HIS A 13 20.136 -4.574 4.759 1.00 1.70 H new ATOM 0 HA HIS A 13 22.318 -3.852 6.600 1.00 1.76 H new ATOM 0 HB2 HIS A 13 23.264 -4.040 4.160 1.00 1.80 H new ATOM 0 HB3 HIS A 13 22.284 -2.633 3.800 1.00 1.80 H new ATOM 0 HD2 HIS A 13 25.273 -3.825 5.866 1.00 1.91 H new ATOM 0 HE1 HIS A 13 25.498 0.417 6.210 1.00 1.93 H new ATOM 0 HE2 HIS A 13 26.640 -1.829 6.689 1.00 1.95 H new ATOM 219 N ALA A 14 19.607 -2.660 6.288 1.00 1.66 N ATOM 220 CA ALA A 14 18.705 -1.505 6.597 1.00 1.63 C ATOM 221 C ALA A 14 17.481 -1.939 7.434 1.00 1.56 C ATOM 222 O ALA A 14 16.353 -1.775 7.012 1.00 1.51 O ATOM 223 CB ALA A 14 18.275 -0.855 5.259 1.00 1.62 C ATOM 0 H ALA A 14 19.179 -3.585 6.332 1.00 1.66 H new ATOM 0 HA ALA A 14 19.243 -0.778 7.205 1.00 1.63 H new ATOM 0 HB1 ALA A 14 17.616 -0.010 5.460 1.00 1.62 H new ATOM 0 HB2 ALA A 14 19.158 -0.507 4.723 1.00 1.62 H new ATOM 0 HB3 ALA A 14 17.747 -1.590 4.651 1.00 1.62 H new ATOM 229 N PRO A 15 17.724 -2.431 8.629 1.00 1.57 N ATOM 230 CA PRO A 15 16.627 -2.812 9.524 1.00 1.51 C ATOM 231 C PRO A 15 15.930 -1.525 9.995 1.00 1.50 C ATOM 232 O PRO A 15 14.784 -1.532 10.399 1.00 1.44 O ATOM 233 CB PRO A 15 17.316 -3.533 10.710 1.00 1.54 C ATOM 234 CG PRO A 15 18.850 -3.472 10.468 1.00 1.62 C ATOM 235 CD PRO A 15 19.078 -2.659 9.177 1.00 1.64 C ATOM 0 HA PRO A 15 15.878 -3.452 9.057 1.00 1.51 H new ATOM 0 HB2 PRO A 15 17.057 -3.052 11.653 1.00 1.54 H new ATOM 0 HB3 PRO A 15 16.980 -4.568 10.777 1.00 1.54 H new ATOM 0 HG2 PRO A 15 19.354 -3.002 11.312 1.00 1.62 H new ATOM 0 HG3 PRO A 15 19.264 -4.476 10.368 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.583 -1.716 9.387 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.703 -3.205 8.471 1.00 1.64 H new ATOM 243 N ASP A 16 16.639 -0.421 9.955 1.00 1.55 N ATOM 244 CA ASP A 16 16.054 0.881 10.411 1.00 1.55 C ATOM 245 C ASP A 16 15.336 1.588 9.257 1.00 1.52 C ATOM 246 O ASP A 16 14.243 2.104 9.408 1.00 1.48 O ATOM 247 CB ASP A 16 17.178 1.781 10.928 1.00 1.63 C ATOM 248 CG ASP A 16 17.955 1.053 12.026 1.00 1.65 C ATOM 249 OD1 ASP A 16 18.872 0.321 11.690 1.00 1.64 O ATOM 250 OD2 ASP A 16 17.622 1.240 13.184 1.00 1.68 O ATOM 0 H ASP A 16 17.602 -0.366 9.624 1.00 1.55 H new ATOM 0 HA ASP A 16 15.332 0.682 11.203 1.00 1.55 H new ATOM 0 HB2 ASP A 16 17.848 2.049 10.111 1.00 1.63 H new ATOM 0 HB3 ASP A 16 16.763 2.711 11.318 1.00 1.63 H new ATOM 255 N LYS A 17 15.947 1.627 8.107 1.00 1.55 N ATOM 256 CA LYS A 17 15.311 2.308 6.947 1.00 1.54 C ATOM 257 C LYS A 17 14.035 1.561 6.588 1.00 1.46 C ATOM 258 O LYS A 17 13.062 2.142 6.156 1.00 1.42 O ATOM 259 CB LYS A 17 16.270 2.310 5.755 1.00 1.59 C ATOM 260 CG LYS A 17 17.516 3.128 6.110 1.00 1.67 C ATOM 261 CD LYS A 17 18.363 3.357 4.855 1.00 1.72 C ATOM 262 CE LYS A 17 19.447 4.397 5.152 1.00 1.80 C ATOM 263 NZ LYS A 17 18.839 5.758 5.163 1.00 1.80 N ATOM 0 H LYS A 17 16.861 1.216 7.920 1.00 1.55 H new ATOM 0 HA LYS A 17 15.076 3.341 7.204 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.552 1.289 5.499 1.00 1.59 H new ATOM 0 HB3 LYS A 17 15.779 2.735 4.879 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.223 4.085 6.541 1.00 1.67 H new ATOM 0 HG3 LYS A 17 18.103 2.605 6.865 1.00 1.67 H new ATOM 0 HD2 LYS A 17 18.820 2.420 4.536 1.00 1.72 H new ATOM 0 HD3 LYS A 17 17.732 3.699 4.035 1.00 1.72 H new ATOM 0 HE2 LYS A 17 19.913 4.187 6.115 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.233 4.344 4.399 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 19.588 6.474 5.075 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 18.178 5.849 4.365 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 18.326 5.902 6.056 1.00 1.80 H new ATOM 277 N LEU A 18 14.023 0.274 6.787 1.00 1.43 N ATOM 278 CA LEU A 18 12.798 -0.509 6.482 1.00 1.36 C ATOM 279 C LEU A 18 11.625 0.150 7.210 1.00 1.31 C ATOM 280 O LEU A 18 10.528 0.248 6.695 1.00 1.26 O ATOM 281 CB LEU A 18 12.985 -1.957 6.984 1.00 1.35 C ATOM 282 CG LEU A 18 13.538 -2.846 5.856 1.00 1.35 C ATOM 283 CD1 LEU A 18 14.160 -4.114 6.454 1.00 1.28 C ATOM 284 CD2 LEU A 18 12.409 -3.235 4.885 1.00 1.41 C ATOM 0 H LEU A 18 14.808 -0.268 7.147 1.00 1.43 H new ATOM 0 HA LEU A 18 12.607 -0.530 5.409 1.00 1.36 H new ATOM 0 HB2 LEU A 18 13.668 -1.969 7.834 1.00 1.35 H new ATOM 0 HB3 LEU A 18 12.032 -2.353 7.335 1.00 1.35 H new ATOM 0 HG LEU A 18 14.300 -2.290 5.310 1.00 1.35 H new ATOM 0 HD11 LEU A 18 14.550 -4.741 5.652 1.00 1.28 H new ATOM 0 HD12 LEU A 18 14.972 -3.838 7.127 1.00 1.28 H new ATOM 0 HD13 LEU A 18 13.400 -4.665 7.008 1.00 1.28 H new ATOM 0 HD21 LEU A 18 12.812 -3.864 4.091 1.00 1.41 H new ATOM 0 HD22 LEU A 18 11.637 -3.783 5.425 1.00 1.41 H new ATOM 0 HD23 LEU A 18 11.977 -2.334 4.450 1.00 1.41 H new ATOM 296 N ASN A 19 11.861 0.611 8.404 1.00 1.33 N ATOM 297 CA ASN A 19 10.771 1.269 9.174 1.00 1.29 C ATOM 298 C ASN A 19 10.437 2.615 8.532 1.00 1.30 C ATOM 299 O ASN A 19 9.292 2.918 8.258 1.00 1.25 O ATOM 300 CB ASN A 19 11.225 1.490 10.617 1.00 1.32 C ATOM 301 CG ASN A 19 10.107 2.182 11.400 1.00 1.27 C ATOM 302 OD1 ASN A 19 9.897 3.458 11.224 1.00 1.29 O flip ATOM 303 ND2 ASN A 19 9.417 1.555 12.179 1.00 1.22 N flip ATOM 0 H ASN A 19 12.761 0.561 8.881 1.00 1.33 H new ATOM 0 HA ASN A 19 9.886 0.633 9.167 1.00 1.29 H new ATOM 0 HB2 ASN A 19 11.473 0.536 11.082 1.00 1.32 H new ATOM 0 HB3 ASN A 19 12.129 2.099 10.637 1.00 1.32 H new ATOM 0 HD21 ASN A 19 9.581 0.558 12.317 1.00 1.22 H new ATOM 0 HD22 ASN A 19 8.674 2.026 12.695 1.00 1.22 H new ATOM 310 N VAL A 20 11.428 3.426 8.290 1.00 1.36 N ATOM 311 CA VAL A 20 11.165 4.753 7.664 1.00 1.38 C ATOM 312 C VAL A 20 10.593 4.560 6.255 1.00 1.34 C ATOM 313 O VAL A 20 9.761 5.324 5.799 1.00 1.32 O ATOM 314 CB VAL A 20 12.472 5.542 7.578 1.00 1.46 C ATOM 315 CG1 VAL A 20 12.175 6.972 7.126 1.00 1.48 C ATOM 316 CG2 VAL A 20 13.140 5.571 8.955 1.00 1.50 C ATOM 0 H VAL A 20 12.407 3.229 8.498 1.00 1.36 H new ATOM 0 HA VAL A 20 10.445 5.300 8.272 1.00 1.38 H new ATOM 0 HB VAL A 20 13.139 5.065 6.860 1.00 1.46 H new ATOM 0 HG11 VAL A 20 13.106 7.535 7.065 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.698 6.952 6.146 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.509 7.450 7.845 1.00 1.48 H new ATOM 0 HG21 VAL A 20 14.072 6.133 8.896 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.473 6.049 9.673 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.351 4.552 9.279 1.00 1.50 H new ATOM 326 N VAL A 21 11.027 3.547 5.555 1.00 1.33 N ATOM 327 CA VAL A 21 10.496 3.331 4.183 1.00 1.30 C ATOM 328 C VAL A 21 8.999 3.020 4.270 1.00 1.22 C ATOM 329 O VAL A 21 8.221 3.448 3.436 1.00 1.19 O ATOM 330 CB VAL A 21 11.250 2.180 3.505 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.564 1.822 2.182 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.698 2.615 3.221 1.00 1.38 C ATOM 0 H VAL A 21 11.719 2.867 5.871 1.00 1.33 H new ATOM 0 HA VAL A 21 10.639 4.231 3.585 1.00 1.30 H new ATOM 0 HB VAL A 21 11.248 1.311 4.163 1.00 1.30 H new ATOM 0 HG11 VAL A 21 11.102 1.004 1.703 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.536 1.516 2.376 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.565 2.691 1.525 1.00 1.26 H new ATOM 0 HG21 VAL A 21 13.235 1.798 2.739 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.694 3.485 2.564 1.00 1.38 H new ATOM 0 HG23 VAL A 21 13.192 2.871 4.159 1.00 1.38 H new ATOM 342 N LYS A 22 8.570 2.311 5.284 1.00 1.19 N ATOM 343 CA LYS A 22 7.123 2.033 5.400 1.00 1.12 C ATOM 344 C LYS A 22 6.442 3.381 5.564 1.00 1.12 C ATOM 345 O LYS A 22 5.422 3.629 4.988 1.00 1.09 O ATOM 346 CB LYS A 22 6.877 1.103 6.611 1.00 1.09 C ATOM 347 CG LYS A 22 5.446 1.266 7.204 1.00 1.03 C ATOM 348 CD LYS A 22 5.468 0.942 8.705 1.00 1.03 C ATOM 349 CE LYS A 22 6.009 2.150 9.488 1.00 1.09 C ATOM 350 NZ LYS A 22 6.733 1.670 10.699 1.00 1.14 N ATOM 0 H LYS A 22 9.156 1.921 6.022 1.00 1.19 H new ATOM 0 HA LYS A 22 6.722 1.522 4.524 1.00 1.12 H new ATOM 0 HB2 LYS A 22 7.025 0.067 6.306 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.614 1.316 7.385 1.00 1.09 H new ATOM 0 HG2 LYS A 22 5.091 2.284 7.047 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.751 0.603 6.689 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.464 0.694 9.048 1.00 1.03 H new ATOM 0 HD3 LYS A 22 6.092 0.068 8.889 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.679 2.735 8.858 1.00 1.09 H new ATOM 0 HE3 LYS A 22 5.189 2.807 9.777 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 7.100 2.485 11.230 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.081 1.129 11.302 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.525 1.060 10.411 1.00 1.14 H new ATOM 364 N LYS A 23 7.006 4.240 6.363 1.00 1.17 N ATOM 365 CA LYS A 23 6.394 5.585 6.590 1.00 1.18 C ATOM 366 C LYS A 23 6.293 6.371 5.274 1.00 1.20 C ATOM 367 O LYS A 23 5.429 7.215 5.110 1.00 1.20 O ATOM 368 CB LYS A 23 7.255 6.372 7.579 1.00 1.25 C ATOM 369 CG LYS A 23 7.301 5.632 8.921 1.00 1.23 C ATOM 370 CD LYS A 23 7.938 6.528 10.001 1.00 1.29 C ATOM 371 CE LYS A 23 6.877 7.441 10.627 1.00 1.36 C ATOM 372 NZ LYS A 23 7.488 8.216 11.743 1.00 1.39 N ATOM 0 H LYS A 23 7.872 4.070 6.875 1.00 1.17 H new ATOM 0 HA LYS A 23 5.390 5.445 6.991 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.264 6.492 7.184 1.00 1.25 H new ATOM 0 HB3 LYS A 23 6.846 7.373 7.718 1.00 1.25 H new ATOM 0 HG2 LYS A 23 6.293 5.347 9.222 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.875 4.711 8.817 1.00 1.23 H new ATOM 0 HD2 LYS A 23 8.397 5.910 10.773 1.00 1.29 H new ATOM 0 HD3 LYS A 23 8.733 7.131 9.561 1.00 1.29 H new ATOM 0 HE2 LYS A 23 6.476 8.120 9.875 1.00 1.36 H new ATOM 0 HE3 LYS A 23 6.042 6.846 10.997 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 6.770 8.836 12.169 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 7.850 7.560 12.464 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 8.271 8.794 11.376 1.00 1.39 H new ATOM 386 N THR A 24 7.148 6.107 4.326 1.00 1.22 N ATOM 387 CA THR A 24 7.057 6.860 3.039 1.00 1.24 C ATOM 388 C THR A 24 5.887 6.298 2.263 1.00 1.18 C ATOM 389 O THR A 24 5.207 6.987 1.521 1.00 1.18 O ATOM 390 CB THR A 24 8.350 6.694 2.236 1.00 1.30 C ATOM 391 OG1 THR A 24 9.434 7.249 2.968 1.00 1.36 O ATOM 392 CG2 THR A 24 8.217 7.417 0.895 1.00 1.31 C ATOM 0 H THR A 24 7.895 5.415 4.381 1.00 1.22 H new ATOM 0 HA THR A 24 6.915 7.924 3.229 1.00 1.24 H new ATOM 0 HB THR A 24 8.534 5.634 2.059 1.00 1.30 H new ATOM 0 HG1 THR A 24 10.263 7.142 2.456 1.00 1.36 H new ATOM 0 HG21 THR A 24 9.138 7.298 0.325 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.385 6.992 0.334 1.00 1.31 H new ATOM 0 HG23 THR A 24 8.033 8.477 1.070 1.00 1.31 H new ATOM 400 N LEU A 25 5.620 5.054 2.469 1.00 1.13 N ATOM 401 CA LEU A 25 4.473 4.430 1.800 1.00 1.07 C ATOM 402 C LEU A 25 3.212 4.948 2.497 1.00 1.03 C ATOM 403 O LEU A 25 2.169 5.093 1.893 1.00 0.99 O ATOM 404 CB LEU A 25 4.609 2.919 1.939 1.00 1.03 C ATOM 405 CG LEU A 25 5.893 2.456 1.233 1.00 1.08 C ATOM 406 CD1 LEU A 25 6.076 0.939 1.432 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.830 2.804 -0.272 1.00 1.09 C ATOM 0 H LEU A 25 6.155 4.437 3.080 1.00 1.13 H new ATOM 0 HA LEU A 25 4.423 4.672 0.738 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.639 2.641 2.992 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.742 2.423 1.503 1.00 1.03 H new ATOM 0 HG LEU A 25 6.748 2.973 1.668 1.00 1.08 H new ATOM 0 HD11 LEU A 25 6.987 0.614 0.930 1.00 1.06 H new ATOM 0 HD12 LEU A 25 6.149 0.718 2.497 1.00 1.06 H new ATOM 0 HD13 LEU A 25 5.221 0.411 1.010 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.745 2.471 -0.761 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.974 2.304 -0.725 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.726 3.882 -0.392 1.00 1.09 H new ATOM 419 N ILE A 26 3.319 5.276 3.766 1.00 1.04 N ATOM 420 CA ILE A 26 2.151 5.833 4.489 1.00 1.01 C ATOM 421 C ILE A 26 1.827 7.169 3.851 1.00 1.05 C ATOM 422 O ILE A 26 0.697 7.564 3.789 1.00 1.02 O ATOM 423 CB ILE A 26 2.493 6.054 5.973 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.792 4.705 6.625 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.308 6.706 6.702 1.00 1.02 C ATOM 426 CD1 ILE A 26 3.119 4.883 8.115 1.00 1.01 C ATOM 0 H ILE A 26 4.168 5.178 4.323 1.00 1.04 H new ATOM 0 HA ILE A 26 1.307 5.145 4.430 1.00 1.01 H new ATOM 0 HB ILE A 26 3.361 6.709 6.042 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.934 4.043 6.513 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.631 4.228 6.118 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.564 6.856 7.751 1.00 1.02 H new ATOM 0 HG22 ILE A 26 1.083 7.668 6.242 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.435 6.057 6.631 1.00 1.02 H new ATOM 0 HD11 ILE A 26 3.329 3.910 8.560 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.992 5.527 8.222 1.00 1.01 H new ATOM 0 HD13 ILE A 26 2.268 5.338 8.622 1.00 1.01 H new ATOM 438 N THR A 27 2.828 7.871 3.395 1.00 1.11 N ATOM 439 CA THR A 27 2.593 9.204 2.767 1.00 1.15 C ATOM 440 C THR A 27 1.833 9.044 1.432 1.00 1.12 C ATOM 441 O THR A 27 0.846 9.713 1.191 1.00 1.12 O ATOM 442 CB THR A 27 3.955 9.890 2.545 1.00 1.23 C ATOM 443 OG1 THR A 27 4.409 10.424 3.781 1.00 1.27 O ATOM 444 CG2 THR A 27 3.828 11.026 1.525 1.00 1.27 C ATOM 0 H THR A 27 3.804 7.578 3.430 1.00 1.11 H new ATOM 0 HA THR A 27 1.979 9.821 3.424 1.00 1.15 H new ATOM 0 HB THR A 27 4.663 9.154 2.164 1.00 1.23 H new ATOM 0 HG1 THR A 27 5.276 10.861 3.650 1.00 1.27 H new ATOM 0 HG21 THR A 27 4.800 11.497 1.382 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.477 10.624 0.575 1.00 1.27 H new ATOM 0 HG23 THR A 27 3.116 11.766 1.891 1.00 1.27 H new ATOM 452 N PHE A 28 2.275 8.171 0.566 1.00 1.10 N ATOM 453 CA PHE A 28 1.562 7.994 -0.743 1.00 1.07 C ATOM 454 C PHE A 28 0.076 7.719 -0.458 1.00 1.01 C ATOM 455 O PHE A 28 -0.820 8.279 -1.084 1.00 1.02 O ATOM 456 CB PHE A 28 2.219 6.829 -1.537 1.00 1.05 C ATOM 457 CG PHE A 28 1.218 6.145 -2.447 1.00 1.03 C ATOM 458 CD1 PHE A 28 0.682 6.834 -3.542 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.802 4.834 -2.174 1.00 0.97 C ATOM 460 CE1 PHE A 28 -0.266 6.215 -4.356 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.143 4.213 -2.998 1.00 0.96 C ATOM 462 CZ PHE A 28 -0.680 4.906 -4.088 1.00 1.00 C ATOM 0 H PHE A 28 3.092 7.575 0.702 1.00 1.10 H new ATOM 0 HA PHE A 28 1.639 8.895 -1.351 1.00 1.07 H new ATOM 0 HB2 PHE A 28 3.049 7.214 -2.130 1.00 1.05 H new ATOM 0 HB3 PHE A 28 2.636 6.102 -0.840 1.00 1.05 H new ATOM 0 HD1 PHE A 28 1.002 7.843 -3.756 1.00 1.08 H new ATOM 0 HD2 PHE A 28 1.211 4.303 -1.327 1.00 0.97 H new ATOM 0 HE1 PHE A 28 -0.683 6.749 -5.197 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.457 3.200 -2.793 1.00 0.96 H new ATOM 0 HZ PHE A 28 -1.414 4.431 -4.722 1.00 1.00 H new ATOM 472 N VAL A 29 -0.202 6.877 0.490 1.00 0.97 N ATOM 473 CA VAL A 29 -1.619 6.596 0.804 1.00 0.92 C ATOM 474 C VAL A 29 -2.241 7.852 1.418 1.00 0.95 C ATOM 475 O VAL A 29 -3.354 8.213 1.106 1.00 0.94 O ATOM 476 CB VAL A 29 -1.709 5.410 1.772 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.176 5.039 2.023 1.00 0.81 C ATOM 478 CG2 VAL A 29 -0.992 4.206 1.156 1.00 0.85 C ATOM 0 H VAL A 29 0.484 6.377 1.055 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.164 6.333 -0.103 1.00 0.92 H new ATOM 0 HB VAL A 29 -1.243 5.687 2.717 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -3.225 4.196 2.712 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -3.698 5.892 2.456 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -3.649 4.765 1.080 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -1.052 3.358 1.839 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.467 3.944 0.210 1.00 0.85 H new ATOM 0 HG23 VAL A 29 0.054 4.457 0.980 1.00 0.85 H new ATOM 488 N ASN A 30 -1.515 8.529 2.268 1.00 0.99 N ATOM 489 CA ASN A 30 -2.043 9.777 2.898 1.00 1.03 C ATOM 490 C ASN A 30 -2.425 10.746 1.785 1.00 1.06 C ATOM 491 O ASN A 30 -3.133 11.696 1.992 1.00 1.09 O ATOM 492 CB ASN A 30 -0.959 10.402 3.805 1.00 1.08 C ATOM 493 CG ASN A 30 -1.573 10.960 5.094 1.00 1.08 C ATOM 494 OD1 ASN A 30 -1.715 10.169 6.121 1.00 1.11 O flip ATOM 495 ND2 ASN A 30 -1.916 12.121 5.169 1.00 1.06 N flip ATOM 0 H ASN A 30 -0.571 8.270 2.556 1.00 0.99 H new ATOM 0 HA ASN A 30 -2.916 9.554 3.511 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.209 9.650 4.051 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.446 11.200 3.268 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -1.804 12.739 4.365 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -2.316 12.480 6.036 1.00 1.06 H new ATOM 502 N LYS A 31 -1.953 10.500 0.603 1.00 1.07 N ATOM 503 CA LYS A 31 -2.280 11.398 -0.534 1.00 1.11 C ATOM 504 C LYS A 31 -3.665 11.025 -1.031 1.00 1.06 C ATOM 505 O LYS A 31 -4.575 11.840 -1.057 1.00 1.08 O ATOM 506 CB LYS A 31 -1.247 11.210 -1.661 1.00 1.13 C ATOM 507 CG LYS A 31 -1.351 12.349 -2.711 1.00 1.18 C ATOM 508 CD LYS A 31 -2.210 11.901 -3.904 1.00 1.19 C ATOM 509 CE LYS A 31 -2.656 13.125 -4.709 1.00 1.23 C ATOM 510 NZ LYS A 31 -1.458 13.887 -5.162 1.00 1.29 N ATOM 0 H LYS A 31 -1.350 9.710 0.371 1.00 1.07 H new ATOM 0 HA LYS A 31 -2.257 12.441 -0.219 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -0.242 11.192 -1.238 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -1.406 10.247 -2.147 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -1.788 13.236 -2.253 1.00 1.18 H new ATOM 0 HG3 LYS A 31 -0.355 12.627 -3.056 1.00 1.18 H new ATOM 0 HD2 LYS A 31 -1.641 11.223 -4.540 1.00 1.19 H new ATOM 0 HD3 LYS A 31 -3.081 11.350 -3.550 1.00 1.19 H new ATOM 0 HE2 LYS A 31 -3.247 12.812 -5.569 1.00 1.23 H new ATOM 0 HE3 LYS A 31 -3.295 13.762 -4.098 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 -1.728 14.534 -5.930 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 -1.074 14.435 -4.366 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 -0.735 13.224 -5.506 1.00 1.29 H new ATOM 524 N HIS A 32 -3.854 9.786 -1.392 1.00 1.01 N ATOM 525 CA HIS A 32 -5.175 9.368 -1.846 1.00 0.97 C ATOM 526 C HIS A 32 -6.134 9.576 -0.689 1.00 0.95 C ATOM 527 O HIS A 32 -7.307 9.769 -0.868 1.00 0.95 O ATOM 528 CB HIS A 32 -5.071 7.901 -2.288 1.00 0.91 C ATOM 529 CG HIS A 32 -5.493 6.930 -1.211 1.00 0.93 C ATOM 530 ND1 HIS A 32 -6.718 7.012 -0.576 1.00 0.89 N ATOM 531 CD2 HIS A 32 -4.894 5.800 -0.718 1.00 0.98 C ATOM 532 CE1 HIS A 32 -6.817 5.958 0.253 1.00 0.93 C ATOM 533 NE2 HIS A 32 -5.731 5.189 0.208 1.00 0.98 N ATOM 0 H HIS A 32 -3.140 9.057 -1.386 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.544 9.942 -2.696 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -5.692 7.748 -3.171 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -4.043 7.687 -2.580 1.00 0.91 H new ATOM 0 HD2 HIS A 32 -3.918 5.439 -1.006 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -7.674 5.759 0.880 1.00 0.93 H new ATOM 0 HE2 HIS A 32 -5.552 4.336 0.738 1.00 0.98 H new ATOM 541 N LEU A 33 -5.621 9.559 0.506 1.00 0.95 N ATOM 542 CA LEU A 33 -6.493 9.777 1.698 1.00 0.94 C ATOM 543 C LEU A 33 -6.627 11.287 1.924 1.00 1.01 C ATOM 544 O LEU A 33 -7.718 11.798 2.085 1.00 1.02 O ATOM 545 CB LEU A 33 -5.864 9.098 2.938 1.00 0.92 C ATOM 546 CG LEU A 33 -6.651 7.830 3.333 1.00 0.85 C ATOM 547 CD1 LEU A 33 -5.839 7.012 4.345 1.00 0.82 C ATOM 548 CD2 LEU A 33 -8.018 8.203 3.951 1.00 0.84 C ATOM 0 H LEU A 33 -4.634 9.404 0.713 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.478 9.340 1.534 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -4.827 8.836 2.727 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -5.852 9.798 3.773 1.00 0.92 H new ATOM 0 HG LEU A 33 -6.824 7.238 2.434 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -6.397 6.118 4.622 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -4.888 6.722 3.899 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -5.654 7.614 5.235 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -8.555 7.294 4.222 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -7.861 8.811 4.842 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.603 8.768 3.225 1.00 0.84 H new ATOM 560 N ASN A 34 -5.525 12.008 1.936 1.00 1.05 N ATOM 561 CA ASN A 34 -5.608 13.491 2.147 1.00 1.12 C ATOM 562 C ASN A 34 -6.738 14.051 1.282 1.00 1.14 C ATOM 563 O ASN A 34 -7.325 15.068 1.591 1.00 1.18 O ATOM 564 CB ASN A 34 -4.280 14.166 1.761 1.00 1.18 C ATOM 565 CG ASN A 34 -3.302 14.110 2.939 1.00 1.25 C ATOM 566 OD1 ASN A 34 -3.583 13.359 3.967 1.00 1.26 O flip ATOM 567 ND2 ASN A 34 -2.275 14.759 2.923 1.00 1.29 N flip ATOM 0 H ASN A 34 -4.583 11.637 1.810 1.00 1.05 H new ATOM 0 HA ASN A 34 -5.805 13.693 3.200 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.847 13.667 0.894 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -4.459 15.203 1.475 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -2.055 15.346 2.119 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -1.632 14.716 3.714 1.00 1.29 H new ATOM 574 N LYS A 35 -7.072 13.378 0.214 1.00 1.11 N ATOM 575 CA LYS A 35 -8.196 13.876 -0.632 1.00 1.13 C ATOM 576 C LYS A 35 -9.418 13.978 0.288 1.00 1.11 C ATOM 577 O LYS A 35 -9.969 15.040 0.499 1.00 1.16 O ATOM 578 CB LYS A 35 -8.448 12.877 -1.786 1.00 1.10 C ATOM 579 CG LYS A 35 -8.292 13.568 -3.155 1.00 0.97 C ATOM 580 CD LYS A 35 -6.798 13.781 -3.465 1.00 1.01 C ATOM 581 CE LYS A 35 -6.192 12.508 -4.085 1.00 1.10 C ATOM 582 NZ LYS A 35 -6.281 12.591 -5.570 1.00 1.15 N ATOM 0 H LYS A 35 -6.624 12.519 -0.106 1.00 1.11 H new ATOM 0 HA LYS A 35 -7.976 14.845 -1.079 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -7.747 12.045 -1.712 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -9.450 12.458 -1.698 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -8.751 12.960 -3.934 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -8.812 14.526 -3.150 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -6.678 14.620 -4.151 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -6.263 14.038 -2.551 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -5.152 12.400 -3.777 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -6.724 11.627 -3.726 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -5.394 12.247 -5.991 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -7.073 12.005 -5.904 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -6.438 13.579 -5.854 1.00 1.15 H new ATOM 596 N LEU A 36 -9.804 12.877 0.875 1.00 1.04 N ATOM 597 CA LEU A 36 -10.947 12.897 1.832 1.00 1.02 C ATOM 598 C LEU A 36 -10.465 13.635 3.092 1.00 1.05 C ATOM 599 O LEU A 36 -11.142 13.718 4.091 1.00 1.03 O ATOM 600 CB LEU A 36 -11.326 11.448 2.179 1.00 0.95 C ATOM 601 CG LEU A 36 -12.836 11.310 2.443 1.00 0.94 C ATOM 602 CD1 LEU A 36 -13.189 9.826 2.575 1.00 0.97 C ATOM 603 CD2 LEU A 36 -13.222 12.038 3.737 1.00 0.89 C ATOM 0 H LEU A 36 -9.376 11.962 0.732 1.00 1.04 H new ATOM 0 HA LEU A 36 -11.820 13.395 1.410 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -11.037 10.789 1.361 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -10.770 11.126 3.060 1.00 0.95 H new ATOM 0 HG LEU A 36 -13.383 11.754 1.611 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -14.258 9.721 2.762 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -12.930 9.307 1.652 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -12.631 9.392 3.405 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -14.293 11.931 3.909 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -12.675 11.606 4.575 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -12.973 13.095 3.648 1.00 0.89 H new ATOM 615 N ASN A 37 -9.269 14.144 3.024 1.00 1.11 N ATOM 616 CA ASN A 37 -8.651 14.878 4.155 1.00 1.16 C ATOM 617 C ASN A 37 -8.674 14.043 5.426 1.00 1.11 C ATOM 618 O ASN A 37 -9.457 14.248 6.329 1.00 1.12 O ATOM 619 CB ASN A 37 -9.330 16.233 4.341 1.00 1.22 C ATOM 620 CG ASN A 37 -10.715 16.101 4.985 1.00 1.19 C ATOM 621 OD1 ASN A 37 -11.705 15.952 4.295 1.00 1.16 O ATOM 622 ND2 ASN A 37 -10.835 16.180 6.282 1.00 1.21 N ATOM 0 H ASN A 37 -8.674 14.077 2.198 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.603 15.065 3.922 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -8.701 16.871 4.962 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -9.426 16.726 3.373 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -11.757 16.117 6.714 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -10.007 16.305 6.864 1.00 1.21 H new ATOM 629 N LEU A 38 -7.781 13.101 5.489 1.00 1.06 N ATOM 630 CA LEU A 38 -7.677 12.218 6.694 1.00 1.02 C ATOM 631 C LEU A 38 -6.196 12.015 7.039 1.00 1.02 C ATOM 632 O LEU A 38 -5.365 12.852 6.748 1.00 1.06 O ATOM 633 CB LEU A 38 -8.338 10.870 6.396 1.00 0.98 C ATOM 634 CG LEU A 38 -9.859 11.048 6.247 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.485 9.719 5.801 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.481 11.492 7.589 1.00 1.02 C ATOM 0 H LEU A 38 -7.107 12.897 4.751 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.184 12.681 7.541 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -7.922 10.447 5.482 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -8.124 10.166 7.200 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.056 11.816 5.499 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.563 9.842 5.695 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -10.058 9.419 4.844 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -10.279 8.951 6.547 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.557 11.614 7.468 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.284 10.736 8.349 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.041 12.440 7.898 1.00 1.02 H new ATOM 648 N GLU A 39 -5.860 10.920 7.666 1.00 1.02 N ATOM 649 CA GLU A 39 -4.437 10.680 8.036 1.00 1.03 C ATOM 650 C GLU A 39 -4.237 9.200 8.381 1.00 0.98 C ATOM 651 O GLU A 39 -4.823 8.684 9.312 1.00 0.95 O ATOM 652 CB GLU A 39 -4.081 11.545 9.251 1.00 1.08 C ATOM 653 CG GLU A 39 -2.620 11.306 9.663 1.00 1.11 C ATOM 654 CD GLU A 39 -2.514 10.034 10.512 1.00 1.16 C ATOM 655 OE1 GLU A 39 -3.405 9.802 11.312 1.00 1.13 O ATOM 656 OE2 GLU A 39 -1.542 9.316 10.348 1.00 1.24 O ATOM 0 H GLU A 39 -6.510 10.182 7.938 1.00 1.02 H new ATOM 0 HA GLU A 39 -3.791 10.942 7.198 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -4.232 12.598 9.014 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -4.744 11.308 10.083 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -1.994 11.213 8.775 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.248 12.161 10.227 1.00 1.11 H new ATOM 663 N VAL A 40 -3.412 8.515 7.633 1.00 0.98 N ATOM 664 CA VAL A 40 -3.159 7.060 7.900 1.00 0.94 C ATOM 665 C VAL A 40 -1.832 6.906 8.655 1.00 0.95 C ATOM 666 O VAL A 40 -0.995 7.786 8.633 1.00 0.99 O ATOM 667 CB VAL A 40 -3.091 6.325 6.559 1.00 0.91 C ATOM 668 CG1 VAL A 40 -2.167 7.089 5.605 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.570 4.897 6.756 1.00 0.89 C ATOM 0 H VAL A 40 -2.897 8.901 6.842 1.00 0.98 H new ATOM 0 HA VAL A 40 -3.960 6.639 8.508 1.00 0.94 H new ATOM 0 HB VAL A 40 -4.093 6.272 6.133 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -2.118 6.566 4.650 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.557 8.095 5.449 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -1.168 7.150 6.037 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -2.528 4.389 5.793 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.572 4.931 7.192 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -3.239 4.354 7.424 1.00 0.89 H new ATOM 679 N THR A 41 -1.635 5.797 9.336 1.00 0.93 N ATOM 680 CA THR A 41 -0.359 5.604 10.103 1.00 0.95 C ATOM 681 C THR A 41 0.108 4.144 10.047 1.00 0.91 C ATOM 682 O THR A 41 1.169 3.825 10.547 1.00 0.96 O ATOM 683 CB THR A 41 -0.601 5.973 11.576 1.00 1.01 C ATOM 684 OG1 THR A 41 -1.625 6.955 11.652 1.00 1.12 O ATOM 685 CG2 THR A 41 0.684 6.526 12.206 1.00 1.20 C ATOM 0 H THR A 41 -2.297 5.023 9.393 1.00 0.93 H new ATOM 0 HA THR A 41 0.406 6.239 9.656 1.00 0.95 H new ATOM 0 HB THR A 41 -0.903 5.078 12.120 1.00 1.01 H new ATOM 0 HG1 THR A 41 -1.343 7.759 11.168 1.00 1.12 H new ATOM 0 HG21 THR A 41 0.497 6.783 13.249 1.00 1.20 H new ATOM 0 HG22 THR A 41 1.469 5.772 12.153 1.00 1.20 H new ATOM 0 HG23 THR A 41 1.001 7.417 11.664 1.00 1.20 H new ATOM 693 N GLU A 42 -0.666 3.249 9.482 1.00 0.86 N ATOM 694 CA GLU A 42 -0.236 1.811 9.444 1.00 0.83 C ATOM 695 C GLU A 42 -0.356 1.262 8.027 1.00 0.81 C ATOM 696 O GLU A 42 -1.308 0.593 7.696 1.00 0.88 O ATOM 697 CB GLU A 42 -1.137 0.990 10.373 1.00 0.78 C ATOM 698 CG GLU A 42 -1.128 1.596 11.785 1.00 0.77 C ATOM 699 CD GLU A 42 -2.104 2.775 11.857 1.00 0.78 C ATOM 700 OE1 GLU A 42 -2.671 3.116 10.832 1.00 0.84 O ATOM 701 OE2 GLU A 42 -2.268 3.314 12.939 1.00 0.83 O ATOM 0 H GLU A 42 -1.568 3.446 9.049 1.00 0.86 H new ATOM 0 HA GLU A 42 0.802 1.744 9.769 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -2.155 0.971 9.983 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.791 -0.043 10.409 1.00 0.78 H new ATOM 0 HG2 GLU A 42 -1.407 0.838 12.517 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -0.122 1.930 12.040 1.00 0.77 H new ATOM 708 N LEU A 43 0.609 1.508 7.189 1.00 0.80 N ATOM 709 CA LEU A 43 0.520 0.968 5.810 1.00 0.78 C ATOM 710 C LEU A 43 0.356 -0.548 5.902 1.00 0.74 C ATOM 711 O LEU A 43 -0.446 -1.148 5.216 1.00 0.70 O ATOM 712 CB LEU A 43 1.804 1.330 5.044 1.00 0.86 C ATOM 713 CG LEU A 43 1.819 0.720 3.627 1.00 0.83 C ATOM 714 CD1 LEU A 43 2.089 -0.801 3.659 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.485 1.003 2.920 1.00 0.90 C ATOM 0 H LEU A 43 1.446 2.053 7.397 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.331 1.393 5.278 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.891 2.414 4.974 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.671 0.976 5.601 1.00 0.86 H new ATOM 0 HG LEU A 43 2.633 1.188 3.073 1.00 0.83 H new ATOM 0 HD11 LEU A 43 2.091 -1.192 2.641 1.00 0.85 H new ATOM 0 HD12 LEU A 43 3.058 -0.989 4.122 1.00 0.85 H new ATOM 0 HD13 LEU A 43 1.309 -1.297 4.236 1.00 0.85 H new ATOM 0 HD21 LEU A 43 0.504 0.569 1.920 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.331 0.561 3.492 1.00 0.90 H new ATOM 0 HD23 LEU A 43 0.334 2.080 2.845 1.00 0.90 H new ATOM 727 N GLU A 44 1.119 -1.174 6.745 1.00 0.79 N ATOM 728 CA GLU A 44 1.018 -2.655 6.877 1.00 0.77 C ATOM 729 C GLU A 44 -0.439 -3.090 7.147 1.00 0.69 C ATOM 730 O GLU A 44 -1.040 -3.844 6.400 1.00 0.70 O ATOM 731 CB GLU A 44 1.912 -3.125 8.048 1.00 0.83 C ATOM 732 CG GLU A 44 2.885 -2.021 8.444 1.00 0.84 C ATOM 733 CD GLU A 44 3.889 -2.562 9.464 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.586 -3.564 10.090 1.00 1.14 O ATOM 735 OE2 GLU A 44 4.944 -1.965 9.600 1.00 1.11 O ATOM 0 H GLU A 44 1.809 -0.729 7.350 1.00 0.79 H new ATOM 0 HA GLU A 44 1.348 -3.108 5.942 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.292 -3.397 8.902 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.464 -4.019 7.758 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.410 -1.652 7.563 1.00 0.84 H new ATOM 0 HG3 GLU A 44 2.340 -1.177 8.867 1.00 0.84 H new ATOM 742 N THR A 45 -0.988 -2.639 8.232 1.00 0.65 N ATOM 743 CA THR A 45 -2.376 -3.040 8.598 1.00 0.60 C ATOM 744 C THR A 45 -3.397 -2.354 7.696 1.00 0.58 C ATOM 745 O THR A 45 -4.582 -2.585 7.810 1.00 0.58 O ATOM 746 CB THR A 45 -2.650 -2.653 10.054 1.00 0.65 C ATOM 747 OG1 THR A 45 -2.883 -1.254 10.135 1.00 0.84 O ATOM 748 CG2 THR A 45 -1.446 -3.024 10.919 1.00 0.64 C ATOM 0 H THR A 45 -0.535 -2.004 8.890 1.00 0.65 H new ATOM 0 HA THR A 45 -2.468 -4.119 8.472 1.00 0.60 H new ATOM 0 HB THR A 45 -3.529 -3.189 10.413 1.00 0.65 H new ATOM 0 HG1 THR A 45 -3.060 -1.005 11.066 1.00 0.84 H new ATOM 0 HG21 THR A 45 -1.643 -2.748 11.955 1.00 0.64 H new ATOM 0 HG22 THR A 45 -1.271 -4.098 10.857 1.00 0.64 H new ATOM 0 HG23 THR A 45 -0.564 -2.491 10.563 1.00 0.64 H new ATOM 756 N GLN A 46 -2.972 -1.520 6.792 1.00 0.59 N ATOM 757 CA GLN A 46 -3.956 -0.856 5.915 1.00 0.59 C ATOM 758 C GLN A 46 -4.423 -1.861 4.879 1.00 0.54 C ATOM 759 O GLN A 46 -5.482 -1.725 4.300 1.00 0.58 O ATOM 760 CB GLN A 46 -3.332 0.368 5.237 1.00 0.65 C ATOM 761 CG GLN A 46 -3.336 1.564 6.219 1.00 0.66 C ATOM 762 CD GLN A 46 -4.500 2.513 5.904 1.00 0.78 C ATOM 763 OE1 GLN A 46 -4.627 2.991 4.794 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.357 2.805 6.843 1.00 1.04 N ATOM 0 H GLN A 46 -1.996 -1.275 6.627 1.00 0.59 H new ATOM 0 HA GLN A 46 -4.805 -0.509 6.504 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.312 0.143 4.926 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -3.891 0.622 4.336 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.422 1.201 7.243 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.391 2.102 6.150 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.250 2.403 7.774 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.135 3.435 6.646 1.00 1.04 H new ATOM 773 N PHE A 47 -3.654 -2.900 4.663 1.00 0.50 N ATOM 774 CA PHE A 47 -4.067 -3.934 3.701 1.00 0.49 C ATOM 775 C PHE A 47 -4.769 -5.007 4.504 1.00 0.46 C ATOM 776 O PHE A 47 -5.453 -5.855 3.975 1.00 0.49 O ATOM 777 CB PHE A 47 -2.842 -4.509 2.998 1.00 0.54 C ATOM 778 CG PHE A 47 -2.419 -3.596 1.866 1.00 0.63 C ATOM 779 CD1 PHE A 47 -1.985 -2.294 2.144 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.456 -4.051 0.543 1.00 0.71 C ATOM 781 CE1 PHE A 47 -1.589 -1.450 1.100 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.058 -3.207 -0.500 1.00 0.83 C ATOM 783 CZ PHE A 47 -1.625 -1.907 -0.222 1.00 0.89 C ATOM 0 H PHE A 47 -2.757 -3.065 5.120 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.725 -3.527 2.933 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -2.024 -4.623 3.709 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.068 -5.502 2.610 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -1.956 -1.941 3.164 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -2.792 -5.054 0.327 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.255 -0.446 1.315 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.085 -3.560 -1.520 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.318 -1.256 -1.027 1.00 0.89 H new ATOM 793 N ALA A 48 -4.636 -4.932 5.797 1.00 0.42 N ATOM 794 CA ALA A 48 -5.326 -5.909 6.684 1.00 0.40 C ATOM 795 C ALA A 48 -6.810 -5.615 6.627 1.00 0.36 C ATOM 796 O ALA A 48 -7.550 -5.824 7.568 1.00 0.36 O ATOM 797 CB ALA A 48 -4.818 -5.782 8.122 1.00 0.42 C ATOM 0 H ALA A 48 -4.075 -4.231 6.282 1.00 0.42 H new ATOM 0 HA ALA A 48 -5.124 -6.927 6.350 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -5.334 -6.504 8.755 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.746 -5.977 8.148 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -5.012 -4.774 8.489 1.00 0.42 H new ATOM 803 N ASP A 49 -7.237 -5.118 5.512 1.00 0.34 N ATOM 804 CA ASP A 49 -8.662 -4.783 5.333 1.00 0.32 C ATOM 805 C ASP A 49 -8.922 -4.557 3.849 1.00 0.31 C ATOM 806 O ASP A 49 -10.026 -4.705 3.367 1.00 0.31 O ATOM 807 CB ASP A 49 -8.960 -3.505 6.118 1.00 0.32 C ATOM 808 CG ASP A 49 -8.218 -2.323 5.488 1.00 0.33 C ATOM 809 OD1 ASP A 49 -8.737 -1.761 4.537 1.00 0.36 O ATOM 810 OD2 ASP A 49 -7.145 -1.999 5.968 1.00 0.34 O ATOM 0 H ASP A 49 -6.647 -4.927 4.702 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.301 -5.589 5.694 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -10.033 -3.312 6.122 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -8.654 -3.626 7.157 1.00 0.32 H new ATOM 815 N GLY A 50 -7.902 -4.192 3.121 1.00 0.32 N ATOM 816 CA GLY A 50 -8.078 -3.942 1.659 1.00 0.33 C ATOM 817 C GLY A 50 -9.196 -2.900 1.432 1.00 0.33 C ATOM 818 O GLY A 50 -9.473 -2.485 0.316 1.00 0.34 O ATOM 0 H GLY A 50 -6.955 -4.056 3.474 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.143 -3.584 1.228 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.328 -4.873 1.150 1.00 0.33 H new ATOM 822 N VAL A 51 -9.838 -2.461 2.479 1.00 0.33 N ATOM 823 CA VAL A 51 -10.914 -1.451 2.312 1.00 0.36 C ATOM 824 C VAL A 51 -10.266 -0.123 1.964 1.00 0.40 C ATOM 825 O VAL A 51 -10.517 0.447 0.925 1.00 0.42 O ATOM 826 CB VAL A 51 -11.671 -1.295 3.621 1.00 0.37 C ATOM 827 CG1 VAL A 51 -12.736 -0.207 3.471 1.00 0.43 C ATOM 828 CG2 VAL A 51 -12.339 -2.621 3.998 1.00 0.36 C ATOM 0 H VAL A 51 -9.663 -2.758 3.439 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.603 -1.764 1.527 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.972 -1.011 4.407 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -13.278 -0.096 4.410 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -12.257 0.738 3.215 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -13.433 -0.486 2.681 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.880 -2.502 4.937 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -13.036 -2.914 3.213 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.577 -3.392 4.113 1.00 0.36 H new ATOM 838 N TYR A 52 -9.400 0.365 2.818 1.00 0.41 N ATOM 839 CA TYR A 52 -8.705 1.649 2.519 1.00 0.47 C ATOM 840 C TYR A 52 -8.167 1.572 1.093 1.00 0.47 C ATOM 841 O TYR A 52 -7.824 2.564 0.482 1.00 0.51 O ATOM 842 CB TYR A 52 -7.543 1.848 3.496 1.00 0.49 C ATOM 843 CG TYR A 52 -8.079 2.262 4.849 1.00 0.51 C ATOM 844 CD1 TYR A 52 -8.567 3.561 5.040 1.00 0.57 C ATOM 845 CD2 TYR A 52 -8.086 1.349 5.911 1.00 0.48 C ATOM 846 CE1 TYR A 52 -9.061 3.946 6.293 1.00 0.60 C ATOM 847 CE2 TYR A 52 -8.581 1.735 7.163 1.00 0.51 C ATOM 848 CZ TYR A 52 -9.068 3.033 7.354 1.00 0.57 C ATOM 849 OH TYR A 52 -9.554 3.414 8.588 1.00 0.60 O ATOM 0 H TYR A 52 -9.147 -0.070 3.705 1.00 0.41 H new ATOM 0 HA TYR A 52 -9.396 2.486 2.621 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -6.970 0.925 3.588 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -6.862 2.609 3.116 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -8.562 4.266 4.221 1.00 0.57 H new ATOM 0 HD2 TYR A 52 -7.710 0.347 5.765 1.00 0.48 H new ATOM 0 HE1 TYR A 52 -9.437 4.948 6.440 1.00 0.60 H new ATOM 0 HE2 TYR A 52 -8.587 1.031 7.982 1.00 0.51 H new ATOM 0 HH TYR A 52 -9.488 2.661 9.212 1.00 0.60 H new ATOM 859 N LEU A 53 -8.123 0.382 0.555 1.00 0.43 N ATOM 860 CA LEU A 53 -7.637 0.210 -0.841 1.00 0.44 C ATOM 861 C LEU A 53 -8.757 0.663 -1.784 1.00 0.45 C ATOM 862 O LEU A 53 -8.543 1.496 -2.644 1.00 0.50 O ATOM 863 CB LEU A 53 -7.260 -1.274 -1.079 1.00 0.41 C ATOM 864 CG LEU A 53 -5.804 -1.431 -1.572 1.00 0.44 C ATOM 865 CD1 LEU A 53 -5.522 -0.512 -2.778 1.00 0.44 C ATOM 866 CD2 LEU A 53 -4.827 -1.124 -0.416 1.00 0.46 C ATOM 0 H LEU A 53 -8.404 -0.479 1.025 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.745 0.809 -1.026 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -7.391 -1.834 -0.153 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.940 -1.707 -1.813 1.00 0.41 H new ATOM 0 HG LEU A 53 -5.658 -2.460 -1.900 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -4.490 -0.644 -3.103 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -6.195 -0.768 -3.596 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -5.681 0.527 -2.489 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -3.801 -1.236 -0.767 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -4.983 -0.102 -0.070 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -5.007 -1.817 0.406 1.00 0.46 H new ATOM 878 N VAL A 54 -9.964 0.155 -1.634 1.00 0.43 N ATOM 879 CA VAL A 54 -11.048 0.644 -2.550 1.00 0.46 C ATOM 880 C VAL A 54 -11.036 2.175 -2.523 1.00 0.51 C ATOM 881 O VAL A 54 -11.239 2.848 -3.521 1.00 0.55 O ATOM 882 CB VAL A 54 -12.422 0.115 -2.080 1.00 0.44 C ATOM 883 CG1 VAL A 54 -13.055 1.022 -1.020 1.00 0.49 C ATOM 884 CG2 VAL A 54 -13.378 0.020 -3.276 1.00 0.41 C ATOM 0 H VAL A 54 -10.237 -0.548 -0.947 1.00 0.43 H new ATOM 0 HA VAL A 54 -10.875 0.283 -3.564 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.256 -0.868 -1.639 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -14.019 0.612 -0.719 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -12.398 1.080 -0.152 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -13.199 2.020 -1.434 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -14.345 -0.353 -2.940 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -13.505 1.007 -3.720 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -12.964 -0.662 -4.019 1.00 0.41 H new ATOM 894 N LEU A 55 -10.786 2.715 -1.367 1.00 0.52 N ATOM 895 CA LEU A 55 -10.745 4.190 -1.226 1.00 0.58 C ATOM 896 C LEU A 55 -9.645 4.749 -2.138 1.00 0.62 C ATOM 897 O LEU A 55 -9.867 5.674 -2.867 1.00 0.66 O ATOM 898 CB LEU A 55 -10.467 4.557 0.248 1.00 0.59 C ATOM 899 CG LEU A 55 -11.798 4.702 1.023 1.00 0.60 C ATOM 900 CD1 LEU A 55 -11.570 4.434 2.519 1.00 0.58 C ATOM 901 CD2 LEU A 55 -12.351 6.124 0.840 1.00 0.67 C ATOM 0 H LEU A 55 -10.607 2.193 -0.509 1.00 0.52 H new ATOM 0 HA LEU A 55 -11.702 4.623 -1.518 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -9.850 3.787 0.712 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -9.905 5.490 0.298 1.00 0.59 H new ATOM 0 HG LEU A 55 -12.513 3.978 0.633 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -12.513 4.539 3.055 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -11.187 3.422 2.653 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -10.848 5.151 2.911 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -13.289 6.223 1.387 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -11.630 6.847 1.222 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -12.527 6.312 -0.219 1.00 0.67 H new ATOM 913 N LEU A 56 -8.467 4.184 -2.122 1.00 0.62 N ATOM 914 CA LEU A 56 -7.379 4.701 -3.013 1.00 0.66 C ATOM 915 C LEU A 56 -7.935 4.875 -4.419 1.00 0.67 C ATOM 916 O LEU A 56 -7.909 5.945 -4.988 1.00 0.72 O ATOM 917 CB LEU A 56 -6.221 3.673 -3.021 1.00 0.65 C ATOM 918 CG LEU A 56 -5.297 3.850 -4.238 1.00 0.69 C ATOM 919 CD1 LEU A 56 -4.781 5.285 -4.299 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.110 2.894 -4.102 1.00 0.66 C ATOM 0 H LEU A 56 -8.209 3.391 -1.535 1.00 0.62 H new ATOM 0 HA LEU A 56 -7.010 5.662 -2.654 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.638 3.777 -2.106 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.633 2.664 -3.023 1.00 0.65 H new ATOM 0 HG LEU A 56 -5.854 3.633 -5.149 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.128 5.400 -5.164 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -5.623 5.971 -4.386 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -4.223 5.510 -3.390 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -3.448 3.011 -4.960 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.562 3.122 -3.188 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.473 1.867 -4.061 1.00 0.66 H new ATOM 932 N MET A 57 -8.432 3.823 -4.974 1.00 0.62 N ATOM 933 CA MET A 57 -8.981 3.890 -6.358 1.00 0.63 C ATOM 934 C MET A 57 -9.873 5.128 -6.552 1.00 0.68 C ATOM 935 O MET A 57 -9.744 5.848 -7.528 1.00 0.72 O ATOM 936 CB MET A 57 -9.801 2.629 -6.637 1.00 0.58 C ATOM 937 CG MET A 57 -8.868 1.418 -6.710 1.00 0.55 C ATOM 938 SD MET A 57 -7.860 1.520 -8.210 1.00 0.60 S ATOM 939 CE MET A 57 -6.840 0.058 -7.898 1.00 0.57 C ATOM 0 H MET A 57 -8.487 2.905 -4.532 1.00 0.62 H new ATOM 0 HA MET A 57 -8.144 3.962 -7.052 1.00 0.63 H new ATOM 0 HB2 MET A 57 -10.542 2.483 -5.851 1.00 0.58 H new ATOM 0 HB3 MET A 57 -10.347 2.738 -7.574 1.00 0.58 H new ATOM 0 HG2 MET A 57 -8.226 1.387 -5.830 1.00 0.55 H new ATOM 0 HG3 MET A 57 -9.450 0.497 -6.713 1.00 0.55 H new ATOM 0 HE1 MET A 57 -6.131 -0.073 -8.716 1.00 0.57 H new ATOM 0 HE2 MET A 57 -6.295 0.187 -6.963 1.00 0.57 H new ATOM 0 HE3 MET A 57 -7.478 -0.823 -7.827 1.00 0.57 H new ATOM 949 N GLY A 58 -10.804 5.361 -5.669 1.00 0.67 N ATOM 950 CA GLY A 58 -11.729 6.524 -5.861 1.00 0.73 C ATOM 951 C GLY A 58 -11.083 7.877 -5.535 1.00 0.79 C ATOM 952 O GLY A 58 -11.157 8.803 -6.318 1.00 0.84 O ATOM 0 H GLY A 58 -10.967 4.805 -4.829 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -12.077 6.535 -6.894 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.608 6.388 -5.230 1.00 0.73 H new ATOM 956 N LEU A 59 -10.472 8.016 -4.401 1.00 0.79 N ATOM 957 CA LEU A 59 -9.855 9.326 -4.054 1.00 0.86 C ATOM 958 C LEU A 59 -8.840 9.678 -5.130 1.00 0.88 C ATOM 959 O LEU A 59 -8.449 10.817 -5.293 1.00 0.94 O ATOM 960 CB LEU A 59 -9.212 9.269 -2.655 1.00 0.86 C ATOM 961 CG LEU A 59 -10.232 8.703 -1.634 1.00 0.82 C ATOM 962 CD1 LEU A 59 -9.727 8.918 -0.203 1.00 0.82 C ATOM 963 CD2 LEU A 59 -11.587 9.414 -1.783 1.00 0.87 C ATOM 0 H LEU A 59 -10.370 7.285 -3.697 1.00 0.79 H new ATOM 0 HA LEU A 59 -10.617 10.105 -4.017 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.321 8.642 -2.679 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -8.892 10.266 -2.350 1.00 0.86 H new ATOM 0 HG LEU A 59 -10.349 7.637 -1.830 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -10.453 8.516 0.503 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -8.773 8.407 -0.073 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -9.595 9.984 -0.020 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -12.293 9.006 -1.060 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -11.459 10.482 -1.604 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -11.970 9.259 -2.792 1.00 0.87 H new ATOM 975 N LEU A 60 -8.450 8.706 -5.892 1.00 0.84 N ATOM 976 CA LEU A 60 -7.498 8.960 -7.004 1.00 0.87 C ATOM 977 C LEU A 60 -8.289 9.626 -8.126 1.00 0.91 C ATOM 978 O LEU A 60 -7.980 10.718 -8.560 1.00 0.96 O ATOM 979 CB LEU A 60 -6.917 7.622 -7.495 1.00 0.82 C ATOM 980 CG LEU A 60 -5.760 7.827 -8.501 1.00 0.87 C ATOM 981 CD1 LEU A 60 -6.264 8.487 -9.796 1.00 0.83 C ATOM 982 CD2 LEU A 60 -4.643 8.683 -7.875 1.00 0.91 C ATOM 0 H LEU A 60 -8.751 7.736 -5.794 1.00 0.84 H new ATOM 0 HA LEU A 60 -6.674 9.596 -6.682 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -6.557 7.048 -6.641 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -7.706 7.035 -7.965 1.00 0.82 H new ATOM 0 HG LEU A 60 -5.356 6.845 -8.749 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -5.430 8.619 -10.485 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -7.019 7.852 -10.258 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -6.700 9.459 -9.563 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -3.838 8.816 -8.598 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -5.044 9.657 -7.595 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -4.255 8.182 -6.988 1.00 0.91 H new ATOM 994 N GLU A 61 -9.322 8.973 -8.591 1.00 0.87 N ATOM 995 CA GLU A 61 -10.150 9.566 -9.676 1.00 0.91 C ATOM 996 C GLU A 61 -10.887 10.791 -9.131 1.00 0.96 C ATOM 997 O GLU A 61 -11.297 11.663 -9.871 1.00 1.00 O ATOM 998 CB GLU A 61 -11.169 8.533 -10.161 1.00 0.86 C ATOM 999 CG GLU A 61 -10.436 7.354 -10.804 1.00 0.82 C ATOM 1000 CD GLU A 61 -11.454 6.403 -11.436 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -11.904 6.693 -12.532 1.00 0.77 O ATOM 1002 OE2 GLU A 61 -11.765 5.401 -10.814 1.00 0.74 O ATOM 0 H GLU A 61 -9.626 8.056 -8.265 1.00 0.87 H new ATOM 0 HA GLU A 61 -9.510 9.861 -10.507 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -11.776 8.185 -9.325 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -11.849 8.988 -10.881 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -9.740 7.714 -11.562 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -9.846 6.826 -10.054 1.00 0.82 H new ATOM 1009 N GLY A 62 -11.057 10.862 -7.837 1.00 0.95 N ATOM 1010 CA GLY A 62 -11.766 12.029 -7.235 1.00 1.01 C ATOM 1011 C GLY A 62 -13.275 11.805 -7.301 1.00 1.00 C ATOM 1012 O GLY A 62 -13.984 12.485 -8.016 1.00 1.03 O ATOM 0 H GLY A 62 -10.735 10.161 -7.170 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -11.453 12.162 -6.199 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -11.501 12.942 -7.768 1.00 1.01 H new ATOM 1207 N PRO A 74 -14.044 -5.602 7.761 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.335 -6.903 7.846 1.00 0.35 C ATOM 1209 C PRO A 74 -13.792 -7.651 9.100 1.00 0.35 C ATOM 1210 O PRO A 74 -13.880 -7.082 10.170 1.00 0.40 O ATOM 1211 CB PRO A 74 -11.844 -6.504 7.900 1.00 0.37 C ATOM 1212 CG PRO A 74 -11.755 -5.073 7.320 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.155 -4.449 7.466 1.00 0.47 C ATOM 0 HA PRO A 74 -13.532 -7.578 7.013 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.471 -6.532 8.924 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.235 -7.197 7.320 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.011 -4.484 7.856 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.449 -5.098 6.274 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -13.180 -3.712 8.269 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -13.459 -3.936 6.553 1.00 0.47 H new ATOM 1221 N ASP A 75 -14.109 -8.922 8.970 1.00 0.34 N ATOM 1222 CA ASP A 75 -14.592 -9.704 10.155 1.00 0.38 C ATOM 1223 C ASP A 75 -13.501 -10.659 10.631 1.00 0.36 C ATOM 1224 O ASP A 75 -13.235 -10.789 11.810 1.00 0.36 O ATOM 1225 CB ASP A 75 -15.836 -10.511 9.729 1.00 0.46 C ATOM 1226 CG ASP A 75 -16.848 -10.584 10.879 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -17.679 -9.696 10.968 1.00 0.82 O ATOM 1228 OD2 ASP A 75 -16.771 -11.526 11.651 1.00 1.34 O ATOM 0 H ASP A 75 -14.054 -9.448 8.098 1.00 0.34 H new ATOM 0 HA ASP A 75 -14.841 -9.025 10.971 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -16.298 -10.045 8.859 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.540 -11.517 9.433 1.00 0.46 H new ATOM 1233 N SER A 76 -12.897 -11.349 9.713 1.00 0.38 N ATOM 1234 CA SER A 76 -11.840 -12.342 10.067 1.00 0.41 C ATOM 1235 C SER A 76 -10.669 -12.239 9.098 1.00 0.39 C ATOM 1236 O SER A 76 -10.526 -11.296 8.354 1.00 0.37 O ATOM 1237 CB SER A 76 -12.426 -13.748 9.982 1.00 0.51 C ATOM 1238 OG SER A 76 -13.104 -13.901 8.742 1.00 0.54 O ATOM 0 H SER A 76 -13.090 -11.270 8.715 1.00 0.38 H new ATOM 0 HA SER A 76 -11.488 -12.137 11.078 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.633 -14.491 10.070 1.00 0.51 H new ATOM 0 HB3 SER A 76 -13.115 -13.918 10.809 1.00 0.51 H new ATOM 0 HG SER A 76 -13.480 -14.804 8.684 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.813 -13.203 9.125 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.645 -13.187 8.222 1.00 0.44 C ATOM 1246 C PHE A 77 -9.107 -13.421 6.808 1.00 0.48 C ATOM 1247 O PHE A 77 -8.862 -12.643 5.932 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.703 -14.312 8.651 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.531 -14.459 7.697 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.729 -13.354 7.379 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -6.231 -15.717 7.153 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.628 -13.508 6.517 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -5.138 -15.869 6.291 1.00 0.87 C ATOM 1254 CZ PHE A 77 -4.336 -14.766 5.975 1.00 0.90 C ATOM 0 H PHE A 77 -9.871 -14.013 9.742 1.00 0.42 H new ATOM 0 HA PHE A 77 -8.132 -12.226 8.272 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -7.331 -14.112 9.656 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -8.255 -15.251 8.697 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -5.957 -12.384 7.796 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.845 -16.571 7.400 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -4.009 -12.657 6.273 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.914 -16.838 5.870 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.491 -14.885 5.313 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.766 -14.489 6.592 1.00 0.51 N ATOM 1265 CA GLU A 78 -10.250 -14.806 5.222 1.00 0.56 C ATOM 1266 C GLU A 78 -10.893 -13.573 4.569 1.00 0.53 C ATOM 1267 O GLU A 78 -10.644 -13.293 3.413 1.00 0.59 O ATOM 1268 CB GLU A 78 -11.265 -15.972 5.314 1.00 0.63 C ATOM 1269 CG GLU A 78 -10.820 -17.149 4.437 1.00 1.05 C ATOM 1270 CD GLU A 78 -11.841 -18.282 4.550 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -12.355 -18.483 5.638 1.00 1.04 O ATOM 1272 OE2 GLU A 78 -12.092 -18.929 3.547 1.00 1.45 O ATOM 0 H GLU A 78 -10.003 -15.179 7.305 1.00 0.51 H new ATOM 0 HA GLU A 78 -9.408 -15.102 4.597 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -11.358 -16.299 6.350 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.250 -15.629 4.998 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -10.729 -16.829 3.399 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -9.836 -17.499 4.750 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.704 -12.827 5.269 1.00 0.46 N ATOM 1280 CA GLN A 79 -12.317 -11.645 4.604 1.00 0.45 C ATOM 1281 C GLN A 79 -11.216 -10.654 4.248 1.00 0.40 C ATOM 1282 O GLN A 79 -11.249 -10.016 3.217 1.00 0.41 O ATOM 1283 CB GLN A 79 -13.385 -10.978 5.481 1.00 0.49 C ATOM 1284 CG GLN A 79 -12.939 -10.883 6.922 1.00 0.49 C ATOM 1285 CD GLN A 79 -12.095 -9.635 7.128 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -11.790 -9.260 8.342 1.00 0.47 O flip ATOM 1287 NE2 GLN A 79 -11.714 -8.995 6.172 1.00 0.45 N flip ATOM 0 H GLN A 79 -11.963 -12.978 6.244 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.823 -11.981 3.699 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -13.599 -9.980 5.099 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -14.313 -11.548 5.423 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -13.809 -10.856 7.579 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -12.364 -11.769 7.192 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -11.957 -9.295 5.228 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -11.151 -8.156 6.312 1.00 0.45 H new ATOM 1296 N LYS A 80 -10.230 -10.538 5.088 1.00 0.39 N ATOM 1297 CA LYS A 80 -9.105 -9.601 4.787 1.00 0.38 C ATOM 1298 C LYS A 80 -8.354 -10.117 3.557 1.00 0.39 C ATOM 1299 O LYS A 80 -8.152 -9.408 2.591 1.00 0.40 O ATOM 1300 CB LYS A 80 -8.119 -9.549 5.963 1.00 0.41 C ATOM 1301 CG LYS A 80 -8.726 -8.783 7.136 1.00 0.50 C ATOM 1302 CD LYS A 80 -7.683 -8.653 8.247 1.00 0.51 C ATOM 1303 CE LYS A 80 -8.323 -8.000 9.473 1.00 0.51 C ATOM 1304 NZ LYS A 80 -9.408 -8.878 9.994 1.00 1.03 N ATOM 0 H LYS A 80 -10.150 -11.047 5.968 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.512 -8.605 4.612 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -7.863 -10.561 6.276 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.193 -9.069 5.648 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -9.053 -7.795 6.811 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -9.608 -9.304 7.508 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -7.290 -9.636 8.508 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -6.840 -8.054 7.901 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -7.571 -7.836 10.245 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -8.727 -7.023 9.209 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -9.658 -8.585 10.960 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -10.244 -8.798 9.380 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -9.080 -9.865 10.006 1.00 1.03 H new ATOM 1318 N VAL A 81 -7.930 -11.352 3.602 1.00 0.44 N ATOM 1319 CA VAL A 81 -7.178 -11.941 2.461 1.00 0.47 C ATOM 1320 C VAL A 81 -7.964 -11.759 1.173 1.00 0.45 C ATOM 1321 O VAL A 81 -7.402 -11.709 0.105 1.00 0.46 O ATOM 1322 CB VAL A 81 -6.974 -13.438 2.703 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -6.096 -14.020 1.592 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -6.291 -13.656 4.053 1.00 0.56 C ATOM 0 H VAL A 81 -8.075 -11.983 4.390 1.00 0.44 H new ATOM 0 HA VAL A 81 -6.214 -11.439 2.377 1.00 0.47 H new ATOM 0 HB VAL A 81 -7.944 -13.936 2.704 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -5.951 -15.086 1.764 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -6.583 -13.871 0.628 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -5.129 -13.517 1.592 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -6.148 -14.724 4.220 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -5.323 -13.155 4.056 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -6.914 -13.245 4.847 1.00 0.56 H new ATOM 1334 N LEU A 82 -9.259 -11.685 1.255 1.00 0.44 N ATOM 1335 CA LEU A 82 -10.072 -11.533 0.010 1.00 0.44 C ATOM 1336 C LEU A 82 -10.148 -10.073 -0.404 1.00 0.38 C ATOM 1337 O LEU A 82 -10.053 -9.751 -1.566 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.483 -12.088 0.246 1.00 0.47 C ATOM 1339 CG LEU A 82 -12.159 -12.410 -1.102 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -11.716 -13.790 -1.611 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -13.682 -12.412 -0.924 1.00 0.54 C ATOM 0 H LEU A 82 -9.793 -11.722 2.123 1.00 0.44 H new ATOM 0 HA LEU A 82 -9.593 -12.093 -0.794 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -11.430 -12.988 0.859 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -12.080 -11.361 0.797 1.00 0.47 H new ATOM 0 HG LEU A 82 -11.866 -11.650 -1.827 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -12.203 -14.000 -2.563 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -10.635 -13.798 -1.747 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -11.996 -14.553 -0.884 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -14.159 -12.640 -1.877 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -13.961 -13.167 -0.189 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -14.009 -11.431 -0.579 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.310 -9.185 0.517 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.371 -7.759 0.128 1.00 0.32 C ATOM 1355 C ASN A 83 -9.041 -7.388 -0.532 1.00 0.31 C ATOM 1356 O ASN A 83 -8.977 -6.540 -1.409 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.611 -6.887 1.371 1.00 0.31 C ATOM 1358 CG ASN A 83 -12.065 -7.022 1.816 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -12.958 -7.118 0.997 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.342 -7.031 3.089 1.00 0.36 N ATOM 0 H ASN A 83 -10.403 -9.377 1.514 1.00 0.35 H new ATOM 0 HA ASN A 83 -11.192 -7.591 -0.569 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -9.943 -7.192 2.177 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -10.384 -5.845 1.146 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.310 -7.119 3.400 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -11.591 -6.950 3.775 1.00 0.36 H new ATOM 1367 N VAL A 84 -7.968 -8.041 -0.143 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.647 -7.722 -0.774 1.00 0.37 C ATOM 1369 C VAL A 84 -6.467 -8.560 -2.018 1.00 0.39 C ATOM 1370 O VAL A 84 -5.914 -8.116 -2.986 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.480 -7.981 0.186 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -4.202 -7.408 -0.434 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.758 -7.289 1.530 1.00 0.40 C ATOM 0 H VAL A 84 -7.950 -8.769 0.572 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.645 -6.662 -1.027 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.364 -9.052 0.355 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.361 -7.584 0.237 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -4.011 -7.895 -1.390 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.323 -6.336 -0.591 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.928 -7.473 2.213 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.866 -6.216 1.371 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.677 -7.686 1.961 1.00 0.40 H new ATOM 1383 N SER A 85 -6.931 -9.766 -2.008 1.00 0.41 N ATOM 1384 CA SER A 85 -6.781 -10.608 -3.214 1.00 0.46 C ATOM 1385 C SER A 85 -7.522 -9.921 -4.347 1.00 0.42 C ATOM 1386 O SER A 85 -7.208 -10.066 -5.509 1.00 0.45 O ATOM 1387 CB SER A 85 -7.391 -11.988 -2.967 1.00 0.50 C ATOM 1388 OG SER A 85 -7.133 -12.820 -4.090 1.00 0.53 O ATOM 0 H SER A 85 -7.407 -10.206 -1.220 1.00 0.41 H new ATOM 0 HA SER A 85 -5.727 -10.735 -3.460 1.00 0.46 H new ATOM 0 HB2 SER A 85 -6.966 -12.431 -2.066 1.00 0.50 H new ATOM 0 HB3 SER A 85 -8.465 -11.900 -2.803 1.00 0.50 H new ATOM 0 HG SER A 85 -7.521 -13.707 -3.936 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.515 -9.166 -4.001 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.312 -8.465 -5.034 1.00 0.36 C ATOM 1396 C PHE A 86 -8.546 -7.256 -5.550 1.00 0.34 C ATOM 1397 O PHE A 86 -8.291 -7.119 -6.724 1.00 0.35 O ATOM 1398 CB PHE A 86 -10.635 -8.000 -4.432 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.400 -7.141 -5.423 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.377 -7.434 -6.799 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.156 -6.058 -4.957 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -12.109 -6.649 -7.695 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -12.882 -5.274 -5.861 1.00 0.32 C ATOM 1404 CZ PHE A 86 -12.862 -5.571 -7.226 1.00 0.32 C ATOM 0 H PHE A 86 -8.813 -9.002 -3.039 1.00 0.38 H new ATOM 0 HA PHE A 86 -9.503 -9.151 -5.859 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.237 -8.864 -4.151 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.447 -7.433 -3.520 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -10.793 -8.266 -7.164 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.179 -5.828 -3.902 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -12.092 -6.877 -8.751 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.460 -4.436 -5.502 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.429 -4.967 -7.918 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.167 -6.370 -4.685 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.403 -5.184 -5.162 1.00 0.33 C ATOM 1416 C ALA A 87 -6.189 -5.708 -5.925 1.00 0.38 C ATOM 1417 O ALA A 87 -5.715 -5.118 -6.874 1.00 0.39 O ATOM 1418 CB ALA A 87 -6.943 -4.346 -3.967 1.00 0.35 C ATOM 0 H ALA A 87 -8.347 -6.408 -3.682 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.022 -4.555 -5.801 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.385 -3.480 -4.323 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -7.812 -4.010 -3.402 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.304 -4.950 -3.323 1.00 0.35 H new ATOM 1424 N PHE A 88 -5.720 -6.848 -5.511 1.00 0.41 N ATOM 1425 CA PHE A 88 -4.565 -7.497 -6.157 1.00 0.48 C ATOM 1426 C PHE A 88 -5.024 -8.051 -7.487 1.00 0.48 C ATOM 1427 O PHE A 88 -4.238 -8.305 -8.366 1.00 0.53 O ATOM 1428 CB PHE A 88 -4.104 -8.638 -5.251 1.00 0.52 C ATOM 1429 CG PHE A 88 -3.142 -9.562 -5.970 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -3.623 -10.476 -6.916 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -1.774 -9.521 -5.673 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -2.741 -11.347 -7.563 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -0.891 -10.390 -6.324 1.00 0.73 C ATOM 1434 CZ PHE A 88 -1.375 -11.304 -7.268 1.00 0.74 C ATOM 0 H PHE A 88 -6.108 -7.369 -4.724 1.00 0.41 H new ATOM 0 HA PHE A 88 -3.746 -6.795 -6.315 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -3.622 -8.228 -4.364 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -4.970 -9.206 -4.910 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -4.678 -10.508 -7.146 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -1.401 -8.819 -4.942 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -3.115 -12.053 -8.290 1.00 0.69 H new ATOM 0 HE2 PHE A 88 0.165 -10.356 -6.098 1.00 0.73 H new ATOM 0 HZ PHE A 88 -0.693 -11.976 -7.768 1.00 0.74 H new ATOM 1444 N GLU A 89 -6.298 -8.281 -7.629 1.00 0.44 N ATOM 1445 CA GLU A 89 -6.798 -8.850 -8.911 1.00 0.46 C ATOM 1446 C GLU A 89 -6.929 -7.721 -9.935 1.00 0.43 C ATOM 1447 O GLU A 89 -6.489 -7.840 -11.066 1.00 0.47 O ATOM 1448 CB GLU A 89 -8.155 -9.535 -8.659 1.00 0.46 C ATOM 1449 CG GLU A 89 -7.930 -11.002 -8.276 1.00 0.51 C ATOM 1450 CD GLU A 89 -7.687 -11.838 -9.536 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -8.542 -11.824 -10.406 1.00 0.60 O ATOM 1452 OE2 GLU A 89 -6.651 -12.477 -9.607 1.00 0.63 O ATOM 0 H GLU A 89 -7.010 -8.102 -6.921 1.00 0.44 H new ATOM 0 HA GLU A 89 -6.104 -9.594 -9.302 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -8.691 -9.019 -7.862 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -8.776 -9.474 -9.553 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -7.076 -11.085 -7.604 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -8.797 -11.384 -7.737 1.00 0.51 H new ATOM 1459 N LEU A 90 -7.494 -6.614 -9.547 1.00 0.38 N ATOM 1460 CA LEU A 90 -7.614 -5.485 -10.503 1.00 0.37 C ATOM 1461 C LEU A 90 -6.222 -4.906 -10.718 1.00 0.41 C ATOM 1462 O LEU A 90 -5.969 -4.203 -11.676 1.00 0.42 O ATOM 1463 CB LEU A 90 -8.551 -4.407 -9.929 1.00 0.34 C ATOM 1464 CG LEU A 90 -10.020 -4.755 -10.240 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -10.935 -4.019 -9.259 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -10.383 -4.325 -11.670 1.00 0.36 C ATOM 0 H LEU A 90 -7.875 -6.444 -8.616 1.00 0.38 H new ATOM 0 HA LEU A 90 -8.031 -5.830 -11.449 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -8.409 -4.328 -8.851 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -8.302 -3.435 -10.355 1.00 0.34 H new ATOM 0 HG LEU A 90 -10.150 -5.833 -10.144 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -11.974 -4.264 -9.477 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -10.697 -4.324 -8.240 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -10.787 -2.944 -9.360 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -11.424 -4.578 -11.873 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -10.245 -3.249 -11.772 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -9.738 -4.843 -12.380 1.00 0.36 H new ATOM 1478 N MET A 91 -5.309 -5.212 -9.838 1.00 0.43 N ATOM 1479 CA MET A 91 -3.922 -4.687 -10.003 1.00 0.49 C ATOM 1480 C MET A 91 -3.168 -5.626 -10.931 1.00 0.54 C ATOM 1481 O MET A 91 -2.546 -5.209 -11.887 1.00 0.58 O ATOM 1482 CB MET A 91 -3.228 -4.624 -8.644 1.00 0.52 C ATOM 1483 CG MET A 91 -3.719 -3.400 -7.863 1.00 0.48 C ATOM 1484 SD MET A 91 -3.365 -3.629 -6.103 1.00 0.55 S ATOM 1485 CE MET A 91 -3.265 -1.878 -5.657 1.00 0.60 C ATOM 0 H MET A 91 -5.460 -5.798 -9.017 1.00 0.43 H new ATOM 0 HA MET A 91 -3.945 -3.682 -10.425 1.00 0.49 H new ATOM 0 HB2 MET A 91 -3.433 -5.533 -8.079 1.00 0.52 H new ATOM 0 HB3 MET A 91 -2.148 -4.570 -8.780 1.00 0.52 H new ATOM 0 HG2 MET A 91 -3.227 -2.499 -8.230 1.00 0.48 H new ATOM 0 HG3 MET A 91 -4.790 -3.263 -8.015 1.00 0.48 H new ATOM 0 HE1 MET A 91 -3.050 -1.785 -4.593 1.00 0.60 H new ATOM 0 HE2 MET A 91 -2.470 -1.401 -6.231 1.00 0.60 H new ATOM 0 HE3 MET A 91 -4.215 -1.391 -5.879 1.00 0.60 H new ATOM 1495 N GLN A 92 -3.244 -6.900 -10.672 1.00 0.56 N ATOM 1496 CA GLN A 92 -2.559 -7.877 -11.556 1.00 0.62 C ATOM 1497 C GLN A 92 -3.009 -7.595 -12.986 1.00 0.61 C ATOM 1498 O GLN A 92 -2.289 -7.824 -13.937 1.00 0.69 O ATOM 1499 CB GLN A 92 -2.956 -9.302 -11.148 1.00 0.64 C ATOM 1500 CG GLN A 92 -2.473 -10.312 -12.197 1.00 0.66 C ATOM 1501 CD GLN A 92 -0.985 -10.096 -12.481 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -0.191 -9.985 -11.569 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -0.572 -10.032 -13.717 1.00 0.67 N ATOM 0 H GLN A 92 -3.751 -7.306 -9.886 1.00 0.56 H new ATOM 0 HA GLN A 92 -1.476 -7.785 -11.475 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -2.525 -9.543 -10.176 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -4.039 -9.368 -11.041 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -2.640 -11.328 -11.840 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -3.048 -10.198 -13.116 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -1.239 -10.125 -14.483 1.00 0.67 H new ATOM 0 HE22 GLN A 92 0.418 -9.889 -13.917 1.00 0.67 H new ATOM 1512 N ASP A 93 -4.203 -7.076 -13.137 1.00 0.54 N ATOM 1513 CA ASP A 93 -4.714 -6.750 -14.498 1.00 0.54 C ATOM 1514 C ASP A 93 -4.324 -5.312 -14.825 1.00 0.55 C ATOM 1515 O ASP A 93 -3.696 -5.032 -15.827 1.00 0.62 O ATOM 1516 CB ASP A 93 -6.249 -6.897 -14.502 1.00 0.50 C ATOM 1517 CG ASP A 93 -6.732 -7.414 -15.863 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -6.484 -8.572 -16.157 1.00 0.75 O ATOM 1519 OD2 ASP A 93 -7.340 -6.642 -16.586 1.00 0.80 O ATOM 0 H ASP A 93 -4.845 -6.865 -12.373 1.00 0.54 H new ATOM 0 HA ASP A 93 -4.289 -7.423 -15.243 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -6.557 -7.585 -13.714 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -6.714 -5.935 -14.285 1.00 0.50 H new ATOM 1524 N GLY A 94 -4.692 -4.404 -13.974 1.00 0.54 N ATOM 1525 CA GLY A 94 -4.347 -2.976 -14.210 1.00 0.61 C ATOM 1526 C GLY A 94 -2.826 -2.823 -14.295 1.00 0.73 C ATOM 1527 O GLY A 94 -2.319 -1.734 -14.474 1.00 0.82 O ATOM 0 H GLY A 94 -5.219 -4.587 -13.120 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -4.810 -2.627 -15.133 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -4.740 -2.358 -13.403 1.00 0.61 H new ATOM 1531 N GLY A 95 -2.090 -3.909 -14.173 1.00 0.80 N ATOM 1532 CA GLY A 95 -0.591 -3.829 -14.252 1.00 0.94 C ATOM 1533 C GLY A 95 0.035 -4.520 -13.036 1.00 0.92 C ATOM 1534 O GLY A 95 -0.143 -5.703 -12.827 1.00 0.91 O ATOM 0 H GLY A 95 -2.463 -4.846 -14.022 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -0.241 -4.302 -15.170 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -0.276 -2.786 -14.291 1.00 0.94 H new ATOM 1538 N LEU A 96 0.767 -3.786 -12.232 1.00 0.92 N ATOM 1539 CA LEU A 96 1.409 -4.386 -11.025 1.00 0.91 C ATOM 1540 C LEU A 96 2.597 -5.253 -11.453 1.00 0.94 C ATOM 1541 O LEU A 96 3.564 -5.404 -10.735 1.00 0.95 O ATOM 1542 CB LEU A 96 0.363 -5.229 -10.279 1.00 0.89 C ATOM 1543 CG LEU A 96 0.609 -5.202 -8.756 1.00 0.87 C ATOM 1544 CD1 LEU A 96 2.033 -5.689 -8.452 1.00 0.93 C ATOM 1545 CD2 LEU A 96 0.408 -3.773 -8.196 1.00 0.86 C ATOM 0 H LEU A 96 0.947 -2.791 -12.363 1.00 0.92 H new ATOM 0 HA LEU A 96 1.777 -3.602 -10.363 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -0.636 -4.850 -10.496 1.00 0.89 H new ATOM 0 HB3 LEU A 96 0.398 -6.258 -10.638 1.00 0.89 H new ATOM 0 HG LEU A 96 -0.110 -5.865 -8.275 1.00 0.87 H new ATOM 0 HD11 LEU A 96 2.203 -5.668 -7.375 1.00 0.93 H new ATOM 0 HD12 LEU A 96 2.155 -6.708 -8.819 1.00 0.93 H new ATOM 0 HD13 LEU A 96 2.754 -5.037 -8.945 1.00 0.93 H new ATOM 0 HD21 LEU A 96 0.586 -3.775 -7.121 1.00 0.86 H new ATOM 0 HD22 LEU A 96 1.109 -3.091 -8.678 1.00 0.86 H new ATOM 0 HD23 LEU A 96 -0.612 -3.445 -8.394 1.00 0.86 H new ATOM 1557 N GLU A 97 2.520 -5.810 -12.623 1.00 0.96 N ATOM 1558 CA GLU A 97 3.626 -6.666 -13.141 1.00 1.00 C ATOM 1559 C GLU A 97 3.876 -7.850 -12.203 1.00 0.99 C ATOM 1560 O GLU A 97 3.765 -7.737 -10.999 1.00 0.99 O ATOM 1561 CB GLU A 97 4.908 -5.837 -13.281 1.00 1.05 C ATOM 1562 CG GLU A 97 4.621 -4.563 -14.093 1.00 1.13 C ATOM 1563 CD GLU A 97 4.030 -3.483 -13.183 1.00 1.25 C ATOM 1564 OE1 GLU A 97 4.613 -3.228 -12.142 1.00 1.27 O ATOM 1565 OE2 GLU A 97 3.003 -2.930 -13.542 1.00 1.37 O ATOM 0 H GLU A 97 1.726 -5.709 -13.256 1.00 0.96 H new ATOM 0 HA GLU A 97 3.336 -7.050 -14.119 1.00 1.00 H new ATOM 0 HB2 GLU A 97 5.290 -5.572 -12.295 1.00 1.05 H new ATOM 0 HB3 GLU A 97 5.681 -6.427 -13.774 1.00 1.05 H new ATOM 0 HG2 GLU A 97 5.540 -4.200 -14.552 1.00 1.13 H new ATOM 0 HG3 GLU A 97 3.927 -4.787 -14.903 1.00 1.13 H new ATOM 1572 N LYS A 98 4.216 -8.979 -12.784 1.00 1.02 N ATOM 1573 CA LYS A 98 4.501 -10.247 -12.023 1.00 1.01 C ATOM 1574 C LYS A 98 4.790 -9.989 -10.526 1.00 1.00 C ATOM 1575 O LYS A 98 5.939 -9.871 -10.146 1.00 1.04 O ATOM 1576 CB LYS A 98 5.733 -10.910 -12.657 1.00 1.08 C ATOM 1577 CG LYS A 98 6.761 -9.832 -13.011 1.00 1.09 C ATOM 1578 CD LYS A 98 8.102 -10.487 -13.347 1.00 1.13 C ATOM 1579 CE LYS A 98 9.017 -9.458 -14.014 1.00 1.16 C ATOM 1580 NZ LYS A 98 10.403 -9.999 -14.093 1.00 1.18 N ATOM 0 H LYS A 98 4.312 -9.079 -13.795 1.00 1.02 H new ATOM 0 HA LYS A 98 3.618 -10.884 -12.078 1.00 1.01 H new ATOM 0 HB2 LYS A 98 6.169 -11.631 -11.965 1.00 1.08 H new ATOM 0 HB3 LYS A 98 5.444 -11.461 -13.552 1.00 1.08 H new ATOM 0 HG2 LYS A 98 6.409 -9.246 -13.860 1.00 1.09 H new ATOM 0 HG3 LYS A 98 6.882 -9.143 -12.175 1.00 1.09 H new ATOM 0 HD2 LYS A 98 8.569 -10.871 -12.440 1.00 1.13 H new ATOM 0 HD3 LYS A 98 7.948 -11.337 -14.011 1.00 1.13 H new ATOM 0 HE2 LYS A 98 8.650 -9.223 -15.013 1.00 1.16 H new ATOM 0 HE3 LYS A 98 9.011 -8.528 -13.446 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 11.024 -9.299 -14.547 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 10.752 -10.201 -13.134 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 10.402 -10.875 -14.653 1.00 1.18 H new ATOM 1594 N PRO A 99 3.755 -9.928 -9.707 1.00 0.93 N ATOM 1595 CA PRO A 99 3.938 -9.708 -8.258 1.00 0.91 C ATOM 1596 C PRO A 99 4.664 -10.924 -7.661 1.00 0.98 C ATOM 1597 O PRO A 99 4.751 -11.961 -8.290 1.00 1.02 O ATOM 1598 CB PRO A 99 2.507 -9.560 -7.692 1.00 0.84 C ATOM 1599 CG PRO A 99 1.518 -9.685 -8.890 1.00 0.82 C ATOM 1600 CD PRO A 99 2.347 -10.064 -10.137 1.00 0.88 C ATOM 0 HA PRO A 99 4.539 -8.829 -8.022 1.00 0.91 H new ATOM 0 HB2 PRO A 99 2.307 -10.330 -6.947 1.00 0.84 H new ATOM 0 HB3 PRO A 99 2.388 -8.597 -7.195 1.00 0.84 H new ATOM 0 HG2 PRO A 99 0.763 -10.444 -8.686 1.00 0.82 H new ATOM 0 HG3 PRO A 99 0.990 -8.745 -9.051 1.00 0.82 H new ATOM 0 HD2 PRO A 99 2.129 -11.081 -10.463 1.00 0.88 H new ATOM 0 HD3 PRO A 99 2.124 -9.405 -10.976 1.00 0.88 H new ATOM 1608 N LYS A 100 5.208 -10.799 -6.469 1.00 0.98 N ATOM 1609 CA LYS A 100 5.957 -11.947 -5.848 1.00 1.05 C ATOM 1610 C LYS A 100 5.344 -12.406 -4.503 1.00 1.02 C ATOM 1611 O LYS A 100 5.390 -13.585 -4.212 1.00 1.04 O ATOM 1612 CB LYS A 100 7.423 -11.534 -5.628 1.00 1.11 C ATOM 1613 CG LYS A 100 8.276 -12.769 -5.267 1.00 1.18 C ATOM 1614 CD LYS A 100 9.511 -12.354 -4.449 1.00 1.25 C ATOM 1615 CE LYS A 100 9.091 -11.767 -3.083 1.00 1.22 C ATOM 1616 NZ LYS A 100 7.755 -12.293 -2.681 1.00 1.30 N ATOM 0 H LYS A 100 5.166 -9.954 -5.900 1.00 0.98 H new ATOM 0 HA LYS A 100 5.889 -12.790 -6.536 1.00 1.05 H new ATOM 0 HB2 LYS A 100 7.815 -11.063 -6.529 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.484 -10.795 -4.830 1.00 1.11 H new ATOM 0 HG2 LYS A 100 7.676 -13.478 -4.696 1.00 1.18 H new ATOM 0 HG3 LYS A 100 8.591 -13.279 -6.177 1.00 1.18 H new ATOM 0 HD2 LYS A 100 10.158 -13.217 -4.296 1.00 1.25 H new ATOM 0 HD3 LYS A 100 10.090 -11.616 -5.005 1.00 1.25 H new ATOM 0 HE2 LYS A 100 9.833 -12.023 -2.326 1.00 1.22 H new ATOM 0 HE3 LYS A 100 9.058 -10.679 -3.142 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 7.709 -12.368 -1.645 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 7.012 -11.646 -3.015 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 7.611 -13.233 -3.103 1.00 1.30 H new ATOM 1630 N PRO A 101 4.816 -11.506 -3.693 1.00 0.97 N ATOM 1631 CA PRO A 101 4.257 -11.899 -2.387 1.00 0.95 C ATOM 1632 C PRO A 101 2.809 -12.376 -2.583 1.00 0.89 C ATOM 1633 O PRO A 101 2.387 -12.607 -3.699 1.00 0.89 O ATOM 1634 CB PRO A 101 4.353 -10.605 -1.574 1.00 0.92 C ATOM 1635 CG PRO A 101 4.342 -9.448 -2.586 1.00 0.92 C ATOM 1636 CD PRO A 101 4.713 -10.053 -3.964 1.00 0.95 C ATOM 0 HA PRO A 101 4.771 -12.722 -1.891 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.517 -10.521 -0.880 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.265 -10.589 -0.977 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.360 -8.976 -2.623 1.00 0.92 H new ATOM 0 HG3 PRO A 101 5.056 -8.676 -2.298 1.00 0.92 H new ATOM 0 HD2 PRO A 101 3.951 -9.838 -4.714 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.653 -9.648 -4.339 1.00 0.95 H new ATOM 1644 N ARG A 102 2.052 -12.562 -1.521 1.00 0.84 N ATOM 1645 CA ARG A 102 0.644 -13.065 -1.664 1.00 0.79 C ATOM 1646 C ARG A 102 -0.345 -12.144 -0.908 1.00 0.71 C ATOM 1647 O ARG A 102 0.041 -11.513 0.054 1.00 0.71 O ATOM 1648 CB ARG A 102 0.597 -14.473 -1.068 1.00 0.83 C ATOM 1649 CG ARG A 102 1.144 -15.482 -2.104 1.00 0.92 C ATOM 1650 CD ARG A 102 0.001 -16.141 -2.889 1.00 0.96 C ATOM 1651 NE ARG A 102 0.550 -17.242 -3.728 1.00 1.05 N ATOM 1652 CZ ARG A 102 -0.250 -18.141 -4.231 1.00 1.11 C ATOM 1653 NH1 ARG A 102 -1.531 -18.082 -3.990 1.00 1.09 N ATOM 1654 NH2 ARG A 102 0.231 -19.101 -4.972 1.00 1.18 N ATOM 0 H ARG A 102 2.350 -12.387 -0.561 1.00 0.84 H new ATOM 0 HA ARG A 102 0.355 -13.075 -2.715 1.00 0.79 H new ATOM 0 HB2 ARG A 102 1.190 -14.514 -0.154 1.00 0.83 H new ATOM 0 HB3 ARG A 102 -0.426 -14.732 -0.796 1.00 0.83 H new ATOM 0 HG2 ARG A 102 1.816 -14.972 -2.794 1.00 0.92 H new ATOM 0 HG3 ARG A 102 1.730 -16.248 -1.596 1.00 0.92 H new ATOM 0 HD2 ARG A 102 -0.749 -16.532 -2.202 1.00 0.96 H new ATOM 0 HD3 ARG A 102 -0.496 -15.403 -3.518 1.00 0.96 H new ATOM 0 HE ARG A 102 1.552 -17.293 -3.909 1.00 1.05 H new ATOM 0 HH11 ARG A 102 -1.907 -17.333 -3.408 1.00 1.09 H new ATOM 0 HH12 ARG A 102 -2.157 -18.785 -4.383 1.00 1.09 H new ATOM 0 HH21 ARG A 102 1.233 -19.149 -5.158 1.00 1.18 H new ATOM 0 HH22 ARG A 102 -0.395 -19.804 -5.365 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.603 -12.113 -1.338 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.646 -11.296 -0.675 1.00 0.59 C ATOM 1670 C PRO A 103 -2.529 -11.431 0.843 1.00 0.59 C ATOM 1671 O PRO A 103 -2.962 -10.578 1.592 1.00 0.55 O ATOM 1672 CB PRO A 103 -3.969 -11.883 -1.196 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.624 -12.677 -2.482 1.00 0.61 C ATOM 1674 CD PRO A 103 -2.093 -12.880 -2.499 1.00 0.67 C ATOM 0 HA PRO A 103 -2.563 -10.231 -0.891 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.425 -12.533 -0.450 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.687 -11.091 -1.410 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -4.139 -13.638 -2.490 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -3.949 -12.133 -3.369 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -1.832 -13.935 -2.416 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.655 -12.516 -3.428 1.00 0.67 H new ATOM 1682 N GLU A 104 -1.937 -12.498 1.298 1.00 0.64 N ATOM 1683 CA GLU A 104 -1.777 -12.697 2.760 1.00 0.65 C ATOM 1684 C GLU A 104 -0.556 -11.919 3.226 1.00 0.67 C ATOM 1685 O GLU A 104 -0.639 -11.082 4.098 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.580 -14.186 3.055 1.00 0.71 C ATOM 1687 CG GLU A 104 -2.744 -14.983 2.464 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.479 -16.479 2.638 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -1.677 -17.010 1.888 1.00 0.81 O ATOM 1690 OE2 GLU A 104 -3.082 -17.069 3.520 1.00 0.82 O ATOM 0 H GLU A 104 -1.556 -13.244 0.716 1.00 0.64 H new ATOM 0 HA GLU A 104 -2.665 -12.344 3.284 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -0.637 -14.530 2.630 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.523 -14.350 4.131 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.675 -14.708 2.959 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -2.862 -14.744 1.407 1.00 0.71 H new ATOM 1697 N ASP A 105 0.571 -12.185 2.623 1.00 0.73 N ATOM 1698 CA ASP A 105 1.835 -11.484 2.989 1.00 0.78 C ATOM 1699 C ASP A 105 1.551 -10.001 3.238 1.00 0.73 C ATOM 1700 O ASP A 105 2.249 -9.331 3.971 1.00 0.77 O ATOM 1701 CB ASP A 105 2.805 -11.630 1.814 1.00 0.83 C ATOM 1702 CG ASP A 105 2.795 -13.077 1.319 1.00 0.88 C ATOM 1703 OD1 ASP A 105 2.146 -13.895 1.951 1.00 0.94 O ATOM 1704 OD2 ASP A 105 3.437 -13.344 0.317 1.00 0.86 O ATOM 0 H ASP A 105 0.670 -12.873 1.877 1.00 0.73 H new ATOM 0 HA ASP A 105 2.261 -11.914 3.895 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.518 -10.957 1.006 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.811 -11.347 2.123 1.00 0.83 H new ATOM 1709 N ILE A 106 0.501 -9.506 2.652 1.00 0.67 N ATOM 1710 CA ILE A 106 0.112 -8.076 2.863 1.00 0.64 C ATOM 1711 C ILE A 106 -0.767 -8.027 4.115 1.00 0.59 C ATOM 1712 O ILE A 106 -0.365 -7.529 5.148 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.659 -7.518 1.628 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.483 -8.434 0.407 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.145 -6.119 1.259 1.00 0.62 C ATOM 1716 CD1 ILE A 106 0.986 -8.455 -0.040 1.00 0.72 C ATOM 0 H ILE A 106 -0.114 -10.031 2.029 1.00 0.67 H new ATOM 0 HA ILE A 106 0.999 -7.456 2.989 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.714 -7.470 1.899 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -0.809 -9.445 0.653 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -1.114 -8.085 -0.411 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -0.695 -5.746 0.395 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.291 -5.444 2.102 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.917 -6.173 1.018 1.00 0.62 H new ATOM 0 HD11 ILE A 106 1.094 -9.108 -0.906 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.300 -7.446 -0.306 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.609 -8.826 0.774 1.00 0.72 H new ATOM 1728 N VAL A 107 -1.961 -8.572 4.031 1.00 0.54 N ATOM 1729 CA VAL A 107 -2.868 -8.596 5.221 1.00 0.51 C ATOM 1730 C VAL A 107 -2.052 -9.035 6.438 1.00 0.53 C ATOM 1731 O VAL A 107 -2.282 -8.612 7.554 1.00 0.50 O ATOM 1732 CB VAL A 107 -3.964 -9.652 4.974 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.735 -9.984 6.267 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -4.936 -9.148 3.915 1.00 0.46 C ATOM 0 H VAL A 107 -2.344 -9.001 3.188 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.309 -7.613 5.385 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.477 -10.564 4.628 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.499 -10.732 6.053 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -4.043 -10.375 7.013 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -5.209 -9.080 6.650 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.709 -9.898 3.744 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.398 -8.222 4.257 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.398 -8.963 2.985 1.00 0.46 H new ATOM 1744 N ASN A 108 -1.114 -9.911 6.212 1.00 0.59 N ATOM 1745 CA ASN A 108 -0.273 -10.438 7.320 1.00 0.63 C ATOM 1746 C ASN A 108 0.465 -9.293 8.027 1.00 0.63 C ATOM 1747 O ASN A 108 1.335 -9.521 8.843 1.00 0.66 O ATOM 1748 CB ASN A 108 0.753 -11.419 6.725 1.00 0.69 C ATOM 1749 CG ASN A 108 1.220 -12.402 7.803 1.00 1.07 C ATOM 1750 OD1 ASN A 108 2.403 -12.624 7.969 1.00 1.33 O ATOM 1751 ND2 ASN A 108 0.334 -13.004 8.547 1.00 1.35 N ATOM 0 H ASN A 108 -0.892 -10.290 5.291 1.00 0.59 H new ATOM 0 HA ASN A 108 -0.906 -10.942 8.050 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.308 -11.963 5.892 1.00 0.69 H new ATOM 0 HB3 ASN A 108 1.606 -10.870 6.327 1.00 0.69 H new ATOM 0 HD21 ASN A 108 0.634 -13.661 9.268 1.00 1.35 H new ATOM 0 HD22 ASN A 108 -0.659 -12.818 8.408 1.00 1.35 H new ATOM 1758 N CYS A 109 0.126 -8.068 7.729 1.00 0.61 N ATOM 1759 CA CYS A 109 0.808 -6.922 8.392 1.00 0.63 C ATOM 1760 C CYS A 109 2.324 -7.052 8.223 1.00 0.70 C ATOM 1761 O CYS A 109 3.076 -6.233 8.713 1.00 0.85 O ATOM 1762 CB CYS A 109 0.462 -6.914 9.883 1.00 0.62 C ATOM 1763 SG CYS A 109 1.151 -5.428 10.652 1.00 0.66 S ATOM 0 H CYS A 109 -0.595 -7.812 7.054 1.00 0.61 H new ATOM 0 HA CYS A 109 0.472 -5.992 7.934 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -0.620 -6.938 10.017 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.863 -7.806 10.365 1.00 0.62 H new ATOM 0 HG CYS A 109 2.262 -5.107 10.058 1.00 0.66 H new ATOM 1769 N ASP A 110 2.791 -8.061 7.532 1.00 0.72 N ATOM 1770 CA ASP A 110 4.252 -8.194 7.353 1.00 0.79 C ATOM 1771 C ASP A 110 4.753 -6.960 6.637 1.00 0.81 C ATOM 1772 O ASP A 110 4.013 -6.247 5.989 1.00 0.80 O ATOM 1773 CB ASP A 110 4.601 -9.429 6.526 1.00 0.84 C ATOM 1774 CG ASP A 110 4.035 -10.677 7.202 1.00 0.85 C ATOM 1775 OD1 ASP A 110 3.520 -10.549 8.301 1.00 0.88 O ATOM 1776 OD2 ASP A 110 4.127 -11.740 6.611 1.00 0.98 O ATOM 0 H ASP A 110 2.225 -8.786 7.092 1.00 0.72 H new ATOM 0 HA ASP A 110 4.721 -8.300 8.331 1.00 0.79 H new ATOM 0 HB2 ASP A 110 4.193 -9.332 5.520 1.00 0.84 H new ATOM 0 HB3 ASP A 110 5.683 -9.517 6.425 1.00 0.84 H new ATOM 1781 N LEU A 111 6.007 -6.711 6.754 1.00 0.89 N ATOM 1782 CA LEU A 111 6.615 -5.535 6.100 1.00 0.93 C ATOM 1783 C LEU A 111 7.266 -5.984 4.800 1.00 0.97 C ATOM 1784 O LEU A 111 6.946 -5.525 3.743 1.00 0.96 O ATOM 1785 CB LEU A 111 7.677 -4.954 7.042 1.00 1.02 C ATOM 1786 CG LEU A 111 7.009 -4.076 8.106 1.00 1.06 C ATOM 1787 CD1 LEU A 111 5.995 -4.905 8.901 1.00 1.09 C ATOM 1788 CD2 LEU A 111 8.081 -3.527 9.052 1.00 1.12 C ATOM 0 H LEU A 111 6.659 -7.285 7.289 1.00 0.89 H new ATOM 0 HA LEU A 111 5.862 -4.777 5.884 1.00 0.93 H new ATOM 0 HB2 LEU A 111 8.232 -5.761 7.520 1.00 1.02 H new ATOM 0 HB3 LEU A 111 8.397 -4.366 6.473 1.00 1.02 H new ATOM 0 HG LEU A 111 6.490 -3.249 7.622 1.00 1.06 H new ATOM 0 HD11 LEU A 111 5.523 -4.276 9.656 1.00 1.09 H new ATOM 0 HD12 LEU A 111 5.233 -5.294 8.225 1.00 1.09 H new ATOM 0 HD13 LEU A 111 6.506 -5.735 9.388 1.00 1.09 H new ATOM 0 HD21 LEU A 111 7.611 -2.902 9.811 1.00 1.12 H new ATOM 0 HD22 LEU A 111 8.599 -4.356 9.535 1.00 1.12 H new ATOM 0 HD23 LEU A 111 8.797 -2.932 8.485 1.00 1.12 H new ATOM 1800 N LYS A 112 8.197 -6.872 4.907 1.00 1.00 N ATOM 1801 CA LYS A 112 8.956 -7.380 3.728 1.00 1.04 C ATOM 1802 C LYS A 112 8.152 -7.388 2.423 1.00 1.02 C ATOM 1803 O LYS A 112 8.352 -6.584 1.528 1.00 1.04 O ATOM 1804 CB LYS A 112 9.346 -8.820 4.058 1.00 1.06 C ATOM 1805 CG LYS A 112 10.209 -9.410 2.929 1.00 1.12 C ATOM 1806 CD LYS A 112 11.192 -10.439 3.501 1.00 1.15 C ATOM 1807 CE LYS A 112 11.745 -11.309 2.369 1.00 1.20 C ATOM 1808 NZ LYS A 112 10.640 -12.116 1.777 1.00 1.17 N ATOM 0 H LYS A 112 8.480 -7.288 5.794 1.00 1.00 H new ATOM 0 HA LYS A 112 9.805 -6.718 3.559 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.896 -8.849 4.999 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.450 -9.425 4.194 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.571 -9.881 2.181 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.756 -8.614 2.425 1.00 1.12 H new ATOM 0 HD2 LYS A 112 12.008 -9.930 4.014 1.00 1.15 H new ATOM 0 HD3 LYS A 112 10.691 -11.063 4.241 1.00 1.15 H new ATOM 0 HE2 LYS A 112 12.202 -10.682 1.604 1.00 1.20 H new ATOM 0 HE3 LYS A 112 12.526 -11.967 2.750 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 11.024 -13.005 1.398 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 9.934 -12.328 2.510 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 10.190 -11.578 1.009 1.00 1.17 H new ATOM 1822 N SER A 113 7.280 -8.315 2.295 1.00 0.98 N ATOM 1823 CA SER A 113 6.482 -8.435 1.054 1.00 0.96 C ATOM 1824 C SER A 113 5.715 -7.136 0.775 1.00 0.92 C ATOM 1825 O SER A 113 5.867 -6.497 -0.249 1.00 0.94 O ATOM 1826 CB SER A 113 5.484 -9.552 1.313 1.00 0.92 C ATOM 1827 OG SER A 113 5.216 -9.610 2.708 1.00 0.90 O ATOM 0 H SER A 113 7.074 -9.015 3.007 1.00 0.98 H new ATOM 0 HA SER A 113 7.123 -8.635 0.195 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.563 -9.372 0.759 1.00 0.92 H new ATOM 0 HB3 SER A 113 5.884 -10.504 0.965 1.00 0.92 H new ATOM 0 HG SER A 113 5.524 -10.469 3.065 1.00 0.90 H new ATOM 1833 N THR A 114 4.883 -6.779 1.695 1.00 0.88 N ATOM 1834 CA THR A 114 4.043 -5.554 1.574 1.00 0.85 C ATOM 1835 C THR A 114 4.876 -4.407 0.986 1.00 0.89 C ATOM 1836 O THR A 114 4.404 -3.625 0.192 1.00 0.89 O ATOM 1837 CB THR A 114 3.489 -5.212 2.986 1.00 0.81 C ATOM 1838 OG1 THR A 114 2.079 -5.063 2.910 1.00 0.76 O ATOM 1839 CG2 THR A 114 4.095 -3.920 3.555 1.00 0.84 C ATOM 0 H THR A 114 4.740 -7.299 2.560 1.00 0.88 H new ATOM 0 HA THR A 114 3.205 -5.716 0.897 1.00 0.85 H new ATOM 0 HB THR A 114 3.762 -6.030 3.652 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.724 -4.849 3.798 1.00 0.76 H new ATOM 0 HG21 THR A 114 3.676 -3.725 4.542 1.00 0.84 H new ATOM 0 HG22 THR A 114 5.176 -4.030 3.635 1.00 0.84 H new ATOM 0 HG23 THR A 114 3.863 -3.087 2.892 1.00 0.84 H new ATOM 1847 N LEU A 115 6.103 -4.313 1.385 1.00 0.95 N ATOM 1848 CA LEU A 115 6.986 -3.235 0.887 1.00 1.00 C ATOM 1849 C LEU A 115 7.206 -3.423 -0.604 1.00 1.02 C ATOM 1850 O LEU A 115 7.138 -2.483 -1.363 1.00 1.02 O ATOM 1851 CB LEU A 115 8.339 -3.312 1.616 1.00 1.06 C ATOM 1852 CG LEU A 115 8.294 -2.515 2.936 1.00 1.04 C ATOM 1853 CD1 LEU A 115 9.288 -3.125 3.928 1.00 1.09 C ATOM 1854 CD2 LEU A 115 8.676 -1.049 2.674 1.00 1.06 C ATOM 0 H LEU A 115 6.542 -4.951 2.049 1.00 0.95 H new ATOM 0 HA LEU A 115 6.526 -2.264 1.071 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.588 -4.353 1.822 1.00 1.06 H new ATOM 0 HB3 LEU A 115 9.127 -2.917 0.974 1.00 1.06 H new ATOM 0 HG LEU A 115 7.286 -2.557 3.348 1.00 1.04 H new ATOM 0 HD11 LEU A 115 9.260 -2.565 4.863 1.00 1.09 H new ATOM 0 HD12 LEU A 115 9.020 -4.164 4.119 1.00 1.09 H new ATOM 0 HD13 LEU A 115 10.293 -3.081 3.509 1.00 1.09 H new ATOM 0 HD21 LEU A 115 8.642 -0.491 3.610 1.00 1.06 H new ATOM 0 HD22 LEU A 115 9.684 -1.004 2.261 1.00 1.06 H new ATOM 0 HD23 LEU A 115 7.973 -0.611 1.965 1.00 1.06 H new ATOM 1866 N ARG A 116 7.485 -4.618 -1.043 1.00 1.03 N ATOM 1867 CA ARG A 116 7.719 -4.786 -2.505 1.00 1.05 C ATOM 1868 C ARG A 116 6.483 -4.306 -3.292 1.00 1.01 C ATOM 1869 O ARG A 116 6.597 -3.555 -4.240 1.00 1.04 O ATOM 1870 CB ARG A 116 8.020 -6.266 -2.785 1.00 1.04 C ATOM 1871 CG ARG A 116 9.534 -6.485 -3.012 1.00 1.10 C ATOM 1872 CD ARG A 116 10.309 -6.180 -1.727 1.00 1.10 C ATOM 1873 NE ARG A 116 10.488 -4.706 -1.592 1.00 1.16 N ATOM 1874 CZ ARG A 116 10.886 -4.191 -0.461 1.00 1.17 C ATOM 1875 NH1 ARG A 116 11.090 -4.960 0.573 1.00 1.13 N ATOM 1876 NH2 ARG A 116 11.082 -2.903 -0.366 1.00 1.23 N ATOM 0 H ARG A 116 7.560 -5.462 -0.475 1.00 1.03 H new ATOM 0 HA ARG A 116 8.569 -4.185 -2.827 1.00 1.05 H new ATOM 0 HB2 ARG A 116 7.681 -6.875 -1.947 1.00 1.04 H new ATOM 0 HB3 ARG A 116 7.465 -6.595 -3.663 1.00 1.04 H new ATOM 0 HG2 ARG A 116 9.718 -7.514 -3.321 1.00 1.10 H new ATOM 0 HG3 ARG A 116 9.885 -5.842 -3.819 1.00 1.10 H new ATOM 0 HD2 ARG A 116 9.771 -6.572 -0.864 1.00 1.10 H new ATOM 0 HD3 ARG A 116 11.280 -6.674 -1.749 1.00 1.10 H new ATOM 0 HE ARG A 116 10.298 -4.097 -2.388 1.00 1.16 H new ATOM 0 HH11 ARG A 116 10.938 -5.966 0.498 1.00 1.13 H new ATOM 0 HH12 ARG A 116 11.401 -4.555 1.456 1.00 1.13 H new ATOM 0 HH21 ARG A 116 10.924 -2.302 -1.175 1.00 1.23 H new ATOM 0 HH22 ARG A 116 11.393 -2.498 0.517 1.00 1.23 H new ATOM 1890 N VAL A 117 5.314 -4.736 -2.914 1.00 0.95 N ATOM 1891 CA VAL A 117 4.080 -4.312 -3.643 1.00 0.91 C ATOM 1892 C VAL A 117 3.893 -2.800 -3.555 1.00 0.92 C ATOM 1893 O VAL A 117 3.677 -2.134 -4.547 1.00 0.94 O ATOM 1894 CB VAL A 117 2.861 -4.994 -3.024 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.624 -4.707 -3.877 1.00 0.82 C ATOM 1896 CG2 VAL A 117 3.101 -6.500 -2.967 1.00 0.85 C ATOM 0 H VAL A 117 5.155 -5.366 -2.128 1.00 0.95 H new ATOM 0 HA VAL A 117 4.184 -4.599 -4.689 1.00 0.91 H new ATOM 0 HB VAL A 117 2.701 -4.610 -2.016 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.755 -5.194 -3.434 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.454 -3.631 -3.921 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.780 -5.091 -4.885 1.00 0.82 H new ATOM 0 HG21 VAL A 117 2.233 -6.990 -2.526 1.00 0.85 H new ATOM 0 HG22 VAL A 117 3.260 -6.882 -3.976 1.00 0.85 H new ATOM 0 HG23 VAL A 117 3.982 -6.705 -2.359 1.00 0.85 H new ATOM 1906 N LEU A 118 3.959 -2.253 -2.378 1.00 0.91 N ATOM 1907 CA LEU A 118 3.768 -0.784 -2.239 1.00 0.92 C ATOM 1908 C LEU A 118 4.742 -0.084 -3.181 1.00 0.98 C ATOM 1909 O LEU A 118 4.365 0.796 -3.916 1.00 1.00 O ATOM 1910 CB LEU A 118 4.008 -0.346 -0.774 1.00 0.92 C ATOM 1911 CG LEU A 118 2.676 0.029 -0.086 1.00 0.86 C ATOM 1912 CD1 LEU A 118 2.029 1.247 -0.784 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.714 -1.179 -0.113 1.00 0.81 C ATOM 0 H LEU A 118 4.136 -2.755 -1.508 1.00 0.91 H new ATOM 0 HA LEU A 118 2.745 -0.512 -2.500 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.492 -1.153 -0.224 1.00 0.92 H new ATOM 0 HB3 LEU A 118 4.686 0.507 -0.752 1.00 0.92 H new ATOM 0 HG LEU A 118 2.880 0.298 0.951 1.00 0.86 H new ATOM 0 HD11 LEU A 118 1.092 1.497 -0.286 1.00 0.86 H new ATOM 0 HD12 LEU A 118 2.706 2.099 -0.731 1.00 0.86 H new ATOM 0 HD13 LEU A 118 1.832 1.005 -1.828 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.777 -0.909 0.373 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.517 -1.464 -1.146 1.00 0.81 H new ATOM 0 HD23 LEU A 118 2.168 -2.018 0.415 1.00 0.81 H new ATOM 1925 N TYR A 119 5.985 -0.487 -3.192 1.00 1.03 N ATOM 1926 CA TYR A 119 6.962 0.143 -4.124 1.00 1.09 C ATOM 1927 C TYR A 119 6.324 0.172 -5.504 1.00 1.08 C ATOM 1928 O TYR A 119 6.237 1.190 -6.162 1.00 1.11 O ATOM 1929 CB TYR A 119 8.216 -0.723 -4.182 1.00 1.13 C ATOM 1930 CG TYR A 119 9.291 -0.004 -4.947 1.00 1.20 C ATOM 1931 CD1 TYR A 119 10.070 0.972 -4.320 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.506 -0.320 -6.285 1.00 1.24 C ATOM 1933 CE1 TYR A 119 11.071 1.635 -5.041 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.504 0.339 -7.011 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.288 1.319 -6.388 1.00 1.34 C ATOM 1936 OH TYR A 119 12.274 1.971 -7.101 1.00 1.41 O ATOM 0 H TYR A 119 6.364 -1.224 -2.597 1.00 1.03 H new ATOM 0 HA TYR A 119 7.224 1.148 -3.793 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.562 -0.947 -3.173 1.00 1.13 H new ATOM 0 HB3 TYR A 119 7.990 -1.676 -4.661 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.900 1.215 -3.281 1.00 1.24 H new ATOM 0 HD2 TYR A 119 8.901 -1.076 -6.764 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.675 2.389 -4.559 1.00 1.31 H new ATOM 0 HE2 TYR A 119 10.670 0.093 -8.049 1.00 1.31 H new ATOM 0 HH TYR A 119 12.292 1.631 -8.020 1.00 1.41 H new ATOM 1946 N ASN A 120 5.861 -0.964 -5.915 1.00 1.06 N ATOM 1947 CA ASN A 120 5.190 -1.092 -7.230 1.00 1.05 C ATOM 1948 C ASN A 120 4.168 0.052 -7.401 1.00 1.03 C ATOM 1949 O ASN A 120 4.017 0.612 -8.473 1.00 1.05 O ATOM 1950 CB ASN A 120 4.480 -2.467 -7.268 1.00 1.01 C ATOM 1951 CG ASN A 120 4.641 -3.114 -8.650 1.00 1.04 C ATOM 1952 OD1 ASN A 120 3.837 -2.892 -9.534 1.00 1.06 O ATOM 1953 ND2 ASN A 120 5.652 -3.908 -8.873 1.00 1.06 N ATOM 0 H ASN A 120 5.920 -1.832 -5.383 1.00 1.06 H new ATOM 0 HA ASN A 120 5.913 -1.026 -8.043 1.00 1.05 H new ATOM 0 HB2 ASN A 120 4.898 -3.121 -6.502 1.00 1.01 H new ATOM 0 HB3 ASN A 120 3.422 -2.343 -7.038 1.00 1.01 H new ATOM 0 HD21 ASN A 120 5.767 -4.342 -9.789 1.00 1.06 H new ATOM 0 HD22 ASN A 120 6.327 -4.095 -8.132 1.00 1.06 H new ATOM 1960 N LEU A 121 3.469 0.408 -6.351 1.00 0.99 N ATOM 1961 CA LEU A 121 2.470 1.506 -6.462 1.00 0.97 C ATOM 1962 C LEU A 121 3.206 2.838 -6.549 1.00 1.03 C ATOM 1963 O LEU A 121 3.071 3.544 -7.510 1.00 1.05 O ATOM 1964 CB LEU A 121 1.545 1.507 -5.241 1.00 0.92 C ATOM 1965 CG LEU A 121 0.361 0.557 -5.470 1.00 0.87 C ATOM 1966 CD1 LEU A 121 0.868 -0.883 -5.569 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.619 0.671 -4.300 1.00 0.87 C ATOM 0 H LEU A 121 3.549 -0.015 -5.426 1.00 0.99 H new ATOM 0 HA LEU A 121 1.866 1.356 -7.357 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.101 1.200 -4.355 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.179 2.517 -5.054 1.00 0.92 H new ATOM 0 HG LEU A 121 -0.144 0.828 -6.397 1.00 0.87 H new ATOM 0 HD11 LEU A 121 0.025 -1.555 -5.732 1.00 0.86 H new ATOM 0 HD12 LEU A 121 1.565 -0.967 -6.403 1.00 0.86 H new ATOM 0 HD13 LEU A 121 1.375 -1.155 -4.643 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -1.460 -0.003 -4.463 1.00 0.87 H new ATOM 0 HD22 LEU A 121 -0.112 0.402 -3.373 1.00 0.87 H new ATOM 0 HD23 LEU A 121 -0.984 1.696 -4.230 1.00 0.87 H new ATOM 1979 N PHE A 122 3.985 3.184 -5.552 1.00 1.05 N ATOM 1980 CA PHE A 122 4.734 4.469 -5.578 1.00 1.11 C ATOM 1981 C PHE A 122 5.256 4.720 -6.969 1.00 1.16 C ATOM 1982 O PHE A 122 5.426 5.829 -7.397 1.00 1.20 O ATOM 1983 CB PHE A 122 5.931 4.323 -4.620 1.00 1.14 C ATOM 1984 CG PHE A 122 6.291 5.644 -4.021 1.00 1.18 C ATOM 1985 CD1 PHE A 122 5.464 6.159 -3.049 1.00 1.16 C ATOM 1986 CD2 PHE A 122 7.447 6.329 -4.415 1.00 1.25 C ATOM 1987 CE1 PHE A 122 5.776 7.387 -2.440 1.00 1.20 C ATOM 1988 CE2 PHE A 122 7.763 7.555 -3.819 1.00 1.29 C ATOM 1989 CZ PHE A 122 6.927 8.084 -2.830 1.00 1.27 C ATOM 0 H PHE A 122 4.132 2.621 -4.714 1.00 1.05 H new ATOM 0 HA PHE A 122 4.087 5.295 -5.282 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.686 3.614 -3.829 1.00 1.14 H new ATOM 0 HB3 PHE A 122 6.787 3.917 -5.159 1.00 1.14 H new ATOM 0 HD1 PHE A 122 4.576 5.620 -2.754 1.00 1.16 H new ATOM 0 HD2 PHE A 122 8.092 5.913 -5.175 1.00 1.25 H new ATOM 0 HE1 PHE A 122 5.131 7.792 -1.674 1.00 1.20 H new ATOM 0 HE2 PHE A 122 8.650 8.091 -4.122 1.00 1.29 H new ATOM 0 HZ PHE A 122 7.169 9.029 -2.367 1.00 1.27 H new ATOM 1999 N THR A 123 5.478 3.680 -7.666 1.00 1.15 N ATOM 2000 CA THR A 123 5.979 3.816 -9.058 1.00 1.20 C ATOM 2001 C THR A 123 4.828 4.242 -9.967 1.00 1.18 C ATOM 2002 O THR A 123 4.938 5.167 -10.746 1.00 1.22 O ATOM 2003 CB THR A 123 6.537 2.472 -9.534 1.00 1.21 C ATOM 2004 OG1 THR A 123 7.437 1.963 -8.560 1.00 1.22 O ATOM 2005 CG2 THR A 123 7.272 2.666 -10.861 1.00 1.27 C ATOM 0 H THR A 123 5.338 2.722 -7.345 1.00 1.15 H new ATOM 0 HA THR A 123 6.769 4.567 -9.092 1.00 1.20 H new ATOM 0 HB THR A 123 5.718 1.766 -9.675 1.00 1.21 H new ATOM 0 HG1 THR A 123 6.932 1.644 -7.783 1.00 1.22 H new ATOM 0 HG21 THR A 123 7.669 1.709 -11.200 1.00 1.27 H new ATOM 0 HG22 THR A 123 6.579 3.056 -11.607 1.00 1.27 H new ATOM 0 HG23 THR A 123 8.092 3.371 -10.723 1.00 1.27 H new ATOM 2013 N LYS A 124 3.733 3.554 -9.874 1.00 1.12 N ATOM 2014 CA LYS A 124 2.558 3.860 -10.732 1.00 1.10 C ATOM 2015 C LYS A 124 1.885 5.193 -10.372 1.00 1.10 C ATOM 2016 O LYS A 124 1.194 5.766 -11.191 1.00 1.11 O ATOM 2017 CB LYS A 124 1.532 2.750 -10.542 1.00 1.04 C ATOM 2018 CG LYS A 124 2.051 1.435 -11.114 1.00 1.04 C ATOM 2019 CD LYS A 124 1.122 0.280 -10.664 1.00 0.99 C ATOM 2020 CE LYS A 124 0.820 -0.621 -11.849 1.00 0.98 C ATOM 2021 NZ LYS A 124 -0.174 -1.656 -11.449 1.00 0.92 N ATOM 0 H LYS A 124 3.597 2.777 -9.228 1.00 1.12 H new ATOM 0 HA LYS A 124 2.911 3.933 -11.761 1.00 1.10 H new ATOM 0 HB2 LYS A 124 1.311 2.629 -9.481 1.00 1.04 H new ATOM 0 HB3 LYS A 124 0.598 3.023 -11.033 1.00 1.04 H new ATOM 0 HG2 LYS A 124 2.085 1.487 -12.202 1.00 1.04 H new ATOM 0 HG3 LYS A 124 3.070 1.253 -10.771 1.00 1.04 H new ATOM 0 HD2 LYS A 124 1.598 -0.294 -9.869 1.00 0.99 H new ATOM 0 HD3 LYS A 124 0.195 0.683 -10.255 1.00 0.99 H new ATOM 0 HE2 LYS A 124 0.431 -0.030 -12.678 1.00 0.98 H new ATOM 0 HE3 LYS A 124 1.736 -1.098 -12.199 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 -0.494 -2.174 -12.292 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 0.266 -2.320 -10.781 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 -0.989 -1.197 -10.994 1.00 0.92 H new ATOM 2035 N TYR A 125 2.032 5.678 -9.162 1.00 1.10 N ATOM 2036 CA TYR A 125 1.339 6.954 -8.778 1.00 1.11 C ATOM 2037 C TYR A 125 2.337 8.109 -8.713 1.00 1.17 C ATOM 2038 O TYR A 125 1.979 9.264 -8.825 1.00 1.20 O ATOM 2039 CB TYR A 125 0.677 6.756 -7.416 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.464 5.762 -7.552 1.00 1.00 C ATOM 2041 CD1 TYR A 125 -0.195 4.403 -7.774 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.791 6.199 -7.451 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -1.248 3.489 -7.895 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.843 5.282 -7.571 1.00 0.94 C ATOM 2045 CZ TYR A 125 -2.571 3.928 -7.793 1.00 0.90 C ATOM 2046 OH TYR A 125 -3.609 3.027 -7.913 1.00 0.86 O ATOM 0 H TYR A 125 2.597 5.251 -8.427 1.00 1.10 H new ATOM 0 HA TYR A 125 0.587 7.200 -9.527 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.407 6.392 -6.693 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.302 7.708 -7.039 1.00 1.06 H new ATOM 0 HD1 TYR A 125 0.827 4.062 -7.852 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -2.003 7.244 -7.280 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -1.038 2.444 -8.067 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.865 5.621 -7.492 1.00 0.94 H new ATOM 0 HH TYR A 125 -4.463 3.497 -7.816 1.00 0.86 H new ATOM 2056 N ARG A 126 3.582 7.803 -8.535 1.00 1.20 N ATOM 2057 CA ARG A 126 4.626 8.856 -8.460 1.00 1.27 C ATOM 2058 C ARG A 126 4.405 9.913 -9.554 1.00 1.31 C ATOM 2059 O ARG A 126 4.681 11.081 -9.365 1.00 1.35 O ATOM 2060 CB ARG A 126 5.997 8.154 -8.613 1.00 1.31 C ATOM 2061 CG ARG A 126 6.973 9.008 -9.423 1.00 1.38 C ATOM 2062 CD ARG A 126 8.393 8.389 -9.410 1.00 1.42 C ATOM 2063 NE ARG A 126 9.416 9.455 -9.154 1.00 1.49 N ATOM 2064 CZ ARG A 126 9.383 10.597 -9.792 1.00 1.52 C ATOM 2065 NH1 ARG A 126 8.511 10.799 -10.740 1.00 1.50 N ATOM 2066 NH2 ARG A 126 10.247 11.529 -9.497 1.00 1.59 N ATOM 0 H ARG A 126 3.930 6.850 -8.436 1.00 1.20 H new ATOM 0 HA ARG A 126 4.583 9.382 -7.506 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.417 7.954 -7.627 1.00 1.31 H new ATOM 0 HB3 ARG A 126 5.861 7.190 -9.103 1.00 1.31 H new ATOM 0 HG2 ARG A 126 6.620 9.095 -10.450 1.00 1.38 H new ATOM 0 HG3 ARG A 126 7.008 10.017 -9.011 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.456 7.620 -8.640 1.00 1.42 H new ATOM 0 HD3 ARG A 126 8.595 7.902 -10.364 1.00 1.42 H new ATOM 0 HE ARG A 126 10.152 9.287 -8.469 1.00 1.49 H new ATOM 0 HH11 ARG A 126 7.849 10.064 -10.989 1.00 1.50 H new ATOM 0 HH12 ARG A 126 8.491 11.692 -11.233 1.00 1.50 H new ATOM 0 HH21 ARG A 126 10.945 11.366 -8.771 1.00 1.59 H new ATOM 0 HH22 ARG A 126 10.224 12.420 -9.992 1.00 1.59 H new ATOM 2080 N ASN A 127 3.941 9.505 -10.698 1.00 1.30 N ATOM 2081 CA ASN A 127 3.733 10.460 -11.822 1.00 1.33 C ATOM 2082 C ASN A 127 2.261 10.846 -11.892 1.00 1.29 C ATOM 2083 O ASN A 127 1.896 11.887 -12.402 1.00 1.31 O ATOM 2084 CB ASN A 127 4.163 9.750 -13.120 1.00 1.35 C ATOM 2085 CG ASN A 127 5.585 10.167 -13.520 1.00 1.43 C ATOM 2086 OD1 ASN A 127 6.456 10.446 -12.589 1.00 1.46 O flip ATOM 2087 ND2 ASN A 127 5.904 10.236 -14.690 1.00 1.46 N flip ATOM 0 H ASN A 127 3.693 8.538 -10.907 1.00 1.30 H new ATOM 0 HA ASN A 127 4.319 11.368 -11.679 1.00 1.33 H new ATOM 0 HB2 ASN A 127 4.121 8.670 -12.981 1.00 1.35 H new ATOM 0 HB3 ASN A 127 3.467 9.995 -13.922 1.00 1.35 H new ATOM 0 HD21 ASN A 127 5.223 10.018 -15.418 1.00 1.46 H new ATOM 0 HD22 ASN A 127 6.852 10.512 -14.945 1.00 1.46 H new ATOM 2094 N VAL A 128 1.424 9.999 -11.388 1.00 1.23 N ATOM 2095 CA VAL A 128 -0.046 10.261 -11.409 1.00 1.18 C ATOM 2096 C VAL A 128 -0.502 10.672 -10.012 1.00 1.15 C ATOM 2097 O VAL A 128 -0.238 10.013 -9.027 1.00 1.11 O ATOM 2098 CB VAL A 128 -0.758 8.982 -11.875 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -2.232 8.993 -11.449 1.00 1.09 C ATOM 2100 CG2 VAL A 128 -0.679 8.884 -13.402 1.00 1.17 C ATOM 0 H VAL A 128 1.693 9.117 -10.952 1.00 1.23 H new ATOM 0 HA VAL A 128 -0.290 11.071 -12.096 1.00 1.18 H new ATOM 0 HB VAL A 128 -0.266 8.125 -11.416 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -2.716 8.078 -11.790 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -2.296 9.055 -10.363 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -2.732 9.854 -11.892 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -1.184 7.977 -13.735 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -1.163 9.753 -13.848 1.00 1.17 H new ATOM 0 HG23 VAL A 128 0.366 8.852 -13.711 1.00 1.17 H new