USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 740 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 57 HIS : no HD1:sc= -6.18! C(o=-5.9!,f=-7.9!) USER MOD Set 1.2: A 74 SER OG : rot 150:sc= 0.139 USER MOD Set 1.3: A 78 THR OG1 : rot 43:sc= 0.147 USER MOD Single : A 10 THR OG1 : rot 36:sc= 0.0379 USER MOD Single : A 12 SER OG : rot -81:sc= 0.291 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 165:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0527 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 73:sc= 1.18 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.73) USER MOD Single : A 70 GLN : amide:sc= 0.624 K(o=0.62,f=-2.2!) USER MOD Single : A 81 ASN : amide:sc= -1.55 K(o=-1.6,f=-6.1!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.977! X(o=-0.98!,f=-0.91) USER MOD Single : A 89 THR OG1 : rot -31:sc= 0.131 USER MOD Single : A 90 SER OG : rot 24:sc= 0.126 USER MOD Single : A 92 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.3) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 150:sc= -0.195 USER MOD Single : A 106 SER OG : rot 180:sc= -0.472 USER MOD Single : A 110 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 10 -11.013 -10.637 -3.178 1.00 0.00 N ATOM 100 CA THR A 10 -9.869 -9.859 -2.735 1.00 0.00 C ATOM 101 C THR A 10 -10.321 -8.493 -2.215 1.00 0.00 C ATOM 102 O THR A 10 -10.928 -7.715 -2.949 1.00 0.00 O ATOM 103 CB THR A 10 -8.880 -9.768 -3.899 1.00 0.00 C ATOM 104 OG1 THR A 10 -8.546 -11.125 -4.178 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.549 -9.134 -3.489 1.00 0.00 C ATOM 0 HA THR A 10 -9.365 -10.340 -1.897 1.00 0.00 H new ATOM 0 HB THR A 10 -9.325 -9.188 -4.708 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.334 -11.691 -4.041 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.884 -9.094 -4.352 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.726 -8.124 -3.119 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.088 -9.732 -2.703 1.00 0.00 H new ATOM 113 N PRO A 11 -10.000 -8.238 -0.918 1.00 0.00 N ATOM 114 CA PRO A 11 -10.367 -6.980 -0.291 1.00 0.00 C ATOM 115 C PRO A 11 -9.466 -5.842 -0.774 1.00 0.00 C ATOM 116 O PRO A 11 -8.301 -6.065 -1.100 1.00 0.00 O ATOM 117 CB PRO A 11 -10.251 -7.236 1.203 1.00 0.00 C ATOM 118 CG PRO A 11 -9.380 -8.474 1.346 1.00 0.00 C ATOM 119 CD PRO A 11 -9.283 -9.136 -0.018 1.00 0.00 C ATOM 0 HA PRO A 11 -11.376 -6.661 -0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.804 -6.382 1.712 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.232 -7.395 1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.389 -8.203 1.710 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.810 -9.161 2.074 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.245 -9.259 -0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.732 -10.129 -0.009 1.00 0.00 H new ATOM 127 N SER A 12 -10.039 -4.648 -0.805 1.00 0.00 N ATOM 128 CA SER A 12 -9.301 -3.475 -1.243 1.00 0.00 C ATOM 129 C SER A 12 -8.153 -3.187 -0.274 1.00 0.00 C ATOM 130 O SER A 12 -8.264 -3.454 0.921 1.00 0.00 O ATOM 131 CB SER A 12 -10.220 -2.257 -1.356 1.00 0.00 C ATOM 132 OG SER A 12 -10.959 -2.256 -2.574 1.00 0.00 O ATOM 0 H SER A 12 -11.006 -4.467 -0.534 1.00 0.00 H new ATOM 0 HA SER A 12 -8.890 -3.679 -2.232 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.911 -2.245 -0.513 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.624 -1.346 -1.293 1.00 0.00 H new ATOM 0 HG SER A 12 -10.397 -1.907 -3.297 1.00 0.00 H new ATOM 138 N LEU A 13 -7.077 -2.644 -0.826 1.00 0.00 N ATOM 139 CA LEU A 13 -5.910 -2.317 -0.025 1.00 0.00 C ATOM 140 C LEU A 13 -6.027 -0.875 0.472 1.00 0.00 C ATOM 141 O LEU A 13 -6.024 0.063 -0.324 1.00 0.00 O ATOM 142 CB LEU A 13 -4.627 -2.594 -0.810 1.00 0.00 C ATOM 143 CG LEU A 13 -3.316 -2.359 -0.057 1.00 0.00 C ATOM 144 CD1 LEU A 13 -3.196 -3.302 1.142 1.00 0.00 C ATOM 145 CD2 LEU A 13 -2.115 -2.473 -0.998 1.00 0.00 C ATOM 0 H LEU A 13 -6.989 -2.423 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.861 -2.956 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.648 -3.630 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.628 -1.968 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.324 -1.341 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.255 -3.114 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.027 -3.129 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.220 -4.335 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.196 -2.302 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.091 -3.470 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.201 -1.729 -1.790 1.00 0.00 H new ATOM 157 N ARG A 14 -6.127 -0.742 1.787 1.00 0.00 N ATOM 158 CA ARG A 14 -6.245 0.570 2.400 1.00 0.00 C ATOM 159 C ARG A 14 -4.999 0.881 3.232 1.00 0.00 C ATOM 160 O ARG A 14 -4.848 0.374 4.343 1.00 0.00 O ATOM 161 CB ARG A 14 -7.482 0.650 3.297 1.00 0.00 C ATOM 162 CG ARG A 14 -7.582 2.020 3.971 1.00 0.00 C ATOM 163 CD ARG A 14 -8.327 1.922 5.304 1.00 0.00 C ATOM 164 NE ARG A 14 -9.294 3.035 5.427 1.00 0.00 N ATOM 165 CZ ARG A 14 -9.975 3.318 6.546 1.00 0.00 C ATOM 166 NH1 ARG A 14 -9.801 2.570 7.644 1.00 0.00 N ATOM 167 NH2 ARG A 14 -10.832 4.348 6.566 1.00 0.00 N ATOM 0 H ARG A 14 -6.129 -1.522 2.445 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.343 1.303 1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.378 0.466 2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.436 -0.131 4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.582 2.421 4.138 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.099 2.717 3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.849 0.967 5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.617 1.954 6.130 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.452 3.624 4.609 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.150 1.785 7.628 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.319 2.786 8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.966 4.916 5.730 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.350 4.564 7.418 1.00 0.00 H new ATOM 181 N LEU A 15 -4.139 1.713 2.664 1.00 0.00 N ATOM 182 CA LEU A 15 -2.911 2.097 3.339 1.00 0.00 C ATOM 183 C LEU A 15 -3.184 3.307 4.235 1.00 0.00 C ATOM 184 O LEU A 15 -3.454 4.401 3.741 1.00 0.00 O ATOM 185 CB LEU A 15 -1.789 2.324 2.324 1.00 0.00 C ATOM 186 CG LEU A 15 -1.300 1.082 1.576 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.449 1.470 0.366 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.556 0.132 2.518 1.00 0.00 C ATOM 0 H LEU A 15 -4.268 2.132 1.743 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.565 1.291 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.132 3.054 1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.940 2.768 2.844 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.171 0.546 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.114 0.569 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.043 2.077 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.418 2.041 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.219 -0.742 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.306 0.644 2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.224 -0.183 3.319 1.00 0.00 H new ATOM 200 N VAL A 16 -3.105 3.070 5.536 1.00 0.00 N ATOM 201 CA VAL A 16 -3.340 4.126 6.505 1.00 0.00 C ATOM 202 C VAL A 16 -1.997 4.666 7.000 1.00 0.00 C ATOM 203 O VAL A 16 -1.161 3.908 7.489 1.00 0.00 O ATOM 204 CB VAL A 16 -4.231 3.610 7.637 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.437 4.684 8.706 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.572 3.111 7.095 1.00 0.00 C ATOM 0 H VAL A 16 -2.881 2.161 5.942 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.874 4.956 6.043 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.724 2.766 8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.074 4.291 9.499 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.472 4.971 9.124 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.912 5.557 8.258 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.186 2.750 7.920 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.087 3.928 6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.399 2.299 6.389 1.00 0.00 H new ATOM 216 N PHE A 17 -1.832 5.973 6.857 1.00 0.00 N ATOM 217 CA PHE A 17 -0.605 6.623 7.284 1.00 0.00 C ATOM 218 C PHE A 17 -0.621 6.892 8.790 1.00 0.00 C ATOM 219 O PHE A 17 -0.966 7.989 9.225 1.00 0.00 O ATOM 220 CB PHE A 17 -0.524 7.959 6.541 1.00 0.00 C ATOM 221 CG PHE A 17 0.281 7.900 5.241 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.633 8.047 5.272 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.355 7.701 4.056 1.00 0.00 C ATOM 224 CE1 PHE A 17 2.380 7.992 4.065 1.00 0.00 C ATOM 225 CE2 PHE A 17 0.392 7.647 2.849 1.00 0.00 C ATOM 226 CZ PHE A 17 1.744 7.794 2.880 1.00 0.00 C ATOM 0 H PHE A 17 -2.528 6.599 6.451 1.00 0.00 H new ATOM 0 HA PHE A 17 0.250 5.983 7.066 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.535 8.299 6.315 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.077 8.703 7.200 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.138 8.205 6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.428 7.584 4.032 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.454 8.108 4.089 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.113 7.489 1.907 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.312 7.753 1.963 1.00 0.00 H new ATOM 236 N VAL A 18 -0.244 5.870 9.545 1.00 0.00 N ATOM 237 CA VAL A 18 -0.212 5.982 10.993 1.00 0.00 C ATOM 238 C VAL A 18 0.936 6.907 11.403 1.00 0.00 C ATOM 239 O VAL A 18 0.835 7.623 12.399 1.00 0.00 O ATOM 240 CB VAL A 18 -0.113 4.591 11.623 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.459 3.866 11.566 1.00 0.00 C ATOM 242 CG2 VAL A 18 0.985 3.762 10.953 1.00 0.00 C ATOM 0 H VAL A 18 0.042 4.961 9.181 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.136 6.427 11.363 1.00 0.00 H new ATOM 0 HB VAL A 18 0.155 4.717 12.672 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.361 2.880 12.020 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.207 4.443 12.110 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.770 3.757 10.527 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.034 2.778 11.420 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.760 3.650 9.892 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.944 4.267 11.069 1.00 0.00 H new ATOM 252 N LYS A 19 2.000 6.862 10.616 1.00 0.00 N ATOM 253 CA LYS A 19 3.165 7.687 10.884 1.00 0.00 C ATOM 254 C LYS A 19 3.668 8.295 9.573 1.00 0.00 C ATOM 255 O LYS A 19 3.103 8.040 8.510 1.00 0.00 O ATOM 256 CB LYS A 19 4.228 6.885 11.637 1.00 0.00 C ATOM 257 CG LYS A 19 3.670 6.333 12.951 1.00 0.00 C ATOM 258 CD LYS A 19 4.673 6.513 14.092 1.00 0.00 C ATOM 259 CE LYS A 19 4.077 6.053 15.424 1.00 0.00 C ATOM 260 NZ LYS A 19 3.952 7.194 16.358 1.00 0.00 N ATOM 0 H LYS A 19 2.080 6.266 9.792 1.00 0.00 H new ATOM 0 HA LYS A 19 2.901 8.517 11.540 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.578 6.063 11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.090 7.520 11.842 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.739 6.843 13.197 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.433 5.276 12.834 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.578 5.944 13.879 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.965 7.561 14.163 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.098 5.605 15.255 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.709 5.282 15.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.546 6.864 17.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.892 7.604 16.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.331 7.917 15.942 1.00 0.00 H new ATOM 274 N GLY A 20 4.723 9.087 9.692 1.00 0.00 N ATOM 275 CA GLY A 20 5.308 9.733 8.529 1.00 0.00 C ATOM 276 C GLY A 20 4.858 11.192 8.428 1.00 0.00 C ATOM 277 O GLY A 20 4.203 11.708 9.332 1.00 0.00 O ATOM 0 H GLY A 20 5.188 9.296 10.575 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.395 9.688 8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.018 9.196 7.626 1.00 0.00 H new ATOM 281 N PRO A 21 5.236 11.833 7.289 1.00 0.00 N ATOM 282 CA PRO A 21 4.878 13.222 7.058 1.00 0.00 C ATOM 283 C PRO A 21 3.401 13.352 6.681 1.00 0.00 C ATOM 284 O PRO A 21 2.840 14.446 6.723 1.00 0.00 O ATOM 285 CB PRO A 21 5.815 13.691 5.957 1.00 0.00 C ATOM 286 CG PRO A 21 6.343 12.430 5.293 1.00 0.00 C ATOM 287 CD PRO A 21 6.012 11.254 6.196 1.00 0.00 C ATOM 0 HA PRO A 21 4.991 13.839 7.949 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.289 14.320 5.238 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.630 14.288 6.366 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.889 12.297 4.311 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.420 12.502 5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.440 10.494 5.663 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.917 10.771 6.565 1.00 0.00 H new ATOM 295 N ARG A 22 2.813 12.220 6.322 1.00 0.00 N ATOM 296 CA ARG A 22 1.412 12.194 5.938 1.00 0.00 C ATOM 297 C ARG A 22 0.581 11.485 7.010 1.00 0.00 C ATOM 298 O ARG A 22 -0.553 11.082 6.755 1.00 0.00 O ATOM 299 CB ARG A 22 1.221 11.479 4.599 1.00 0.00 C ATOM 300 CG ARG A 22 1.017 12.486 3.465 1.00 0.00 C ATOM 301 CD ARG A 22 1.875 12.125 2.250 1.00 0.00 C ATOM 302 NE ARG A 22 1.038 12.096 1.030 1.00 0.00 N ATOM 303 CZ ARG A 22 1.514 12.267 -0.211 1.00 0.00 C ATOM 304 NH1 ARG A 22 2.823 12.480 -0.403 1.00 0.00 N ATOM 305 NH2 ARG A 22 0.681 12.226 -1.260 1.00 0.00 N ATOM 0 H ARG A 22 3.281 11.314 6.289 1.00 0.00 H new ATOM 0 HA ARG A 22 1.077 13.226 5.837 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.091 10.858 4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.360 10.813 4.658 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.034 12.508 3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.274 13.487 3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.678 12.852 2.133 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.345 11.153 2.402 1.00 0.00 H new ATOM 0 HE ARG A 22 0.037 11.936 1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.457 12.512 0.395 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.185 12.610 -1.348 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.316 12.065 -1.114 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.043 12.356 -2.204 1.00 0.00 H new ATOM 319 N GLU A 23 1.178 11.354 8.185 1.00 0.00 N ATOM 320 CA GLU A 23 0.507 10.701 9.297 1.00 0.00 C ATOM 321 C GLU A 23 -0.909 11.256 9.463 1.00 0.00 C ATOM 322 O GLU A 23 -1.087 12.446 9.717 1.00 0.00 O ATOM 323 CB GLU A 23 1.311 10.854 10.589 1.00 0.00 C ATOM 324 CG GLU A 23 0.452 10.525 11.812 1.00 0.00 C ATOM 325 CD GLU A 23 1.284 10.573 13.095 1.00 0.00 C ATOM 326 OE1 GLU A 23 2.522 10.455 12.974 1.00 0.00 O ATOM 327 OE2 GLU A 23 0.662 10.727 14.169 1.00 0.00 O ATOM 0 H GLU A 23 2.119 11.689 8.392 1.00 0.00 H new ATOM 0 HA GLU A 23 0.435 9.636 9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.179 10.195 10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.688 11.874 10.668 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.373 11.234 11.883 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.012 9.534 11.696 1.00 0.00 H new ATOM 334 N GLY A 24 -1.880 10.368 9.312 1.00 0.00 N ATOM 335 CA GLY A 24 -3.275 10.754 9.442 1.00 0.00 C ATOM 336 C GLY A 24 -4.004 10.636 8.102 1.00 0.00 C ATOM 337 O GLY A 24 -5.168 11.017 7.989 1.00 0.00 O ATOM 0 H GLY A 24 -1.729 9.382 9.101 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.764 10.121 10.183 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.340 11.779 9.806 1.00 0.00 H new ATOM 341 N ASP A 25 -3.289 10.107 7.121 1.00 0.00 N ATOM 342 CA ASP A 25 -3.853 9.933 5.793 1.00 0.00 C ATOM 343 C ASP A 25 -4.210 8.461 5.583 1.00 0.00 C ATOM 344 O ASP A 25 -3.741 7.594 6.319 1.00 0.00 O ATOM 345 CB ASP A 25 -2.849 10.335 4.711 1.00 0.00 C ATOM 346 CG ASP A 25 -2.782 11.835 4.415 1.00 0.00 C ATOM 347 OD1 ASP A 25 -3.018 12.612 5.365 1.00 0.00 O ATOM 348 OD2 ASP A 25 -2.498 12.170 3.245 1.00 0.00 O ATOM 0 H ASP A 25 -2.324 9.793 7.219 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.737 10.566 5.718 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.858 9.995 5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.101 9.809 3.790 1.00 0.00 H new ATOM 353 N ALA A 26 -5.037 8.223 4.576 1.00 0.00 N ATOM 354 CA ALA A 26 -5.462 6.870 4.260 1.00 0.00 C ATOM 355 C ALA A 26 -5.878 6.801 2.789 1.00 0.00 C ATOM 356 O ALA A 26 -6.632 7.648 2.313 1.00 0.00 O ATOM 357 CB ALA A 26 -6.592 6.456 5.205 1.00 0.00 C ATOM 0 H ALA A 26 -5.424 8.945 3.968 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.642 6.167 4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.911 5.441 4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.237 6.494 6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.434 7.138 5.086 1.00 0.00 H new ATOM 363 N LEU A 27 -5.368 5.783 2.111 1.00 0.00 N ATOM 364 CA LEU A 27 -5.677 5.593 0.704 1.00 0.00 C ATOM 365 C LEU A 27 -6.409 4.261 0.523 1.00 0.00 C ATOM 366 O LEU A 27 -6.476 3.455 1.449 1.00 0.00 O ATOM 367 CB LEU A 27 -4.410 5.718 -0.145 1.00 0.00 C ATOM 368 CG LEU A 27 -3.563 6.970 0.095 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.073 6.626 0.126 1.00 0.00 C ATOM 370 CD2 LEU A 27 -3.880 8.052 -0.940 1.00 0.00 C ATOM 0 H LEU A 27 -4.744 5.082 2.510 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.347 6.377 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.787 4.842 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.697 5.694 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.820 7.375 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.494 7.533 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.880 5.915 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.782 6.185 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.265 8.931 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.668 7.673 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.933 8.324 -0.871 1.00 0.00 H new ATOM 382 N ASP A 28 -6.940 4.073 -0.677 1.00 0.00 N ATOM 383 CA ASP A 28 -7.664 2.853 -0.991 1.00 0.00 C ATOM 384 C ASP A 28 -7.490 2.530 -2.476 1.00 0.00 C ATOM 385 O ASP A 28 -7.410 3.434 -3.307 1.00 0.00 O ATOM 386 CB ASP A 28 -9.160 3.015 -0.715 1.00 0.00 C ATOM 387 CG ASP A 28 -9.939 1.705 -0.585 1.00 0.00 C ATOM 388 OD1 ASP A 28 -9.370 0.762 0.007 1.00 0.00 O ATOM 389 OD2 ASP A 28 -11.087 1.675 -1.080 1.00 0.00 O ATOM 0 H ASP A 28 -6.883 4.745 -1.442 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.266 2.054 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.285 3.587 0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.601 3.604 -1.519 1.00 0.00 H new ATOM 394 N TYR A 29 -7.436 1.238 -2.765 1.00 0.00 N ATOM 395 CA TYR A 29 -7.273 0.784 -4.136 1.00 0.00 C ATOM 396 C TYR A 29 -8.004 -0.540 -4.366 1.00 0.00 C ATOM 397 O TYR A 29 -8.416 -1.199 -3.413 1.00 0.00 O ATOM 398 CB TYR A 29 -5.772 0.564 -4.331 1.00 0.00 C ATOM 399 CG TYR A 29 -4.937 1.842 -4.228 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.795 2.665 -5.327 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.326 2.173 -3.035 1.00 0.00 C ATOM 402 CE1 TYR A 29 -4.009 3.868 -5.229 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.540 3.376 -2.938 1.00 0.00 C ATOM 404 CZ TYR A 29 -3.420 4.164 -4.039 1.00 0.00 C ATOM 405 OH TYR A 29 -2.678 5.300 -3.947 1.00 0.00 O ATOM 0 H TYR A 29 -7.502 0.491 -2.073 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.683 1.514 -4.833 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.420 -0.149 -3.585 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.606 0.111 -5.308 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.273 2.407 -6.260 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.437 1.530 -2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.890 4.521 -6.081 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.057 3.646 -2.011 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.520 5.512 -3.003 1.00 0.00 H new ATOM 415 N LYS A 30 -8.144 -0.889 -5.637 1.00 0.00 N ATOM 416 CA LYS A 30 -8.819 -2.122 -6.004 1.00 0.00 C ATOM 417 C LYS A 30 -7.824 -3.283 -5.933 1.00 0.00 C ATOM 418 O LYS A 30 -6.613 -3.068 -5.929 1.00 0.00 O ATOM 419 CB LYS A 30 -9.497 -1.976 -7.367 1.00 0.00 C ATOM 420 CG LYS A 30 -10.910 -1.409 -7.218 1.00 0.00 C ATOM 421 CD LYS A 30 -10.894 0.121 -7.254 1.00 0.00 C ATOM 422 CE LYS A 30 -11.473 0.706 -5.965 1.00 0.00 C ATOM 423 NZ LYS A 30 -11.778 2.144 -6.139 1.00 0.00 N ATOM 0 H LYS A 30 -7.801 -0.339 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.619 -2.343 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.903 -1.320 -8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.541 -2.947 -7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.544 -1.788 -8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.345 -1.750 -6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.872 0.474 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.471 0.474 -8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.379 0.167 -5.689 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.763 0.575 -5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.170 2.525 -5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.906 2.657 -6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.472 2.261 -6.904 1.00 0.00 H new ATOM 437 N PRO A 31 -8.387 -4.520 -5.879 1.00 0.00 N ATOM 438 CA PRO A 31 -7.564 -5.715 -5.808 1.00 0.00 C ATOM 439 C PRO A 31 -6.931 -6.025 -7.166 1.00 0.00 C ATOM 440 O PRO A 31 -7.624 -6.074 -8.181 1.00 0.00 O ATOM 441 CB PRO A 31 -8.500 -6.810 -5.325 1.00 0.00 C ATOM 442 CG PRO A 31 -9.908 -6.300 -5.587 1.00 0.00 C ATOM 443 CD PRO A 31 -9.818 -4.812 -5.882 1.00 0.00 C ATOM 0 HA PRO A 31 -6.719 -5.604 -5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.317 -7.743 -5.858 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.349 -7.013 -4.265 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.355 -6.829 -6.428 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.546 -6.480 -4.722 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.269 -4.571 -6.844 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.343 -4.226 -5.128 1.00 0.00 H new ATOM 451 N GLY A 32 -5.622 -6.226 -7.141 1.00 0.00 N ATOM 452 CA GLY A 32 -4.888 -6.531 -8.358 1.00 0.00 C ATOM 453 C GLY A 32 -4.285 -5.263 -8.966 1.00 0.00 C ATOM 454 O GLY A 32 -3.840 -5.271 -10.113 1.00 0.00 O ATOM 0 H GLY A 32 -5.050 -6.184 -6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.095 -7.246 -8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.554 -7.004 -9.080 1.00 0.00 H new ATOM 458 N SER A 33 -4.290 -4.203 -8.171 1.00 0.00 N ATOM 459 CA SER A 33 -3.749 -2.930 -8.616 1.00 0.00 C ATOM 460 C SER A 33 -2.412 -2.658 -7.925 1.00 0.00 C ATOM 461 O SER A 33 -2.374 -2.379 -6.727 1.00 0.00 O ATOM 462 CB SER A 33 -4.730 -1.789 -8.342 1.00 0.00 C ATOM 463 OG SER A 33 -5.516 -1.473 -9.488 1.00 0.00 O ATOM 0 H SER A 33 -4.660 -4.200 -7.221 1.00 0.00 H new ATOM 0 HA SER A 33 -3.589 -2.985 -9.693 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.387 -2.066 -7.517 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.178 -0.904 -8.026 1.00 0.00 H new ATOM 0 HG SER A 33 -6.131 -0.741 -9.271 1.00 0.00 H new ATOM 469 N THR A 34 -1.347 -2.750 -8.708 1.00 0.00 N ATOM 470 CA THR A 34 -0.011 -2.518 -8.186 1.00 0.00 C ATOM 471 C THR A 34 0.121 -1.079 -7.682 1.00 0.00 C ATOM 472 O THR A 34 -0.043 -0.131 -8.449 1.00 0.00 O ATOM 473 CB THR A 34 0.994 -2.872 -9.283 1.00 0.00 C ATOM 474 OG1 THR A 34 0.885 -4.287 -9.410 1.00 0.00 O ATOM 475 CG2 THR A 34 2.443 -2.648 -8.845 1.00 0.00 C ATOM 0 H THR A 34 -1.382 -2.982 -9.701 1.00 0.00 H new ATOM 0 HA THR A 34 0.192 -3.152 -7.323 1.00 0.00 H new ATOM 0 HB THR A 34 0.787 -2.275 -10.171 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.502 -4.602 -10.103 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.115 -2.915 -9.661 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.586 -1.599 -8.585 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.661 -3.270 -7.977 1.00 0.00 H new ATOM 483 N ILE A 35 0.418 -0.961 -6.396 1.00 0.00 N ATOM 484 CA ILE A 35 0.575 0.345 -5.781 1.00 0.00 C ATOM 485 C ILE A 35 2.058 0.599 -5.503 1.00 0.00 C ATOM 486 O ILE A 35 2.578 0.187 -4.467 1.00 0.00 O ATOM 487 CB ILE A 35 -0.312 0.463 -4.540 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.787 0.268 -4.899 1.00 0.00 C ATOM 489 CG2 ILE A 35 -0.070 1.789 -3.816 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.420 -0.829 -4.040 1.00 0.00 C ATOM 0 H ILE A 35 0.554 -1.749 -5.763 1.00 0.00 H new ATOM 0 HA ILE A 35 0.239 1.128 -6.461 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.040 -0.335 -3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.327 1.204 -4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.877 0.007 -5.953 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.713 1.847 -2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.973 1.849 -3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.297 2.617 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.468 -0.947 -4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.893 -1.769 -4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.350 -0.553 -2.988 1.00 0.00 H new ATOM 502 N ARG A 36 2.696 1.276 -6.446 1.00 0.00 N ATOM 503 CA ARG A 36 4.109 1.590 -6.316 1.00 0.00 C ATOM 504 C ARG A 36 4.308 2.746 -5.334 1.00 0.00 C ATOM 505 O ARG A 36 3.875 3.867 -5.594 1.00 0.00 O ATOM 506 CB ARG A 36 4.716 1.968 -7.668 1.00 0.00 C ATOM 507 CG ARG A 36 4.639 0.798 -8.651 1.00 0.00 C ATOM 508 CD ARG A 36 3.805 1.168 -9.879 1.00 0.00 C ATOM 509 NE ARG A 36 4.444 0.636 -11.103 1.00 0.00 N ATOM 510 CZ ARG A 36 4.158 1.056 -12.343 1.00 0.00 C ATOM 511 NH1 ARG A 36 3.242 2.015 -12.531 1.00 0.00 N ATOM 512 NH2 ARG A 36 4.788 0.516 -13.396 1.00 0.00 N ATOM 0 H ARG A 36 2.261 1.616 -7.303 1.00 0.00 H new ATOM 0 HA ARG A 36 4.613 0.699 -5.941 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.188 2.828 -8.080 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.756 2.266 -7.533 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.644 0.513 -8.962 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.200 -0.069 -8.157 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.797 0.764 -9.780 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.709 2.251 -9.951 1.00 0.00 H new ATOM 0 HE ARG A 36 5.146 -0.096 -10.996 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.762 2.426 -11.730 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.025 2.335 -13.475 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.485 -0.215 -13.253 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.570 0.836 -14.340 1.00 0.00 H new ATOM 526 N VAL A 37 4.963 2.432 -4.225 1.00 0.00 N ATOM 527 CA VAL A 37 5.224 3.431 -3.203 1.00 0.00 C ATOM 528 C VAL A 37 6.687 3.870 -3.287 1.00 0.00 C ATOM 529 O VAL A 37 7.590 3.034 -3.304 1.00 0.00 O ATOM 530 CB VAL A 37 4.842 2.883 -1.826 1.00 0.00 C ATOM 531 CG1 VAL A 37 4.860 3.991 -0.771 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.479 2.190 -1.871 1.00 0.00 C ATOM 0 H VAL A 37 5.320 1.501 -4.013 1.00 0.00 H new ATOM 0 HA VAL A 37 4.609 4.316 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 37 5.587 2.139 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.585 3.575 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.860 4.420 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.148 4.768 -1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.231 1.810 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.718 2.904 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.515 1.362 -2.579 1.00 0.00 H new ATOM 542 N GLY A 38 6.877 5.180 -3.337 1.00 0.00 N ATOM 543 CA GLY A 38 8.215 5.740 -3.419 1.00 0.00 C ATOM 544 C GLY A 38 8.288 7.093 -2.709 1.00 0.00 C ATOM 545 O GLY A 38 7.610 7.309 -1.705 1.00 0.00 O ATOM 0 H GLY A 38 6.126 5.870 -3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.930 5.051 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.500 5.858 -4.464 1.00 0.00 H new ATOM 549 N ARG A 39 9.117 7.970 -3.257 1.00 0.00 N ATOM 550 CA ARG A 39 9.287 9.296 -2.688 1.00 0.00 C ATOM 551 C ARG A 39 8.678 10.352 -3.613 1.00 0.00 C ATOM 552 O ARG A 39 8.026 11.286 -3.149 1.00 0.00 O ATOM 553 CB ARG A 39 10.767 9.614 -2.467 1.00 0.00 C ATOM 554 CG ARG A 39 10.967 11.097 -2.149 1.00 0.00 C ATOM 555 CD ARG A 39 12.385 11.362 -1.638 1.00 0.00 C ATOM 556 NE ARG A 39 13.002 12.465 -2.408 1.00 0.00 N ATOM 557 CZ ARG A 39 14.314 12.736 -2.412 1.00 0.00 C ATOM 558 NH1 ARG A 39 15.156 11.986 -1.687 1.00 0.00 N ATOM 559 NH2 ARG A 39 14.786 13.758 -3.140 1.00 0.00 N ATOM 0 H ARG A 39 9.678 7.788 -4.089 1.00 0.00 H new ATOM 0 HA ARG A 39 8.776 9.313 -1.726 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.155 9.007 -1.649 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.337 9.349 -3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.782 11.692 -3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.241 11.413 -1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.357 11.618 -0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.989 10.459 -1.732 1.00 0.00 H new ATOM 0 HE ARG A 39 12.390 13.056 -2.971 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.798 11.209 -1.132 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.155 12.193 -1.690 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.146 14.330 -3.691 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.785 13.964 -3.143 1.00 0.00 H new ATOM 573 N ILE A 40 8.911 10.168 -4.904 1.00 0.00 N ATOM 574 CA ILE A 40 8.393 11.093 -5.897 1.00 0.00 C ATOM 575 C ILE A 40 7.015 10.618 -6.360 1.00 0.00 C ATOM 576 O ILE A 40 6.772 9.417 -6.470 1.00 0.00 O ATOM 577 CB ILE A 40 9.397 11.272 -7.038 1.00 0.00 C ATOM 578 CG1 ILE A 40 9.744 9.926 -7.679 1.00 0.00 C ATOM 579 CG2 ILE A 40 10.645 12.017 -6.559 1.00 0.00 C ATOM 580 CD1 ILE A 40 10.496 10.124 -8.996 1.00 0.00 C ATOM 0 H ILE A 40 9.452 9.392 -5.285 1.00 0.00 H new ATOM 0 HA ILE A 40 8.260 12.084 -5.462 1.00 0.00 H new ATOM 0 HB ILE A 40 8.932 11.886 -7.809 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.354 9.339 -6.993 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.831 9.359 -7.859 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.342 12.131 -7.389 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.361 13.001 -6.186 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.122 11.450 -5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.731 9.152 -9.431 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.874 10.691 -9.689 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.420 10.670 -8.809 1.00 0.00 H new ATOM 653 N GLU A 45 2.921 5.297 -7.388 1.00 0.00 N ATOM 654 CA GLU A 45 1.577 5.730 -7.042 1.00 0.00 C ATOM 655 C GLU A 45 1.610 6.619 -5.797 1.00 0.00 C ATOM 656 O GLU A 45 1.219 7.783 -5.850 1.00 0.00 O ATOM 657 CB GLU A 45 0.651 4.531 -6.835 1.00 0.00 C ATOM 658 CG GLU A 45 0.294 3.877 -8.172 1.00 0.00 C ATOM 659 CD GLU A 45 -0.247 4.912 -9.161 1.00 0.00 C ATOM 660 OE1 GLU A 45 -1.033 5.772 -8.709 1.00 0.00 O ATOM 661 OE2 GLU A 45 0.138 4.818 -10.346 1.00 0.00 O ATOM 0 HA GLU A 45 1.180 6.315 -7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.135 3.801 -6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.259 4.853 -6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.176 3.394 -8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.451 3.097 -8.012 1.00 0.00 H new ATOM 668 N ILE A 46 2.082 6.035 -4.705 1.00 0.00 N ATOM 669 CA ILE A 46 2.171 6.759 -3.448 1.00 0.00 C ATOM 670 C ILE A 46 3.581 7.331 -3.293 1.00 0.00 C ATOM 671 O ILE A 46 4.562 6.676 -3.642 1.00 0.00 O ATOM 672 CB ILE A 46 1.737 5.866 -2.283 1.00 0.00 C ATOM 673 CG1 ILE A 46 0.291 5.399 -2.459 1.00 0.00 C ATOM 674 CG2 ILE A 46 1.953 6.571 -0.943 1.00 0.00 C ATOM 675 CD1 ILE A 46 -0.041 4.266 -1.487 1.00 0.00 C ATOM 0 H ILE A 46 2.407 5.069 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 46 1.482 7.604 -3.445 1.00 0.00 H new ATOM 0 HB ILE A 46 2.365 4.975 -2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.388 6.236 -2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.136 5.061 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.637 5.915 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.010 6.811 -0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.367 7.490 -0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.075 3.953 -1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.624 3.422 -1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.091 4.615 -0.463 1.00 0.00 H new ATOM 687 N ALA A 47 3.638 8.546 -2.769 1.00 0.00 N ATOM 688 CA ALA A 47 4.912 9.213 -2.563 1.00 0.00 C ATOM 689 C ALA A 47 4.949 9.811 -1.155 1.00 0.00 C ATOM 690 O ALA A 47 3.924 10.249 -0.635 1.00 0.00 O ATOM 691 CB ALA A 47 5.116 10.271 -3.650 1.00 0.00 C ATOM 0 H ALA A 47 2.822 9.086 -2.481 1.00 0.00 H new ATOM 0 HA ALA A 47 5.734 8.501 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.072 10.772 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.111 9.792 -4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.311 11.004 -3.600 1.00 0.00 H new ATOM 697 N ILE A 48 6.141 9.808 -0.576 1.00 0.00 N ATOM 698 CA ILE A 48 6.325 10.344 0.762 1.00 0.00 C ATOM 699 C ILE A 48 7.599 11.191 0.797 1.00 0.00 C ATOM 700 O ILE A 48 8.691 10.687 0.538 1.00 0.00 O ATOM 701 CB ILE A 48 6.306 9.218 1.797 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.934 8.543 1.848 1.00 0.00 C ATOM 703 CG2 ILE A 48 6.745 9.729 3.171 1.00 0.00 C ATOM 704 CD1 ILE A 48 5.055 7.088 2.308 1.00 0.00 C ATOM 0 H ILE A 48 6.989 9.443 -1.009 1.00 0.00 H new ATOM 0 HA ILE A 48 5.497 11.002 1.026 1.00 0.00 H new ATOM 0 HB ILE A 48 7.026 8.460 1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.281 9.090 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.470 8.579 0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.723 8.909 3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.758 10.126 3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.067 10.517 3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.066 6.632 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.689 6.538 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.497 7.057 3.304 1.00 0.00 H new ATOM 716 N LYS A 49 7.417 12.463 1.119 1.00 0.00 N ATOM 717 CA LYS A 49 8.538 13.384 1.192 1.00 0.00 C ATOM 718 C LYS A 49 9.135 13.344 2.600 1.00 0.00 C ATOM 719 O LYS A 49 9.028 14.313 3.351 1.00 0.00 O ATOM 720 CB LYS A 49 8.112 14.783 0.744 1.00 0.00 C ATOM 721 CG LYS A 49 7.797 14.808 -0.753 1.00 0.00 C ATOM 722 CD LYS A 49 8.810 15.667 -1.513 1.00 0.00 C ATOM 723 CE LYS A 49 10.191 15.008 -1.521 1.00 0.00 C ATOM 724 NZ LYS A 49 11.256 16.036 -1.517 1.00 0.00 N ATOM 0 H LYS A 49 6.510 12.878 1.332 1.00 0.00 H new ATOM 0 HA LYS A 49 9.326 13.080 0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.235 15.098 1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.906 15.497 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.808 13.792 -1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.792 15.200 -0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.469 15.817 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.876 16.652 -1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.297 14.362 -0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.293 14.374 -2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.187 15.572 -1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.163 16.635 -2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.168 16.624 -0.664 1.00 0.00 H new ATOM 738 N ASP A 50 9.752 12.215 2.915 1.00 0.00 N ATOM 739 CA ASP A 50 10.366 12.036 4.220 1.00 0.00 C ATOM 740 C ASP A 50 11.866 11.793 4.044 1.00 0.00 C ATOM 741 O ASP A 50 12.598 11.671 5.025 1.00 0.00 O ATOM 742 CB ASP A 50 9.773 10.828 4.947 1.00 0.00 C ATOM 743 CG ASP A 50 10.684 10.197 6.003 1.00 0.00 C ATOM 744 OD1 ASP A 50 10.665 10.705 7.145 1.00 0.00 O ATOM 745 OD2 ASP A 50 11.379 9.222 5.643 1.00 0.00 O ATOM 0 H ASP A 50 9.840 11.415 2.289 1.00 0.00 H new ATOM 0 HA ASP A 50 10.180 12.936 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.843 11.132 5.427 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.517 10.068 4.209 1.00 0.00 H new ATOM 750 N ALA A 51 12.279 11.731 2.787 1.00 0.00 N ATOM 751 CA ALA A 51 13.679 11.505 2.469 1.00 0.00 C ATOM 752 C ALA A 51 13.988 10.010 2.580 1.00 0.00 C ATOM 753 O ALA A 51 14.380 9.380 1.600 1.00 0.00 O ATOM 754 CB ALA A 51 14.556 12.351 3.395 1.00 0.00 C ATOM 0 H ALA A 51 11.669 11.833 1.976 1.00 0.00 H new ATOM 0 HA ALA A 51 13.894 11.812 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.606 12.182 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 51 14.318 13.406 3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 51 14.369 12.069 4.431 1.00 0.00 H new ATOM 760 N GLY A 52 13.798 9.487 3.783 1.00 0.00 N ATOM 761 CA GLY A 52 14.051 8.079 4.035 1.00 0.00 C ATOM 762 C GLY A 52 13.578 7.218 2.861 1.00 0.00 C ATOM 763 O GLY A 52 14.128 6.147 2.612 1.00 0.00 O ATOM 0 H GLY A 52 13.472 10.014 4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.117 7.921 4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.538 7.771 4.946 1.00 0.00 H new ATOM 767 N ILE A 53 12.564 7.720 2.173 1.00 0.00 N ATOM 768 CA ILE A 53 12.010 7.011 1.032 1.00 0.00 C ATOM 769 C ILE A 53 12.680 7.512 -0.249 1.00 0.00 C ATOM 770 O ILE A 53 12.936 8.707 -0.393 1.00 0.00 O ATOM 771 CB ILE A 53 10.485 7.130 1.015 1.00 0.00 C ATOM 772 CG1 ILE A 53 9.885 6.674 2.347 1.00 0.00 C ATOM 773 CG2 ILE A 53 9.889 6.371 -0.172 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.961 7.747 2.928 1.00 0.00 C ATOM 0 H ILE A 53 12.111 8.609 2.383 1.00 0.00 H new ATOM 0 HA ILE A 53 12.222 5.945 1.107 1.00 0.00 H new ATOM 0 HB ILE A 53 10.226 8.181 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.327 5.749 2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.685 6.456 3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.804 6.472 -0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.282 6.783 -1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.156 5.317 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.548 7.398 3.874 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.527 8.663 3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.149 7.945 2.229 1.00 0.00 H new ATOM 786 N SER A 54 12.945 6.574 -1.147 1.00 0.00 N ATOM 787 CA SER A 54 13.580 6.906 -2.411 1.00 0.00 C ATOM 788 C SER A 54 12.571 6.777 -3.554 1.00 0.00 C ATOM 789 O SER A 54 11.531 6.138 -3.399 1.00 0.00 O ATOM 790 CB SER A 54 14.793 6.011 -2.670 1.00 0.00 C ATOM 791 OG SER A 54 16.018 6.668 -2.358 1.00 0.00 O ATOM 0 H SER A 54 12.731 5.584 -1.024 1.00 0.00 H new ATOM 0 HA SER A 54 13.929 7.937 -2.358 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.707 5.103 -2.074 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.802 5.706 -3.716 1.00 0.00 H new ATOM 0 HG SER A 54 16.768 6.063 -2.535 1.00 0.00 H new ATOM 797 N THR A 55 12.913 7.393 -4.675 1.00 0.00 N ATOM 798 CA THR A 55 12.050 7.354 -5.844 1.00 0.00 C ATOM 799 C THR A 55 11.407 5.973 -5.986 1.00 0.00 C ATOM 800 O THR A 55 10.189 5.838 -5.879 1.00 0.00 O ATOM 801 CB THR A 55 12.882 7.766 -7.060 1.00 0.00 C ATOM 802 OG1 THR A 55 14.135 7.116 -6.860 1.00 0.00 O ATOM 803 CG2 THR A 55 13.230 9.256 -7.054 1.00 0.00 C ATOM 0 H THR A 55 13.776 7.922 -4.799 1.00 0.00 H new ATOM 0 HA THR A 55 11.221 8.055 -5.748 1.00 0.00 H new ATOM 0 HB THR A 55 12.336 7.525 -7.972 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.736 7.328 -7.605 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.821 9.495 -7.938 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.312 9.844 -7.061 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.805 9.492 -6.159 1.00 0.00 H new ATOM 811 N LYS A 56 12.254 4.983 -6.226 1.00 0.00 N ATOM 812 CA LYS A 56 11.784 3.618 -6.385 1.00 0.00 C ATOM 813 C LYS A 56 12.163 2.805 -5.145 1.00 0.00 C ATOM 814 O LYS A 56 13.028 1.932 -5.211 1.00 0.00 O ATOM 815 CB LYS A 56 12.304 3.021 -7.694 1.00 0.00 C ATOM 816 CG LYS A 56 11.260 3.144 -8.806 1.00 0.00 C ATOM 817 CD LYS A 56 11.612 4.283 -9.765 1.00 0.00 C ATOM 818 CE LYS A 56 10.409 5.201 -9.990 1.00 0.00 C ATOM 819 NZ LYS A 56 10.530 5.904 -11.287 1.00 0.00 N ATOM 0 H LYS A 56 13.263 5.099 -6.314 1.00 0.00 H new ATOM 0 HA LYS A 56 10.697 3.596 -6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.220 3.531 -7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.558 1.972 -7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.198 2.206 -9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.277 3.322 -8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.444 4.860 -9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.943 3.871 -10.718 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.489 4.616 -9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.342 5.928 -9.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.706 6.523 -11.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.398 6.477 -11.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.572 5.207 -12.057 1.00 0.00 H new ATOM 833 N HIS A 57 11.498 3.121 -4.044 1.00 0.00 N ATOM 834 CA HIS A 57 11.755 2.431 -2.791 1.00 0.00 C ATOM 835 C HIS A 57 11.255 0.988 -2.888 1.00 0.00 C ATOM 836 O HIS A 57 12.044 0.048 -2.812 1.00 0.00 O ATOM 837 CB HIS A 57 11.141 3.194 -1.615 1.00 0.00 C ATOM 838 CG HIS A 57 11.432 2.581 -0.266 1.00 0.00 C ATOM 839 ND1 HIS A 57 11.805 3.333 0.834 1.00 0.00 N ATOM 840 CD2 HIS A 57 11.401 1.282 0.148 1.00 0.00 C ATOM 841 CE1 HIS A 57 11.988 2.513 1.859 1.00 0.00 C ATOM 842 NE2 HIS A 57 11.738 1.242 1.431 1.00 0.00 N ATOM 0 H HIS A 57 10.782 3.845 -3.993 1.00 0.00 H new ATOM 0 HA HIS A 57 12.828 2.395 -2.605 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.514 4.218 -1.625 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.061 3.247 -1.753 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.145 0.430 -0.465 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.283 2.800 2.857 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.800 0.400 2.003 1.00 0.00 H new ATOM 850 N LEU A 58 9.947 0.859 -3.054 1.00 0.00 N ATOM 851 CA LEU A 58 9.332 -0.453 -3.162 1.00 0.00 C ATOM 852 C LEU A 58 8.010 -0.331 -3.922 1.00 0.00 C ATOM 853 O LEU A 58 7.551 0.775 -4.204 1.00 0.00 O ATOM 854 CB LEU A 58 9.189 -1.093 -1.780 1.00 0.00 C ATOM 855 CG LEU A 58 8.487 -0.246 -0.717 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.226 0.409 -1.284 1.00 0.00 C ATOM 857 CD2 LEU A 58 8.189 -1.073 0.535 1.00 0.00 C ATOM 0 H LEU A 58 9.296 1.642 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 58 9.969 -1.126 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.641 -2.029 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.184 -1.347 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 58 9.162 0.557 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.746 1.005 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.495 1.052 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.537 -0.363 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.690 -0.447 1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.542 -1.910 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.122 -1.452 0.951 1.00 0.00 H new ATOM 869 N ARG A 59 7.434 -1.483 -4.233 1.00 0.00 N ATOM 870 CA ARG A 59 6.174 -1.519 -4.955 1.00 0.00 C ATOM 871 C ARG A 59 5.222 -2.530 -4.311 1.00 0.00 C ATOM 872 O ARG A 59 5.647 -3.598 -3.874 1.00 0.00 O ATOM 873 CB ARG A 59 6.390 -1.896 -6.422 1.00 0.00 C ATOM 874 CG ARG A 59 6.592 -3.405 -6.576 1.00 0.00 C ATOM 875 CD ARG A 59 7.219 -3.738 -7.932 1.00 0.00 C ATOM 876 NE ARG A 59 8.128 -4.898 -7.798 1.00 0.00 N ATOM 877 CZ ARG A 59 8.810 -5.440 -8.816 1.00 0.00 C ATOM 878 NH1 ARG A 59 8.689 -4.931 -10.050 1.00 0.00 N ATOM 879 NH2 ARG A 59 9.613 -6.491 -8.601 1.00 0.00 N ATOM 0 H ARG A 59 7.817 -2.399 -3.998 1.00 0.00 H new ATOM 0 HA ARG A 59 5.737 -0.522 -4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.531 -1.578 -7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.259 -1.367 -6.813 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.232 -3.774 -5.775 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.634 -3.916 -6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.437 -3.960 -8.659 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.769 -2.876 -8.309 1.00 0.00 H new ATOM 0 HE ARG A 59 8.243 -5.311 -6.872 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.078 -4.131 -10.214 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.208 -5.344 -10.825 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.705 -6.879 -7.662 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.132 -6.903 -9.376 1.00 0.00 H new ATOM 893 N ILE A 60 3.951 -2.156 -4.273 1.00 0.00 N ATOM 894 CA ILE A 60 2.935 -3.016 -3.690 1.00 0.00 C ATOM 895 C ILE A 60 2.098 -3.639 -4.809 1.00 0.00 C ATOM 896 O ILE A 60 1.768 -2.972 -5.788 1.00 0.00 O ATOM 897 CB ILE A 60 2.109 -2.246 -2.659 1.00 0.00 C ATOM 898 CG1 ILE A 60 2.972 -1.826 -1.467 1.00 0.00 C ATOM 899 CG2 ILE A 60 0.884 -3.053 -2.224 1.00 0.00 C ATOM 900 CD1 ILE A 60 2.183 -0.934 -0.506 1.00 0.00 C ATOM 0 H ILE A 60 3.602 -1.269 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 60 3.398 -3.837 -3.143 1.00 0.00 H new ATOM 0 HB ILE A 60 1.743 -1.333 -3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.325 -2.712 -0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.854 -1.293 -1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.314 -2.482 -1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.257 -3.258 -3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.207 -3.994 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.819 -0.650 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.852 -0.038 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.315 -1.478 -0.134 1.00 0.00 H new ATOM 912 N GLU A 61 1.777 -4.912 -4.625 1.00 0.00 N ATOM 913 CA GLU A 61 0.984 -5.632 -5.607 1.00 0.00 C ATOM 914 C GLU A 61 0.201 -6.760 -4.932 1.00 0.00 C ATOM 915 O GLU A 61 0.469 -7.105 -3.782 1.00 0.00 O ATOM 916 CB GLU A 61 1.866 -6.175 -6.733 1.00 0.00 C ATOM 917 CG GLU A 61 2.920 -7.140 -6.187 1.00 0.00 C ATOM 918 CD GLU A 61 2.468 -8.593 -6.346 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.333 -8.885 -5.912 1.00 0.00 O ATOM 920 OE2 GLU A 61 3.268 -9.379 -6.899 1.00 0.00 O ATOM 0 H GLU A 61 2.052 -5.462 -3.811 1.00 0.00 H new ATOM 0 HA GLU A 61 0.272 -4.936 -6.051 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.247 -6.686 -7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.356 -5.348 -7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.863 -6.989 -6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.104 -6.926 -5.134 1.00 0.00 H new ATOM 927 N SER A 62 -0.752 -7.303 -5.675 1.00 0.00 N ATOM 928 CA SER A 62 -1.576 -8.385 -5.163 1.00 0.00 C ATOM 929 C SER A 62 -1.504 -9.589 -6.105 1.00 0.00 C ATOM 930 O SER A 62 -1.487 -9.427 -7.324 1.00 0.00 O ATOM 931 CB SER A 62 -3.027 -7.935 -4.986 1.00 0.00 C ATOM 932 OG SER A 62 -3.946 -9.009 -5.174 1.00 0.00 O ATOM 0 H SER A 62 -0.972 -7.014 -6.628 1.00 0.00 H new ATOM 0 HA SER A 62 -1.192 -8.674 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.158 -7.517 -3.988 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.249 -7.139 -5.697 1.00 0.00 H new ATOM 0 HG SER A 62 -3.906 -9.612 -4.403 1.00 0.00 H new ATOM 938 N ASP A 63 -1.464 -10.768 -5.503 1.00 0.00 N ATOM 939 CA ASP A 63 -1.395 -11.999 -6.273 1.00 0.00 C ATOM 940 C ASP A 63 -2.188 -13.091 -5.553 1.00 0.00 C ATOM 941 O ASP A 63 -2.454 -12.984 -4.357 1.00 0.00 O ATOM 942 CB ASP A 63 0.051 -12.479 -6.414 1.00 0.00 C ATOM 943 CG ASP A 63 0.208 -13.925 -6.890 1.00 0.00 C ATOM 944 OD1 ASP A 63 0.129 -14.129 -8.121 1.00 0.00 O ATOM 945 OD2 ASP A 63 0.404 -14.793 -6.013 1.00 0.00 O ATOM 0 H ASP A 63 -1.478 -10.898 -4.491 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.808 -11.802 -7.262 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.569 -11.823 -7.114 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.549 -12.373 -5.450 1.00 0.00 H new ATOM 950 N SER A 64 -2.544 -14.117 -6.312 1.00 0.00 N ATOM 951 CA SER A 64 -3.302 -15.228 -5.761 1.00 0.00 C ATOM 952 C SER A 64 -4.380 -14.706 -4.811 1.00 0.00 C ATOM 953 O SER A 64 -4.431 -15.099 -3.646 1.00 0.00 O ATOM 954 CB SER A 64 -2.385 -16.213 -5.034 1.00 0.00 C ATOM 955 OG SER A 64 -2.658 -17.564 -5.395 1.00 0.00 O ATOM 0 H SER A 64 -2.322 -14.202 -7.304 1.00 0.00 H new ATOM 0 HA SER A 64 -3.779 -15.758 -6.585 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.346 -15.979 -5.265 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.506 -16.094 -3.957 1.00 0.00 H new ATOM 0 HG SER A 64 -2.050 -18.161 -4.911 1.00 0.00 H new ATOM 961 N GLY A 65 -5.217 -13.827 -5.342 1.00 0.00 N ATOM 962 CA GLY A 65 -6.292 -13.246 -4.556 1.00 0.00 C ATOM 963 C GLY A 65 -5.794 -12.828 -3.171 1.00 0.00 C ATOM 964 O GLY A 65 -6.455 -13.085 -2.166 1.00 0.00 O ATOM 0 H GLY A 65 -5.172 -13.503 -6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.701 -12.380 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.103 -13.967 -4.453 1.00 0.00 H new ATOM 968 N ASN A 66 -4.633 -12.190 -3.163 1.00 0.00 N ATOM 969 CA ASN A 66 -4.038 -11.733 -1.918 1.00 0.00 C ATOM 970 C ASN A 66 -3.108 -10.553 -2.205 1.00 0.00 C ATOM 971 O ASN A 66 -2.784 -10.279 -3.360 1.00 0.00 O ATOM 972 CB ASN A 66 -3.209 -12.841 -1.265 1.00 0.00 C ATOM 973 CG ASN A 66 -4.104 -13.815 -0.496 1.00 0.00 C ATOM 974 OD1 ASN A 66 -4.998 -13.428 0.239 1.00 0.00 O ATOM 975 ND2 ASN A 66 -3.815 -15.096 -0.705 1.00 0.00 N ATOM 0 H ASN A 66 -4.088 -11.979 -3.999 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.845 -11.442 -1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.651 -13.381 -2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.477 -12.401 -0.587 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.355 -15.824 -0.237 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.053 -15.351 -1.333 1.00 0.00 H new ATOM 982 N TRP A 67 -2.704 -9.885 -1.134 1.00 0.00 N ATOM 983 CA TRP A 67 -1.817 -8.741 -1.256 1.00 0.00 C ATOM 984 C TRP A 67 -0.424 -9.171 -0.794 1.00 0.00 C ATOM 985 O TRP A 67 -0.293 -10.005 0.100 1.00 0.00 O ATOM 986 CB TRP A 67 -2.361 -7.540 -0.479 1.00 0.00 C ATOM 987 CG TRP A 67 -3.630 -6.933 -1.080 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.904 -7.211 -0.772 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.696 -5.926 -2.112 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.783 -6.461 -1.527 1.00 0.00 N ATOM 991 CE2 TRP A 67 -5.025 -5.655 -2.368 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.667 -5.267 -2.807 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.447 -4.719 -3.320 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -3.105 -4.335 -3.756 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.439 -4.050 -4.025 1.00 0.00 C ATOM 0 H TRP A 67 -2.975 -10.115 -0.178 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.753 -8.412 -2.293 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.568 -7.847 0.546 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.590 -6.771 -0.432 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.205 -7.932 -0.026 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.801 -6.493 -1.477 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.621 -5.464 -2.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.494 -4.524 -3.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.354 -3.800 -4.318 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.697 -3.316 -4.774 1.00 0.00 H new ATOM 1006 N VAL A 68 0.582 -8.581 -1.424 1.00 0.00 N ATOM 1007 CA VAL A 68 1.961 -8.893 -1.088 1.00 0.00 C ATOM 1008 C VAL A 68 2.804 -7.619 -1.180 1.00 0.00 C ATOM 1009 O VAL A 68 2.440 -6.679 -1.885 1.00 0.00 O ATOM 1010 CB VAL A 68 2.477 -10.018 -1.987 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.418 -11.108 -2.165 1.00 0.00 C ATOM 1012 CG2 VAL A 68 2.934 -9.471 -3.341 1.00 0.00 C ATOM 0 H VAL A 68 0.469 -7.889 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 68 2.032 -9.257 -0.063 1.00 0.00 H new ATOM 0 HB VAL A 68 3.341 -10.468 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.811 -11.895 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.161 -11.528 -1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.526 -10.678 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.296 -10.291 -3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.096 -8.983 -3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.736 -8.749 -3.190 1.00 0.00 H new ATOM 1022 N ILE A 69 3.915 -7.630 -0.458 1.00 0.00 N ATOM 1023 CA ILE A 69 4.812 -6.487 -0.449 1.00 0.00 C ATOM 1024 C ILE A 69 6.227 -6.953 -0.800 1.00 0.00 C ATOM 1025 O ILE A 69 6.638 -8.047 -0.415 1.00 0.00 O ATOM 1026 CB ILE A 69 4.723 -5.746 0.886 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.475 -4.415 0.825 1.00 0.00 C ATOM 1028 CG2 ILE A 69 5.210 -6.628 2.037 1.00 0.00 C ATOM 1029 CD1 ILE A 69 4.647 -3.288 1.447 1.00 0.00 C ATOM 0 H ILE A 69 4.214 -8.412 0.125 1.00 0.00 H new ATOM 0 HA ILE A 69 4.515 -5.764 -1.209 1.00 0.00 H new ATOM 0 HB ILE A 69 3.675 -5.515 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.425 -4.506 1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.707 -4.171 -0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.136 -6.077 2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.593 -7.525 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.248 -6.912 1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.205 -2.353 1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.708 -3.184 0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.438 -3.523 2.491 1.00 0.00 H new ATOM 1041 N GLN A 70 6.933 -6.100 -1.527 1.00 0.00 N ATOM 1042 CA GLN A 70 8.293 -6.410 -1.934 1.00 0.00 C ATOM 1043 C GLN A 70 9.163 -5.152 -1.883 1.00 0.00 C ATOM 1044 O GLN A 70 8.820 -4.132 -2.478 1.00 0.00 O ATOM 1045 CB GLN A 70 8.318 -7.038 -3.329 1.00 0.00 C ATOM 1046 CG GLN A 70 9.755 -7.225 -3.820 1.00 0.00 C ATOM 1047 CD GLN A 70 9.784 -7.963 -5.160 1.00 0.00 C ATOM 1048 OE1 GLN A 70 8.923 -7.798 -6.008 1.00 0.00 O ATOM 1049 NE2 GLN A 70 10.821 -8.784 -5.303 1.00 0.00 N ATOM 0 H GLN A 70 6.589 -5.194 -1.845 1.00 0.00 H new ATOM 0 HA GLN A 70 8.703 -7.140 -1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.809 -8.002 -3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.771 -6.404 -4.027 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.237 -6.253 -3.925 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.326 -7.785 -3.080 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.506 -8.875 -4.553 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.931 -9.322 -6.163 1.00 0.00 H new ATOM 1058 N ASP A 71 10.271 -5.266 -1.166 1.00 0.00 N ATOM 1059 CA ASP A 71 11.192 -4.151 -1.030 1.00 0.00 C ATOM 1060 C ASP A 71 12.139 -4.127 -2.231 1.00 0.00 C ATOM 1061 O ASP A 71 12.991 -5.003 -2.372 1.00 0.00 O ATOM 1062 CB ASP A 71 12.039 -4.288 0.237 1.00 0.00 C ATOM 1063 CG ASP A 71 13.362 -3.520 0.216 1.00 0.00 C ATOM 1064 OD1 ASP A 71 14.305 -4.030 -0.426 1.00 0.00 O ATOM 1065 OD2 ASP A 71 13.401 -2.440 0.844 1.00 0.00 O ATOM 0 H ASP A 71 10.552 -6.114 -0.673 1.00 0.00 H new ATOM 0 HA ASP A 71 10.605 -3.234 -0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.451 -3.945 1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.252 -5.344 0.401 1.00 0.00 H new ATOM 1070 N LEU A 72 11.958 -3.115 -3.067 1.00 0.00 N ATOM 1071 CA LEU A 72 12.785 -2.965 -4.252 1.00 0.00 C ATOM 1072 C LEU A 72 14.171 -2.465 -3.841 1.00 0.00 C ATOM 1073 O LEU A 72 14.625 -1.424 -4.313 1.00 0.00 O ATOM 1074 CB LEU A 72 12.090 -2.072 -5.281 1.00 0.00 C ATOM 1075 CG LEU A 72 10.838 -2.656 -5.939 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.086 -3.571 -4.971 1.00 0.00 C ATOM 1077 CD2 LEU A 72 9.941 -1.546 -6.492 1.00 0.00 C ATOM 0 H LEU A 72 11.250 -2.391 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 72 12.925 -3.928 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.817 -1.135 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.808 -1.828 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 72 11.151 -3.269 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.201 -3.973 -5.464 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.736 -4.392 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.785 -3.002 -4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.058 -1.988 -6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.634 -0.888 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.491 -0.971 -7.237 1.00 0.00 H new ATOM 1089 N GLY A 73 14.805 -3.231 -2.965 1.00 0.00 N ATOM 1090 CA GLY A 73 16.131 -2.879 -2.485 1.00 0.00 C ATOM 1091 C GLY A 73 16.309 -1.360 -2.430 1.00 0.00 C ATOM 1092 O GLY A 73 17.235 -0.818 -3.032 1.00 0.00 O ATOM 0 H GLY A 73 14.425 -4.094 -2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.287 -3.303 -1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.886 -3.314 -3.140 1.00 0.00 H new ATOM 1096 N SER A 74 15.407 -0.717 -1.703 1.00 0.00 N ATOM 1097 CA SER A 74 15.453 0.729 -1.562 1.00 0.00 C ATOM 1098 C SER A 74 16.857 1.170 -1.145 1.00 0.00 C ATOM 1099 O SER A 74 17.669 1.551 -1.987 1.00 0.00 O ATOM 1100 CB SER A 74 14.419 1.216 -0.545 1.00 0.00 C ATOM 1101 OG SER A 74 14.735 2.512 -0.042 1.00 0.00 O ATOM 0 H SER A 74 14.640 -1.170 -1.206 1.00 0.00 H new ATOM 0 HA SER A 74 15.211 1.175 -2.527 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.434 1.238 -1.011 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.364 0.509 0.283 1.00 0.00 H new ATOM 0 HG SER A 74 13.908 2.985 0.186 1.00 0.00 H new ATOM 1139 N THR A 78 12.668 -2.250 4.271 1.00 0.00 N ATOM 1140 CA THR A 78 11.287 -2.085 4.691 1.00 0.00 C ATOM 1141 C THR A 78 10.977 -2.999 5.878 1.00 0.00 C ATOM 1142 O THR A 78 11.410 -4.150 5.909 1.00 0.00 O ATOM 1143 CB THR A 78 10.391 -2.340 3.477 1.00 0.00 C ATOM 1144 OG1 THR A 78 10.889 -1.448 2.484 1.00 0.00 O ATOM 1145 CG2 THR A 78 8.950 -1.877 3.706 1.00 0.00 C ATOM 0 HA THR A 78 11.099 -1.071 5.045 1.00 0.00 H new ATOM 0 HB THR A 78 10.397 -3.403 3.238 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.869 -1.465 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.356 -2.081 2.815 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.526 -2.413 4.555 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.940 -0.807 3.912 1.00 0.00 H new ATOM 1153 N LEU A 79 10.231 -2.452 6.826 1.00 0.00 N ATOM 1154 CA LEU A 79 9.858 -3.204 8.012 1.00 0.00 C ATOM 1155 C LEU A 79 8.362 -3.518 7.963 1.00 0.00 C ATOM 1156 O LEU A 79 7.568 -2.702 7.497 1.00 0.00 O ATOM 1157 CB LEU A 79 10.289 -2.458 9.277 1.00 0.00 C ATOM 1158 CG LEU A 79 11.738 -2.670 9.721 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.119 -1.692 10.833 1.00 0.00 C ATOM 1160 CD2 LEU A 79 11.978 -4.125 10.130 1.00 0.00 C ATOM 0 H LEU A 79 9.875 -1.497 6.797 1.00 0.00 H new ATOM 0 HA LEU A 79 10.383 -4.159 8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.131 -1.391 9.117 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.632 -2.758 10.093 1.00 0.00 H new ATOM 0 HG LEU A 79 12.390 -2.462 8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.154 -1.864 11.130 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.011 -0.670 10.471 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.465 -1.844 11.691 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.015 -4.249 10.441 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.317 -4.384 10.957 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.773 -4.780 9.283 1.00 0.00 H new ATOM 1172 N LEU A 80 8.021 -4.702 8.450 1.00 0.00 N ATOM 1173 CA LEU A 80 6.634 -5.133 8.467 1.00 0.00 C ATOM 1174 C LEU A 80 6.258 -5.572 9.884 1.00 0.00 C ATOM 1175 O LEU A 80 6.691 -6.627 10.347 1.00 0.00 O ATOM 1176 CB LEU A 80 6.394 -6.209 7.407 1.00 0.00 C ATOM 1177 CG LEU A 80 4.933 -6.575 7.140 1.00 0.00 C ATOM 1178 CD1 LEU A 80 4.138 -5.353 6.676 1.00 0.00 C ATOM 1179 CD2 LEU A 80 4.830 -7.736 6.149 1.00 0.00 C ATOM 0 H LEU A 80 8.682 -5.376 8.836 1.00 0.00 H new ATOM 0 HA LEU A 80 5.975 -4.306 8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.841 -5.874 6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.925 -7.112 7.708 1.00 0.00 H new ATOM 0 HG LEU A 80 4.489 -6.912 8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.103 -5.641 6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.170 -4.584 7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.574 -4.963 5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.781 -7.976 5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.296 -7.452 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.339 -8.609 6.557 1.00 0.00 H new ATOM 1191 N ASN A 81 5.458 -4.740 10.534 1.00 0.00 N ATOM 1192 CA ASN A 81 5.019 -5.029 11.889 1.00 0.00 C ATOM 1193 C ASN A 81 6.233 -5.046 12.821 1.00 0.00 C ATOM 1194 O ASN A 81 6.447 -4.105 13.584 1.00 0.00 O ATOM 1195 CB ASN A 81 4.343 -6.399 11.969 1.00 0.00 C ATOM 1196 CG ASN A 81 3.006 -6.395 11.225 1.00 0.00 C ATOM 1197 OD1 ASN A 81 2.048 -5.752 11.620 1.00 0.00 O ATOM 1198 ND2 ASN A 81 2.996 -7.147 10.128 1.00 0.00 N ATOM 0 H ASN A 81 5.102 -3.866 10.148 1.00 0.00 H new ATOM 0 HA ASN A 81 4.307 -4.258 12.184 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.999 -7.158 11.542 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.182 -6.668 13.013 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.151 -7.210 9.561 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.834 -7.660 9.854 1.00 0.00 H new ATOM 1205 N SER A 82 6.995 -6.125 12.728 1.00 0.00 N ATOM 1206 CA SER A 82 8.181 -6.277 13.553 1.00 0.00 C ATOM 1207 C SER A 82 9.163 -7.242 12.886 1.00 0.00 C ATOM 1208 O SER A 82 9.677 -8.155 13.531 1.00 0.00 O ATOM 1209 CB SER A 82 7.818 -6.773 14.954 1.00 0.00 C ATOM 1210 OG SER A 82 8.042 -5.776 15.948 1.00 0.00 O ATOM 0 H SER A 82 6.814 -6.903 12.094 1.00 0.00 H new ATOM 0 HA SER A 82 8.654 -5.300 13.654 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.771 -7.074 14.972 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.408 -7.659 15.189 1.00 0.00 H new ATOM 0 HG SER A 82 7.797 -6.131 16.828 1.00 0.00 H new ATOM 1216 N ASN A 83 9.393 -7.008 11.602 1.00 0.00 N ATOM 1217 CA ASN A 83 10.304 -7.846 10.841 1.00 0.00 C ATOM 1218 C ASN A 83 10.774 -7.084 9.600 1.00 0.00 C ATOM 1219 O ASN A 83 9.980 -6.414 8.940 1.00 0.00 O ATOM 1220 CB ASN A 83 9.613 -9.128 10.374 1.00 0.00 C ATOM 1221 CG ASN A 83 10.075 -10.331 11.200 1.00 0.00 C ATOM 1222 OD1 ASN A 83 10.861 -11.154 10.760 1.00 0.00 O ATOM 1223 ND2 ASN A 83 9.544 -10.387 12.418 1.00 0.00 N ATOM 0 H ASN A 83 8.964 -6.251 11.070 1.00 0.00 H new ATOM 0 HA ASN A 83 11.144 -8.103 11.486 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.532 -9.016 10.461 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.831 -9.300 9.320 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.789 -11.152 13.046 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.892 -9.665 12.724 1.00 0.00 H new ATOM 1230 N ALA A 84 12.063 -7.211 9.319 1.00 0.00 N ATOM 1231 CA ALA A 84 12.648 -6.543 8.169 1.00 0.00 C ATOM 1232 C ALA A 84 12.403 -7.386 6.916 1.00 0.00 C ATOM 1233 O ALA A 84 12.765 -8.560 6.873 1.00 0.00 O ATOM 1234 CB ALA A 84 14.136 -6.296 8.424 1.00 0.00 C ATOM 0 H ALA A 84 12.719 -7.767 9.868 1.00 0.00 H new ATOM 0 HA ALA A 84 12.179 -5.572 8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.575 -5.795 7.561 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.255 -5.668 9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.640 -7.249 8.586 1.00 0.00 H new ATOM 1240 N LEU A 85 11.790 -6.753 5.926 1.00 0.00 N ATOM 1241 CA LEU A 85 11.493 -7.430 4.675 1.00 0.00 C ATOM 1242 C LEU A 85 12.787 -7.614 3.880 1.00 0.00 C ATOM 1243 O LEU A 85 13.825 -7.058 4.239 1.00 0.00 O ATOM 1244 CB LEU A 85 10.401 -6.683 3.908 1.00 0.00 C ATOM 1245 CG LEU A 85 9.116 -6.389 4.686 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.223 -5.412 3.920 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.380 -7.683 5.039 1.00 0.00 C ATOM 0 H LEU A 85 11.491 -5.779 5.965 1.00 0.00 H new ATOM 0 HA LEU A 85 11.092 -8.425 4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.814 -5.737 3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.142 -7.266 3.024 1.00 0.00 H new ATOM 0 HG LEU A 85 9.388 -5.908 5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.317 -5.220 4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.759 -4.476 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.956 -5.843 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.471 -7.445 5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.120 -8.215 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.024 -8.312 5.654 1.00 0.00 H new ATOM 1259 N ASP A 86 12.684 -8.395 2.815 1.00 0.00 N ATOM 1260 CA ASP A 86 13.833 -8.659 1.966 1.00 0.00 C ATOM 1261 C ASP A 86 13.462 -8.371 0.509 1.00 0.00 C ATOM 1262 O ASP A 86 12.302 -8.503 0.123 1.00 0.00 O ATOM 1263 CB ASP A 86 14.266 -10.123 2.064 1.00 0.00 C ATOM 1264 CG ASP A 86 15.764 -10.341 2.280 1.00 0.00 C ATOM 1265 OD1 ASP A 86 16.369 -9.487 2.964 1.00 0.00 O ATOM 1266 OD2 ASP A 86 16.271 -11.357 1.757 1.00 0.00 O ATOM 0 H ASP A 86 11.822 -8.854 2.520 1.00 0.00 H new ATOM 0 HA ASP A 86 14.651 -8.019 2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.724 -10.592 2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.968 -10.636 1.150 1.00 0.00 H new ATOM 1271 N PRO A 87 14.496 -7.974 -0.279 1.00 0.00 N ATOM 1272 CA PRO A 87 14.291 -7.668 -1.685 1.00 0.00 C ATOM 1273 C PRO A 87 14.111 -8.947 -2.505 1.00 0.00 C ATOM 1274 O PRO A 87 13.323 -8.978 -3.449 1.00 0.00 O ATOM 1275 CB PRO A 87 15.515 -6.866 -2.095 1.00 0.00 C ATOM 1276 CG PRO A 87 16.572 -7.149 -1.040 1.00 0.00 C ATOM 1277 CD PRO A 87 15.884 -7.808 0.144 1.00 0.00 C ATOM 0 HA PRO A 87 13.379 -7.097 -1.863 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.862 -7.162 -3.085 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.286 -5.801 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.348 -7.801 -1.442 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.061 -6.225 -0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.342 -8.767 0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.954 -7.188 1.038 1.00 0.00 H new ATOM 1285 N GLU A 88 14.855 -9.971 -2.114 1.00 0.00 N ATOM 1286 CA GLU A 88 14.788 -11.250 -2.801 1.00 0.00 C ATOM 1287 C GLU A 88 13.762 -12.162 -2.127 1.00 0.00 C ATOM 1288 O GLU A 88 13.940 -13.378 -2.083 1.00 0.00 O ATOM 1289 CB GLU A 88 16.164 -11.917 -2.853 1.00 0.00 C ATOM 1290 CG GLU A 88 17.148 -11.082 -3.676 1.00 0.00 C ATOM 1291 CD GLU A 88 18.364 -11.915 -4.087 1.00 0.00 C ATOM 1292 OE1 GLU A 88 18.264 -12.586 -5.137 1.00 0.00 O ATOM 1293 OE2 GLU A 88 19.366 -11.862 -3.341 1.00 0.00 O ATOM 0 H GLU A 88 15.507 -9.941 -1.330 1.00 0.00 H new ATOM 0 HA GLU A 88 14.468 -11.072 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.548 -12.045 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.073 -12.912 -3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.649 -10.697 -4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.473 -10.219 -3.095 1.00 0.00 H new ATOM 1300 N THR A 89 12.709 -11.539 -1.617 1.00 0.00 N ATOM 1301 CA THR A 89 11.654 -12.279 -0.947 1.00 0.00 C ATOM 1302 C THR A 89 10.352 -11.476 -0.953 1.00 0.00 C ATOM 1303 O THR A 89 10.375 -10.248 -0.886 1.00 0.00 O ATOM 1304 CB THR A 89 12.143 -12.632 0.459 1.00 0.00 C ATOM 1305 OG1 THR A 89 13.331 -13.386 0.235 1.00 0.00 O ATOM 1306 CG2 THR A 89 11.210 -13.610 1.176 1.00 0.00 C ATOM 0 H THR A 89 12.565 -10.530 -1.655 1.00 0.00 H new ATOM 0 HA THR A 89 11.429 -13.208 -1.471 1.00 0.00 H new ATOM 0 HB THR A 89 12.236 -11.721 1.050 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.253 -13.876 -0.610 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.604 -13.827 2.169 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.219 -13.166 1.268 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.142 -14.535 0.603 1.00 0.00 H new ATOM 1314 N SER A 90 9.246 -12.202 -1.034 1.00 0.00 N ATOM 1315 CA SER A 90 7.937 -11.572 -1.050 1.00 0.00 C ATOM 1316 C SER A 90 7.111 -12.052 0.145 1.00 0.00 C ATOM 1317 O SER A 90 7.009 -13.253 0.391 1.00 0.00 O ATOM 1318 CB SER A 90 7.200 -11.868 -2.358 1.00 0.00 C ATOM 1319 OG SER A 90 7.042 -13.267 -2.578 1.00 0.00 O ATOM 0 H SER A 90 9.230 -13.220 -1.089 1.00 0.00 H new ATOM 0 HA SER A 90 8.075 -10.493 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.220 -11.391 -2.337 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.750 -11.430 -3.191 1.00 0.00 H new ATOM 0 HG SER A 90 7.077 -13.739 -1.720 1.00 0.00 H new ATOM 1325 N VAL A 91 6.542 -11.089 0.855 1.00 0.00 N ATOM 1326 CA VAL A 91 5.728 -11.398 2.018 1.00 0.00 C ATOM 1327 C VAL A 91 4.272 -11.025 1.731 1.00 0.00 C ATOM 1328 O VAL A 91 4.005 -10.091 0.976 1.00 0.00 O ATOM 1329 CB VAL A 91 6.292 -10.695 3.254 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.592 -11.176 4.527 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.806 -10.893 3.354 1.00 0.00 C ATOM 0 H VAL A 91 6.629 -10.094 0.647 1.00 0.00 H new ATOM 0 HA VAL A 91 5.754 -12.467 2.228 1.00 0.00 H new ATOM 0 HB VAL A 91 6.099 -9.627 3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.012 -10.660 5.390 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.526 -10.961 4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.739 -12.250 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.182 -10.383 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.030 -11.957 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.286 -10.479 2.467 1.00 0.00 H new ATOM 1341 N ASN A 92 3.369 -11.774 2.347 1.00 0.00 N ATOM 1342 CA ASN A 92 1.948 -11.533 2.167 1.00 0.00 C ATOM 1343 C ASN A 92 1.461 -10.555 3.238 1.00 0.00 C ATOM 1344 O ASN A 92 1.619 -10.807 4.431 1.00 0.00 O ATOM 1345 CB ASN A 92 1.147 -12.829 2.310 1.00 0.00 C ATOM 1346 CG ASN A 92 1.253 -13.384 3.731 1.00 0.00 C ATOM 1347 OD1 ASN A 92 0.431 -13.119 4.592 1.00 0.00 O ATOM 1348 ND2 ASN A 92 2.310 -14.168 3.928 1.00 0.00 N ATOM 0 H ASN A 92 3.594 -12.548 2.972 1.00 0.00 H new ATOM 0 HA ASN A 92 1.799 -11.126 1.167 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.101 -12.643 2.065 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.515 -13.568 1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 92 2.470 -14.588 4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.960 -14.349 3.163 1.00 0.00 H new ATOM 1355 N LEU A 93 0.878 -9.460 2.773 1.00 0.00 N ATOM 1356 CA LEU A 93 0.367 -8.443 3.676 1.00 0.00 C ATOM 1357 C LEU A 93 -0.801 -9.020 4.478 1.00 0.00 C ATOM 1358 O LEU A 93 -1.269 -10.122 4.194 1.00 0.00 O ATOM 1359 CB LEU A 93 0.014 -7.169 2.905 1.00 0.00 C ATOM 1360 CG LEU A 93 1.197 -6.314 2.446 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.760 -5.293 1.394 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.888 -5.649 3.638 1.00 0.00 C ATOM 0 H LEU A 93 0.748 -9.255 1.782 1.00 0.00 H new ATOM 0 HA LEU A 93 1.134 -8.151 4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.569 -7.449 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.631 -6.555 3.533 1.00 0.00 H new ATOM 0 HG LEU A 93 1.929 -6.969 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.620 -4.698 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.350 -5.814 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.001 -4.638 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.725 -5.047 3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.177 -5.009 4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.255 -6.416 4.320 1.00 0.00 H new ATOM 1374 N GLY A 94 -1.239 -8.250 5.463 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.344 -8.671 6.308 1.00 0.00 C ATOM 1376 C GLY A 94 -3.006 -7.468 6.983 1.00 0.00 C ATOM 1377 O GLY A 94 -2.359 -6.449 7.218 1.00 0.00 O ATOM 0 H GLY A 94 -0.849 -7.337 5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.080 -9.208 5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.983 -9.365 7.067 1.00 0.00 H new ATOM 1381 N ASP A 95 -4.289 -7.628 7.277 1.00 0.00 N ATOM 1382 CA ASP A 95 -5.046 -6.568 7.921 1.00 0.00 C ATOM 1383 C ASP A 95 -4.452 -6.290 9.304 1.00 0.00 C ATOM 1384 O ASP A 95 -4.624 -7.083 10.228 1.00 0.00 O ATOM 1385 CB ASP A 95 -6.509 -6.972 8.108 1.00 0.00 C ATOM 1386 CG ASP A 95 -7.472 -5.813 8.374 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -6.977 -4.756 8.822 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -8.680 -6.010 8.124 1.00 0.00 O ATOM 0 H ASP A 95 -4.822 -8.475 7.081 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.994 -5.683 7.286 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.841 -7.502 7.215 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.573 -7.675 8.938 1.00 0.00 H new ATOM 1393 N GLY A 96 -3.764 -5.162 9.401 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.144 -4.770 10.655 1.00 0.00 C ATOM 1395 C GLY A 96 -1.618 -4.822 10.552 1.00 0.00 C ATOM 1396 O GLY A 96 -0.923 -4.825 11.567 1.00 0.00 O ATOM 0 H GLY A 96 -3.622 -4.507 8.632 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.460 -3.761 10.921 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.481 -5.431 11.454 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.142 -4.862 9.316 1.00 0.00 N ATOM 1401 CA ASP A 97 0.289 -4.913 9.067 1.00 0.00 C ATOM 1402 C ASP A 97 0.840 -3.488 8.990 1.00 0.00 C ATOM 1403 O ASP A 97 0.412 -2.698 8.150 1.00 0.00 O ATOM 1404 CB ASP A 97 0.592 -5.611 7.740 1.00 0.00 C ATOM 1405 CG ASP A 97 0.305 -7.113 7.718 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -0.498 -7.550 8.571 1.00 0.00 O ATOM 1407 OD2 ASP A 97 0.895 -7.792 6.850 1.00 0.00 O ATOM 0 H ASP A 97 -1.721 -4.860 8.477 1.00 0.00 H new ATOM 0 HA ASP A 97 0.754 -5.469 9.881 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.007 -5.133 6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.643 -5.454 7.496 1.00 0.00 H new ATOM 1412 N VAL A 98 1.783 -3.204 9.876 1.00 0.00 N ATOM 1413 CA VAL A 98 2.398 -1.888 9.918 1.00 0.00 C ATOM 1414 C VAL A 98 3.687 -1.905 9.094 1.00 0.00 C ATOM 1415 O VAL A 98 4.621 -2.640 9.411 1.00 0.00 O ATOM 1416 CB VAL A 98 2.623 -1.462 11.371 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.771 -0.456 11.475 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.339 -0.894 11.980 1.00 0.00 C ATOM 0 H VAL A 98 2.136 -3.862 10.570 1.00 0.00 H new ATOM 0 HA VAL A 98 1.738 -1.144 9.473 1.00 0.00 H new ATOM 0 HB VAL A 98 2.901 -2.348 11.942 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.910 -0.169 12.517 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.688 -0.910 11.098 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.534 0.429 10.884 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.526 -0.599 13.013 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.018 -0.025 11.406 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.558 -1.654 11.955 1.00 0.00 H new ATOM 1428 N ILE A 99 3.696 -1.086 8.052 1.00 0.00 N ATOM 1429 CA ILE A 99 4.855 -0.998 7.180 1.00 0.00 C ATOM 1430 C ILE A 99 5.706 0.205 7.590 1.00 0.00 C ATOM 1431 O ILE A 99 5.303 1.351 7.393 1.00 0.00 O ATOM 1432 CB ILE A 99 4.421 -0.974 5.713 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.403 -2.079 5.424 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.632 -1.052 4.782 1.00 0.00 C ATOM 1435 CD1 ILE A 99 2.671 -1.819 4.106 1.00 0.00 C ATOM 0 H ILE A 99 2.919 -0.478 7.792 1.00 0.00 H new ATOM 0 HA ILE A 99 5.482 -1.883 7.288 1.00 0.00 H new ATOM 0 HB ILE A 99 3.926 -0.022 5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 99 3.910 -3.043 5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.682 -2.136 6.239 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.296 -1.033 3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.288 -0.201 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.177 -1.977 4.970 1.00 0.00 H new ATOM 0 HD11 ILE A 99 1.953 -2.619 3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.145 -0.866 4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.392 -1.786 3.289 1.00 0.00 H new ATOM 1447 N LYS A 100 6.867 -0.096 8.153 1.00 0.00 N ATOM 1448 CA LYS A 100 7.778 0.947 8.592 1.00 0.00 C ATOM 1449 C LYS A 100 8.880 1.129 7.547 1.00 0.00 C ATOM 1450 O LYS A 100 9.789 0.307 7.448 1.00 0.00 O ATOM 1451 CB LYS A 100 8.306 0.642 9.995 1.00 0.00 C ATOM 1452 CG LYS A 100 7.388 1.233 11.067 1.00 0.00 C ATOM 1453 CD LYS A 100 7.403 0.377 12.335 1.00 0.00 C ATOM 1454 CE LYS A 100 8.195 1.063 13.450 1.00 0.00 C ATOM 1455 NZ LYS A 100 8.061 0.312 14.718 1.00 0.00 N ATOM 0 H LYS A 100 7.198 -1.047 8.315 1.00 0.00 H new ATOM 0 HA LYS A 100 7.255 1.900 8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.383 -0.437 10.132 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.311 1.050 10.106 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.707 2.248 11.305 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.371 1.301 10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.381 0.196 12.668 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.844 -0.596 12.116 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.246 1.130 13.169 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.836 2.083 13.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.604 0.791 15.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.059 0.270 14.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.426 -0.654 14.590 1.00 0.00 H new ATOM 1469 N LEU A 101 8.763 2.212 6.792 1.00 0.00 N ATOM 1470 CA LEU A 101 9.738 2.512 5.757 1.00 0.00 C ATOM 1471 C LEU A 101 10.279 3.928 5.968 1.00 0.00 C ATOM 1472 O LEU A 101 9.769 4.674 6.802 1.00 0.00 O ATOM 1473 CB LEU A 101 9.135 2.285 4.370 1.00 0.00 C ATOM 1474 CG LEU A 101 8.130 3.336 3.895 1.00 0.00 C ATOM 1475 CD1 LEU A 101 8.163 3.478 2.372 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.724 3.024 4.412 1.00 0.00 C ATOM 0 H LEU A 101 8.008 2.892 6.877 1.00 0.00 H new ATOM 0 HA LEU A 101 10.587 1.832 5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.948 2.235 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.643 1.312 4.364 1.00 0.00 H new ATOM 0 HG LEU A 101 8.420 4.300 4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.439 4.231 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.161 3.782 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.912 2.522 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.029 3.787 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.409 2.048 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.731 3.015 5.502 1.00 0.00 H new ATOM 1488 N GLY A 102 11.307 4.255 5.198 1.00 0.00 N ATOM 1489 CA GLY A 102 11.922 5.568 5.290 1.00 0.00 C ATOM 1490 C GLY A 102 12.594 5.765 6.650 1.00 0.00 C ATOM 1491 O GLY A 102 13.372 4.919 7.091 1.00 0.00 O ATOM 0 H GLY A 102 11.729 3.633 4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.659 5.684 4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.166 6.339 5.139 1.00 0.00 H new ATOM 1495 N GLU A 103 12.269 6.885 7.278 1.00 0.00 N ATOM 1496 CA GLU A 103 12.831 7.203 8.580 1.00 0.00 C ATOM 1497 C GLU A 103 11.784 6.993 9.676 1.00 0.00 C ATOM 1498 O GLU A 103 11.961 6.153 10.556 1.00 0.00 O ATOM 1499 CB GLU A 103 13.374 8.633 8.608 1.00 0.00 C ATOM 1500 CG GLU A 103 14.313 8.886 7.426 1.00 0.00 C ATOM 1501 CD GLU A 103 15.328 9.982 7.757 1.00 0.00 C ATOM 1502 OE1 GLU A 103 16.277 9.668 8.507 1.00 0.00 O ATOM 1503 OE2 GLU A 103 15.131 11.109 7.252 1.00 0.00 O ATOM 0 H GLU A 103 11.624 7.584 6.910 1.00 0.00 H new ATOM 0 HA GLU A 103 13.666 6.528 8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.546 9.341 8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.906 8.806 9.543 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.837 7.965 7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.732 9.176 6.551 1.00 0.00 H new ATOM 1510 N TYR A 104 10.715 7.772 9.586 1.00 0.00 N ATOM 1511 CA TYR A 104 9.640 7.682 10.559 1.00 0.00 C ATOM 1512 C TYR A 104 8.277 7.630 9.867 1.00 0.00 C ATOM 1513 O TYR A 104 7.358 8.358 10.241 1.00 0.00 O ATOM 1514 CB TYR A 104 9.724 8.958 11.400 1.00 0.00 C ATOM 1515 CG TYR A 104 10.899 8.982 12.379 1.00 0.00 C ATOM 1516 CD1 TYR A 104 10.802 8.326 13.590 1.00 0.00 C ATOM 1517 CD2 TYR A 104 12.057 9.658 12.051 1.00 0.00 C ATOM 1518 CE1 TYR A 104 11.908 8.349 14.511 1.00 0.00 C ATOM 1519 CE2 TYR A 104 13.163 9.681 12.973 1.00 0.00 C ATOM 1520 CZ TYR A 104 13.034 9.025 14.158 1.00 0.00 C ATOM 1521 OH TYR A 104 14.079 9.047 15.028 1.00 0.00 O ATOM 0 H TYR A 104 10.571 8.468 8.854 1.00 0.00 H new ATOM 0 HA TYR A 104 9.741 6.778 11.160 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.803 9.816 10.733 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.796 9.074 11.960 1.00 0.00 H new ATOM 0 HD1 TYR A 104 9.897 7.796 13.846 1.00 0.00 H new ATOM 0 HD2 TYR A 104 12.134 10.170 11.103 1.00 0.00 H new ATOM 0 HE1 TYR A 104 11.845 7.840 15.462 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.074 10.207 12.729 1.00 0.00 H new ATOM 0 HH TYR A 104 14.815 9.566 14.642 1.00 0.00 H new ATOM 1531 N THR A 105 8.189 6.764 8.868 1.00 0.00 N ATOM 1532 CA THR A 105 6.953 6.608 8.120 1.00 0.00 C ATOM 1533 C THR A 105 6.373 5.208 8.334 1.00 0.00 C ATOM 1534 O THR A 105 7.030 4.209 8.047 1.00 0.00 O ATOM 1535 CB THR A 105 7.246 6.926 6.652 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.217 8.350 6.593 1.00 0.00 O ATOM 1537 CG2 THR A 105 6.112 6.491 5.721 1.00 0.00 C ATOM 0 H THR A 105 8.953 6.163 8.559 1.00 0.00 H new ATOM 0 HA THR A 105 6.188 7.300 8.472 1.00 0.00 H new ATOM 0 HB THR A 105 8.171 6.434 6.352 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.826 8.661 5.891 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.371 6.740 4.692 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.963 5.415 5.808 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.194 7.008 5.999 1.00 0.00 H new ATOM 1545 N SER A 106 5.147 5.181 8.836 1.00 0.00 N ATOM 1546 CA SER A 106 4.471 3.921 9.092 1.00 0.00 C ATOM 1547 C SER A 106 3.166 3.856 8.296 1.00 0.00 C ATOM 1548 O SER A 106 2.413 4.828 8.251 1.00 0.00 O ATOM 1549 CB SER A 106 4.191 3.739 10.585 1.00 0.00 C ATOM 1550 OG SER A 106 5.358 3.944 11.376 1.00 0.00 O ATOM 0 H SER A 106 4.604 6.012 9.072 1.00 0.00 H new ATOM 0 HA SER A 106 5.126 3.111 8.771 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.415 4.438 10.896 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.805 2.735 10.762 1.00 0.00 H new ATOM 0 HG SER A 106 5.137 3.820 12.323 1.00 0.00 H new ATOM 1556 N ILE A 107 2.938 2.701 7.687 1.00 0.00 N ATOM 1557 CA ILE A 107 1.737 2.497 6.895 1.00 0.00 C ATOM 1558 C ILE A 107 1.005 1.252 7.398 1.00 0.00 C ATOM 1559 O ILE A 107 1.618 0.203 7.592 1.00 0.00 O ATOM 1560 CB ILE A 107 2.080 2.449 5.405 1.00 0.00 C ATOM 1561 CG1 ILE A 107 3.005 3.604 5.017 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.811 2.419 4.551 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.278 3.607 3.512 1.00 0.00 C ATOM 0 H ILE A 107 3.565 1.897 7.726 1.00 0.00 H new ATOM 0 HA ILE A 107 1.054 3.338 7.014 1.00 0.00 H new ATOM 0 HB ILE A 107 2.622 1.524 5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.552 4.551 5.310 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.946 3.519 5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.083 2.385 3.496 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.224 1.536 4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.221 3.315 4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 107 3.938 4.438 3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.753 2.668 3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.338 3.717 2.972 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.296 1.408 7.595 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.118 0.309 8.072 1.00 0.00 C ATOM 1577 C LEU A 108 -1.874 -0.306 6.893 1.00 0.00 C ATOM 1578 O LEU A 108 -2.317 0.409 5.995 1.00 0.00 O ATOM 1579 CB LEU A 108 -2.027 0.775 9.211 1.00 0.00 C ATOM 1580 CG LEU A 108 -3.324 -0.016 9.401 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -3.029 -1.481 9.727 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -4.216 0.639 10.457 1.00 0.00 C ATOM 0 H LEU A 108 -0.801 2.279 7.433 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.494 -0.478 8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.460 0.734 10.141 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.284 1.820 9.040 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.875 -0.000 8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.967 -2.021 9.857 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.463 -1.929 8.910 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.446 -1.539 10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.131 0.057 10.572 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.686 0.675 11.409 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.468 1.652 10.143 1.00 0.00 H new ATOM 1594 N VAL A 109 -2.000 -1.624 6.934 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.695 -2.343 5.880 1.00 0.00 C ATOM 1596 C VAL A 109 -4.054 -2.815 6.401 1.00 0.00 C ATOM 1597 O VAL A 109 -4.121 -3.610 7.337 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.822 -3.488 5.363 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.601 -4.374 4.389 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.543 -2.953 4.716 1.00 0.00 C ATOM 0 H VAL A 109 -1.632 -2.213 7.681 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.883 -1.687 5.030 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.534 -4.102 6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.958 -5.180 4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.468 -4.797 4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.933 -3.777 3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.060 -3.787 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.802 -2.306 3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.026 -2.384 5.451 1.00 0.00 H new ATOM 1610 N ASN A 110 -5.103 -2.305 5.773 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.456 -2.665 6.161 1.00 0.00 C ATOM 1612 C ASN A 110 -7.213 -3.183 4.937 1.00 0.00 C ATOM 1613 O ASN A 110 -7.213 -2.544 3.886 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.213 -1.453 6.707 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.298 -1.502 8.234 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -8.346 -1.312 8.830 1.00 0.00 O ATOM 1617 ND2 ASN A 110 -6.140 -1.766 8.832 1.00 0.00 N ATOM 0 H ASN A 110 -5.043 -1.645 4.998 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.392 -3.430 6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.712 -0.536 6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.217 -1.426 6.284 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.092 -1.820 9.849 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.300 -1.915 8.273 1.00 0.00 H new ATOM 1624 N PHE A 111 -7.841 -4.337 5.113 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.600 -4.948 4.036 1.00 0.00 C ATOM 1626 C PHE A 111 -10.071 -4.532 4.097 1.00 0.00 C ATOM 1627 O PHE A 111 -10.816 -4.996 4.959 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.503 -6.463 4.224 1.00 0.00 C ATOM 1629 CG PHE A 111 -7.094 -7.026 4.025 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.274 -6.489 3.082 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.661 -8.063 4.792 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -4.967 -7.012 2.897 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.354 -8.585 4.607 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.534 -8.048 3.664 1.00 0.00 C ATOM 0 H PHE A 111 -7.839 -4.865 5.986 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.200 -4.631 3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.846 -6.717 5.227 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.180 -6.950 3.522 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.617 -5.665 2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.312 -8.489 5.541 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.317 -6.587 2.147 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.011 -9.409 5.215 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.539 -8.444 3.524 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.446 -3.661 3.171 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.814 -3.177 3.109 1.00 0.00 C ATOM 1646 C VAL A 112 -12.695 -4.236 2.443 1.00 0.00 C ATOM 1647 O VAL A 112 -12.628 -4.431 1.231 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.859 -1.826 2.393 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -13.294 -1.303 2.298 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.950 -0.808 3.086 1.00 0.00 C ATOM 0 H VAL A 112 -9.826 -3.278 2.458 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.206 -3.011 4.112 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.488 -1.972 1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -13.298 -0.341 1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -13.904 -2.014 1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.704 -1.181 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.000 0.144 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.278 -0.669 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.923 -1.173 3.079 1.00 0.00 H new