USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 722 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 15 TYR OH : rot 39:sc= 1.52 USER MOD Set 1.2: A 45 SER OG : rot 36:sc= 0.95 USER MOD Set 1.3: A 49 LYS NZ :NH3+ -152:sc= 1.24 (180deg=-0.168) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -172:sc= -1.11 (180deg=-1.31) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 98:sc= 0.569 USER MOD Single : A 20 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.095) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -101:sc= 0.0943 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0.826 (180deg=0.795) USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 1.31 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HE2:sc= 0.503 K(o=0.5,f=-1.6!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.206 USER MOD Single : A 36 ASN : amide:sc= -0.699 K(o=-0.7,f=-0.0072) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 94:sc= 0.176 USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= 1.18 (180deg=0.994) USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 1.13 (180deg=0.899) USER MOD Single : A 44 CYS SG : rot 79:sc= 0.685 USER MOD Single : A 50 THR OG1 : rot -7:sc= 0.856 USER MOD Single : A 51 MET CE :methyl -136:sc= -0.653 (180deg=-2.28!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -169:sc=-0.00584 (180deg=-0.195) USER MOD Single : A 56 LYS NZ :NH3+ 178:sc= 0.489 (180deg=0.486) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 179:sc= -1.57 (180deg=-1.58) USER MOD Single : A 64 LYS NZ :NH3+ -109:sc= -0.483 (180deg=-2.4!) USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 1.25 (180deg=0.928) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -32:sc= 0.222 USER MOD Single : B 24 LYS NZ :NH3+ 162:sc= 1.22 (180deg=0.539) USER MOD Single : B 44 MET CE :methyl -145:sc= -0.341 (180deg=-1.12) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0.119 X(o=0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 9.207 10.348 -1.147 1.00 0.00 N ATOM 110 CA PRO A 8 9.755 9.357 -0.215 1.00 0.00 C ATOM 111 C PRO A 8 8.849 8.129 -0.105 1.00 0.00 C ATOM 112 O PRO A 8 7.936 7.954 -0.914 1.00 0.00 O ATOM 113 CB PRO A 8 9.814 10.099 1.128 1.00 0.00 C ATOM 114 CG PRO A 8 9.709 11.544 0.783 1.00 0.00 C ATOM 115 CD PRO A 8 8.879 11.609 -0.463 1.00 0.00 C ATOM 0 HA PRO A 8 10.726 8.984 -0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.000 9.791 1.784 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.745 9.887 1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.243 12.106 1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.695 11.979 0.619 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.815 11.680 -0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.133 12.476 -1.072 1.00 0.00 H new ATOM 123 N ARG A 9 9.114 7.280 0.889 1.00 0.00 N ATOM 124 CA ARG A 9 8.336 6.057 1.099 1.00 0.00 C ATOM 125 C ARG A 9 6.837 6.338 1.052 1.00 0.00 C ATOM 126 O ARG A 9 6.079 5.645 0.370 1.00 0.00 O ATOM 127 CB ARG A 9 8.682 5.428 2.448 1.00 0.00 C ATOM 128 CG ARG A 9 8.183 4.002 2.592 1.00 0.00 C ATOM 129 CD ARG A 9 9.110 3.033 1.889 1.00 0.00 C ATOM 130 NE ARG A 9 10.412 2.952 2.546 1.00 0.00 N ATOM 131 CZ ARG A 9 11.297 1.987 2.323 1.00 0.00 C ATOM 132 NH1 ARG A 9 11.028 1.039 1.439 1.00 0.00 N1+ ATOM 133 NH2 ARG A 9 12.450 1.971 2.977 1.00 0.00 N ATOM 0 H ARG A 9 9.865 7.418 1.565 1.00 0.00 H new ATOM 0 HA ARG A 9 8.591 5.367 0.295 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.764 5.442 2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.255 6.037 3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.111 3.742 3.648 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.179 3.919 2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.652 2.044 1.867 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.245 3.345 0.853 1.00 0.00 H new ATOM 0 HE ARG A 9 10.656 3.681 3.217 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.143 1.051 0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.705 0.297 1.265 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.661 2.702 3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.126 1.227 2.801 1.00 0.00 H new ATOM 147 N GLY A 10 6.422 7.340 1.801 1.00 0.00 N ATOM 148 CA GLY A 10 5.040 7.764 1.776 1.00 0.00 C ATOM 149 C GLY A 10 4.425 7.811 3.158 1.00 0.00 C ATOM 150 O GLY A 10 5.099 7.567 4.154 1.00 0.00 O ATOM 0 H GLY A 10 7.021 7.873 2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.974 8.751 1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.465 7.083 1.149 1.00 0.00 H new ATOM 154 N LYS A 11 3.141 8.131 3.217 1.00 0.00 N ATOM 155 CA LYS A 11 2.408 8.154 4.476 1.00 0.00 C ATOM 156 C LYS A 11 1.489 6.949 4.541 1.00 0.00 C ATOM 157 O LYS A 11 0.488 6.951 5.263 1.00 0.00 O ATOM 158 CB LYS A 11 1.581 9.433 4.600 1.00 0.00 C ATOM 159 CG LYS A 11 2.401 10.710 4.570 1.00 0.00 C ATOM 160 CD LYS A 11 1.515 11.939 4.701 1.00 0.00 C ATOM 161 CE LYS A 11 0.944 12.075 6.104 1.00 0.00 C ATOM 162 NZ LYS A 11 -0.227 12.988 6.136 1.00 0.00 N1+ ATOM 0 H LYS A 11 2.581 8.380 2.402 1.00 0.00 H new ATOM 0 HA LYS A 11 3.123 8.124 5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.854 9.462 3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.017 9.399 5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.129 10.696 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.963 10.762 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.091 12.831 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.699 11.878 3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.649 11.093 6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.716 12.450 6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.588 13.055 7.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.060 13.932 5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.974 12.617 5.514 1.00 0.00 H new ATOM 176 N MET A 12 1.843 5.935 3.762 1.00 0.00 N ATOM 177 CA MET A 12 1.034 4.734 3.605 1.00 0.00 C ATOM 178 C MET A 12 0.656 4.137 4.954 1.00 0.00 C ATOM 179 O MET A 12 1.423 4.198 5.915 1.00 0.00 O ATOM 180 CB MET A 12 1.788 3.693 2.774 1.00 0.00 C ATOM 181 CG MET A 12 2.223 4.202 1.409 1.00 0.00 C ATOM 182 SD MET A 12 2.952 2.911 0.384 1.00 0.00 S ATOM 183 CE MET A 12 4.219 2.274 1.478 1.00 0.00 C ATOM 0 H MET A 12 2.706 5.923 3.218 1.00 0.00 H new ATOM 0 HA MET A 12 0.117 5.018 3.088 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.668 3.366 3.328 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.153 2.818 2.640 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.362 4.627 0.893 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.946 5.008 1.540 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.847 1.568 0.935 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.832 3.098 1.844 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.750 1.768 2.322 1.00 0.00 H new ATOM 193 N SER A 13 -0.539 3.574 5.014 1.00 0.00 N ATOM 194 CA SER A 13 -1.030 2.952 6.228 1.00 0.00 C ATOM 195 C SER A 13 -0.217 1.699 6.556 1.00 0.00 C ATOM 196 O SER A 13 0.542 1.204 5.714 1.00 0.00 O ATOM 197 CB SER A 13 -2.508 2.603 6.057 1.00 0.00 C ATOM 198 OG SER A 13 -3.253 3.739 5.647 1.00 0.00 O ATOM 0 H SER A 13 -1.190 3.536 4.229 1.00 0.00 H new ATOM 0 HA SER A 13 -0.921 3.651 7.058 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.615 1.808 5.319 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.907 2.222 6.997 1.00 0.00 H new ATOM 0 HG SER A 13 -4.195 3.492 5.542 1.00 0.00 H new ATOM 204 N SER A 14 -0.393 1.183 7.770 1.00 0.00 N ATOM 205 CA SER A 14 0.331 0.004 8.233 1.00 0.00 C ATOM 206 C SER A 14 0.152 -1.173 7.275 1.00 0.00 C ATOM 207 O SER A 14 1.044 -2.008 7.122 1.00 0.00 O ATOM 208 CB SER A 14 -0.165 -0.376 9.624 1.00 0.00 C ATOM 209 OG SER A 14 -1.579 -0.457 9.646 1.00 0.00 O ATOM 0 H SER A 14 -1.039 1.570 8.458 1.00 0.00 H new ATOM 0 HA SER A 14 1.394 0.243 8.269 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.264 -1.334 9.920 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.173 0.363 10.351 1.00 0.00 H new ATOM 0 HG SER A 14 -1.854 -1.393 9.557 1.00 0.00 H new ATOM 215 N TYR A 15 -1.008 -1.215 6.634 1.00 0.00 N ATOM 216 CA TYR A 15 -1.339 -2.254 5.672 1.00 0.00 C ATOM 217 C TYR A 15 -0.274 -2.345 4.575 1.00 0.00 C ATOM 218 O TYR A 15 0.233 -3.430 4.268 1.00 0.00 O ATOM 219 CB TYR A 15 -2.708 -1.941 5.063 1.00 0.00 C ATOM 220 CG TYR A 15 -3.461 -3.147 4.551 1.00 0.00 C ATOM 221 CD1 TYR A 15 -2.883 -4.409 4.543 1.00 0.00 C ATOM 222 CD2 TYR A 15 -4.763 -3.020 4.084 1.00 0.00 C ATOM 223 CE1 TYR A 15 -3.579 -5.508 4.082 1.00 0.00 C ATOM 224 CE2 TYR A 15 -5.465 -4.113 3.622 1.00 0.00 C ATOM 225 CZ TYR A 15 -4.869 -5.353 3.624 1.00 0.00 C ATOM 226 OH TYR A 15 -5.562 -6.442 3.156 1.00 0.00 O ATOM 0 H TYR A 15 -1.748 -0.526 6.768 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.371 -3.218 6.180 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.319 -1.440 5.814 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.573 -1.238 4.241 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.872 -4.533 4.903 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.234 -2.048 4.083 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.115 -6.483 4.080 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.476 -3.997 3.261 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.362 -7.222 3.714 1.00 0.00 H new ATOM 236 N ALA A 16 0.084 -1.200 3.999 1.00 0.00 N ATOM 237 CA ALA A 16 1.062 -1.175 2.921 1.00 0.00 C ATOM 238 C ALA A 16 2.465 -1.407 3.454 1.00 0.00 C ATOM 239 O ALA A 16 3.307 -1.963 2.760 1.00 0.00 O ATOM 240 CB ALA A 16 0.997 0.130 2.145 1.00 0.00 C ATOM 0 H ALA A 16 -0.286 -0.286 4.260 1.00 0.00 H new ATOM 0 HA ALA A 16 0.815 -1.987 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.740 0.116 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.003 0.247 1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.201 0.963 2.817 1.00 0.00 H new ATOM 246 N PHE A 17 2.710 -0.988 4.691 1.00 0.00 N ATOM 247 CA PHE A 17 4.006 -1.206 5.326 1.00 0.00 C ATOM 248 C PHE A 17 4.260 -2.691 5.543 1.00 0.00 C ATOM 249 O PHE A 17 5.400 -3.150 5.476 1.00 0.00 O ATOM 250 CB PHE A 17 4.097 -0.447 6.649 1.00 0.00 C ATOM 251 CG PHE A 17 4.583 0.965 6.486 1.00 0.00 C ATOM 252 CD1 PHE A 17 3.835 1.895 5.784 1.00 0.00 C ATOM 253 CD2 PHE A 17 5.795 1.356 7.029 1.00 0.00 C ATOM 254 CE1 PHE A 17 4.287 3.191 5.627 1.00 0.00 C ATOM 255 CE2 PHE A 17 6.252 2.650 6.876 1.00 0.00 C ATOM 256 CZ PHE A 17 5.497 3.569 6.174 1.00 0.00 C ATOM 0 H PHE A 17 2.031 -0.497 5.273 1.00 0.00 H new ATOM 0 HA PHE A 17 4.777 -0.822 4.658 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.115 -0.435 7.122 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.768 -0.981 7.322 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.888 1.604 5.354 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.390 0.641 7.578 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.695 3.907 5.077 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.199 2.943 7.305 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.853 4.582 6.053 1.00 0.00 H new ATOM 266 N PHE A 18 3.188 -3.433 5.791 1.00 0.00 N ATOM 267 CA PHE A 18 3.255 -4.881 5.908 1.00 0.00 C ATOM 268 C PHE A 18 3.815 -5.490 4.624 1.00 0.00 C ATOM 269 O PHE A 18 4.764 -6.277 4.660 1.00 0.00 O ATOM 270 CB PHE A 18 1.859 -5.431 6.218 1.00 0.00 C ATOM 271 CG PHE A 18 1.748 -6.925 6.160 1.00 0.00 C ATOM 272 CD1 PHE A 18 2.381 -7.724 7.097 1.00 0.00 C ATOM 273 CD2 PHE A 18 1.006 -7.529 5.163 1.00 0.00 C ATOM 274 CE1 PHE A 18 2.273 -9.100 7.039 1.00 0.00 C ATOM 275 CE2 PHE A 18 0.892 -8.900 5.100 1.00 0.00 C ATOM 276 CZ PHE A 18 1.528 -9.688 6.037 1.00 0.00 C ATOM 0 H PHE A 18 2.252 -3.048 5.916 1.00 0.00 H new ATOM 0 HA PHE A 18 3.925 -5.151 6.724 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.564 -5.097 7.213 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.148 -5.000 5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.965 -7.267 7.882 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.509 -6.918 4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.770 -9.714 7.776 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.305 -9.358 4.318 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.443 -10.763 5.986 1.00 0.00 H new ATOM 286 N VAL A 19 3.237 -5.105 3.492 1.00 0.00 N ATOM 287 CA VAL A 19 3.742 -5.541 2.192 1.00 0.00 C ATOM 288 C VAL A 19 5.135 -4.969 1.948 1.00 0.00 C ATOM 289 O VAL A 19 6.040 -5.665 1.485 1.00 0.00 O ATOM 290 CB VAL A 19 2.815 -5.092 1.041 1.00 0.00 C ATOM 291 CG1 VAL A 19 3.364 -5.522 -0.311 1.00 0.00 C ATOM 292 CG2 VAL A 19 1.419 -5.639 1.234 1.00 0.00 C ATOM 0 H VAL A 19 2.421 -4.494 3.446 1.00 0.00 H new ATOM 0 HA VAL A 19 3.779 -6.630 2.209 1.00 0.00 H new ATOM 0 HB VAL A 19 2.771 -4.003 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.689 -5.191 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.347 -5.076 -0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.451 -6.608 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.783 -5.311 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.454 -6.728 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.012 -5.273 2.177 1.00 0.00 H new ATOM 302 N GLN A 20 5.287 -3.697 2.286 1.00 0.00 N ATOM 303 CA GLN A 20 6.518 -2.957 2.053 1.00 0.00 C ATOM 304 C GLN A 20 7.723 -3.661 2.661 1.00 0.00 C ATOM 305 O GLN A 20 8.656 -4.016 1.943 1.00 0.00 O ATOM 306 CB GLN A 20 6.382 -1.542 2.620 1.00 0.00 C ATOM 307 CG GLN A 20 7.542 -0.623 2.296 1.00 0.00 C ATOM 308 CD GLN A 20 8.256 -0.133 3.539 1.00 0.00 C ATOM 309 OE1 GLN A 20 9.220 -0.743 3.994 1.00 0.00 O ATOM 310 NE2 GLN A 20 7.769 0.959 4.106 1.00 0.00 N ATOM 0 H GLN A 20 4.554 -3.146 2.733 1.00 0.00 H new ATOM 0 HA GLN A 20 6.684 -2.903 0.977 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.464 -1.097 2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.277 -1.606 3.703 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.251 -1.149 1.657 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.176 0.233 1.729 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.966 1.433 3.693 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.197 1.326 4.956 1.00 0.00 H new ATOM 319 N THR A 21 7.691 -3.883 3.963 1.00 0.00 N ATOM 320 CA THR A 21 8.837 -4.445 4.660 1.00 0.00 C ATOM 321 C THR A 21 9.103 -5.890 4.223 1.00 0.00 C ATOM 322 O THR A 21 10.256 -6.313 4.134 1.00 0.00 O ATOM 323 CB THR A 21 8.663 -4.364 6.201 1.00 0.00 C ATOM 324 OG1 THR A 21 9.879 -4.726 6.865 1.00 0.00 O ATOM 325 CG2 THR A 21 7.536 -5.263 6.693 1.00 0.00 C ATOM 0 H THR A 21 6.887 -3.684 4.559 1.00 0.00 H new ATOM 0 HA THR A 21 9.704 -3.843 4.388 1.00 0.00 H new ATOM 0 HB THR A 21 8.408 -3.331 6.438 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.752 -4.668 7.835 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.448 -5.177 7.776 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.599 -4.959 6.227 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.754 -6.298 6.428 1.00 0.00 H new ATOM 333 N CYS A 22 8.045 -6.632 3.902 1.00 0.00 N ATOM 334 CA CYS A 22 8.189 -8.033 3.532 1.00 0.00 C ATOM 335 C CYS A 22 8.732 -8.171 2.109 1.00 0.00 C ATOM 336 O CYS A 22 9.650 -8.957 1.860 1.00 0.00 O ATOM 337 CB CYS A 22 6.852 -8.766 3.663 1.00 0.00 C ATOM 338 SG CYS A 22 6.966 -10.553 3.411 1.00 0.00 S ATOM 0 H CYS A 22 7.085 -6.287 3.891 1.00 0.00 H new ATOM 0 HA CYS A 22 8.905 -8.488 4.217 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.440 -8.575 4.654 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.150 -8.351 2.940 1.00 0.00 H new ATOM 0 HG CYS A 22 6.559 -10.849 2.212 1.00 0.00 H new ATOM 344 N ARG A 23 8.173 -7.403 1.178 1.00 0.00 N ATOM 345 CA ARG A 23 8.611 -7.455 -0.213 1.00 0.00 C ATOM 346 C ARG A 23 10.044 -6.952 -0.336 1.00 0.00 C ATOM 347 O ARG A 23 10.811 -7.419 -1.178 1.00 0.00 O ATOM 348 CB ARG A 23 7.649 -6.655 -1.120 1.00 0.00 C ATOM 349 CG ARG A 23 8.309 -5.594 -1.997 1.00 0.00 C ATOM 350 CD ARG A 23 8.361 -4.243 -1.299 1.00 0.00 C ATOM 351 NE ARG A 23 9.434 -3.397 -1.826 1.00 0.00 N ATOM 352 CZ ARG A 23 10.069 -2.474 -1.103 1.00 0.00 C ATOM 353 NH1 ARG A 23 9.667 -2.199 0.129 1.00 0.00 N1+ ATOM 354 NH2 ARG A 23 11.103 -1.817 -1.603 1.00 0.00 N ATOM 0 H ARG A 23 7.419 -6.740 1.360 1.00 0.00 H new ATOM 0 HA ARG A 23 8.590 -8.492 -0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.117 -7.355 -1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.903 -6.170 -0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.320 -5.911 -2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.757 -5.500 -2.932 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.405 -3.734 -1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.509 -4.392 -0.229 1.00 0.00 H new ATOM 0 HE ARG A 23 9.711 -3.521 -2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.869 -2.694 0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.155 -1.492 0.679 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.422 -2.014 -2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.581 -1.113 -1.040 1.00 0.00 H new ATOM 368 N GLU A 24 10.403 -6.022 0.535 1.00 0.00 N ATOM 369 CA GLU A 24 11.717 -5.413 0.498 1.00 0.00 C ATOM 370 C GLU A 24 12.758 -6.340 1.095 1.00 0.00 C ATOM 371 O GLU A 24 13.825 -6.526 0.520 1.00 0.00 O ATOM 372 CB GLU A 24 11.691 -4.088 1.245 1.00 0.00 C ATOM 373 CG GLU A 24 13.011 -3.349 1.233 1.00 0.00 C ATOM 374 CD GLU A 24 12.869 -1.921 1.703 1.00 0.00 C ATOM 375 OE1 GLU A 24 12.361 -1.087 0.921 1.00 0.00 O1- ATOM 376 OE2 GLU A 24 13.260 -1.624 2.850 1.00 0.00 O ATOM 0 H GLU A 24 9.798 -5.673 1.278 1.00 0.00 H new ATOM 0 HA GLU A 24 11.988 -5.229 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.925 -3.450 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.398 -4.271 2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.724 -3.871 1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.422 -3.358 0.223 1.00 0.00 H new ATOM 383 N GLU A 25 12.433 -6.933 2.236 1.00 0.00 N ATOM 384 CA GLU A 25 13.346 -7.845 2.911 1.00 0.00 C ATOM 385 C GLU A 25 13.788 -8.960 1.960 1.00 0.00 C ATOM 386 O GLU A 25 14.962 -9.327 1.912 1.00 0.00 O ATOM 387 CB GLU A 25 12.670 -8.436 4.150 1.00 0.00 C ATOM 388 CG GLU A 25 13.618 -9.171 5.075 1.00 0.00 C ATOM 389 CD GLU A 25 14.543 -8.242 5.837 1.00 0.00 C ATOM 390 OE1 GLU A 25 15.234 -7.422 5.200 1.00 0.00 O ATOM 391 OE2 GLU A 25 14.600 -8.349 7.082 1.00 0.00 O1- ATOM 0 H GLU A 25 11.542 -6.798 2.714 1.00 0.00 H new ATOM 0 HA GLU A 25 14.231 -7.291 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.186 -7.633 4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.885 -9.121 3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.039 -9.761 5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.216 -9.871 4.492 1.00 0.00 H new ATOM 398 N HIS A 26 12.838 -9.469 1.183 1.00 0.00 N ATOM 399 CA HIS A 26 13.116 -10.505 0.190 1.00 0.00 C ATOM 400 C HIS A 26 14.000 -9.967 -0.940 1.00 0.00 C ATOM 401 O HIS A 26 14.850 -10.684 -1.469 1.00 0.00 O ATOM 402 CB HIS A 26 11.798 -11.047 -0.385 1.00 0.00 C ATOM 403 CG HIS A 26 11.974 -11.999 -1.534 1.00 0.00 C ATOM 404 ND1 HIS A 26 11.607 -11.693 -2.827 1.00 0.00 N ATOM 405 CD2 HIS A 26 12.478 -13.255 -1.575 1.00 0.00 C ATOM 406 CE1 HIS A 26 11.880 -12.716 -3.614 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.406 -13.675 -2.879 1.00 0.00 N ATOM 0 H HIS A 26 11.861 -9.179 1.221 1.00 0.00 H new ATOM 0 HA HIS A 26 13.654 -11.314 0.684 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.248 -11.551 0.409 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.185 -10.208 -0.714 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.864 -13.820 -0.739 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.703 -12.760 -4.678 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.711 -14.585 -3.225 1.00 0.00 H new ATOM 416 N LYS A 27 13.800 -8.708 -1.296 1.00 0.00 N ATOM 417 CA LYS A 27 14.508 -8.106 -2.419 1.00 0.00 C ATOM 418 C LYS A 27 15.930 -7.721 -2.005 1.00 0.00 C ATOM 419 O LYS A 27 16.842 -7.696 -2.829 1.00 0.00 O ATOM 420 CB LYS A 27 13.727 -6.882 -2.921 1.00 0.00 C ATOM 421 CG LYS A 27 13.896 -6.581 -4.408 1.00 0.00 C ATOM 422 CD LYS A 27 15.214 -5.886 -4.713 1.00 0.00 C ATOM 423 CE LYS A 27 15.361 -5.598 -6.198 1.00 0.00 C ATOM 424 NZ LYS A 27 15.500 -6.845 -6.999 1.00 0.00 N1+ ATOM 0 H LYS A 27 13.151 -8.080 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 27 14.582 -8.829 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.668 -7.034 -2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.041 -6.009 -2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.840 -7.512 -4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.071 -5.953 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.273 -4.953 -4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.042 -6.511 -4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.492 -5.039 -6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.233 -4.965 -6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.530 -6.606 -8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.379 -7.333 -6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.689 -7.469 -6.814 1.00 0.00 H new ATOM 438 N LYS A 28 16.106 -7.431 -0.723 1.00 0.00 N ATOM 439 CA LYS A 28 17.420 -7.101 -0.179 1.00 0.00 C ATOM 440 C LYS A 28 18.315 -8.336 -0.134 1.00 0.00 C ATOM 441 O LYS A 28 19.492 -8.274 -0.491 1.00 0.00 O ATOM 442 CB LYS A 28 17.267 -6.513 1.221 1.00 0.00 C ATOM 443 CG LYS A 28 16.552 -5.173 1.240 1.00 0.00 C ATOM 444 CD LYS A 28 15.877 -4.918 2.577 1.00 0.00 C ATOM 445 CE LYS A 28 16.865 -4.925 3.726 1.00 0.00 C ATOM 446 NZ LYS A 28 16.175 -4.898 5.041 1.00 0.00 N1+ ATOM 0 H LYS A 28 15.352 -7.417 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 28 17.889 -6.364 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.717 -7.218 1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.255 -6.395 1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.266 -4.376 1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.807 -5.146 0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.365 -3.956 2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.116 -5.679 2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 28 17.492 -5.814 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.526 -4.062 3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.879 -4.801 5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.519 -4.092 5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.644 -5.782 5.172 1.00 0.00 H new ATOM 460 N LYS A 29 17.753 -9.450 0.321 1.00 0.00 N ATOM 461 CA LYS A 29 18.482 -10.716 0.363 1.00 0.00 C ATOM 462 C LYS A 29 18.727 -11.247 -1.043 1.00 0.00 C ATOM 463 O LYS A 29 19.769 -11.835 -1.324 1.00 0.00 O ATOM 464 CB LYS A 29 17.699 -11.747 1.172 1.00 0.00 C ATOM 465 CG LYS A 29 17.437 -11.314 2.600 1.00 0.00 C ATOM 466 CD LYS A 29 16.364 -12.162 3.251 1.00 0.00 C ATOM 467 CE LYS A 29 15.997 -11.621 4.618 1.00 0.00 C ATOM 468 NZ LYS A 29 17.035 -11.914 5.637 1.00 0.00 N1+ ATOM 0 H LYS A 29 16.795 -9.504 0.666 1.00 0.00 H new ATOM 0 HA LYS A 29 19.445 -10.537 0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.747 -11.940 0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.250 -12.687 1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.359 -11.386 3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.133 -10.267 2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.479 -12.185 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.715 -13.190 3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.850 -10.543 4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.048 -12.054 4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.740 -11.525 6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.158 -12.943 5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.935 -11.480 5.350 1.00 0.00 H new ATOM 482 N HIS A 30 17.763 -11.033 -1.924 1.00 0.00 N ATOM 483 CA HIS A 30 17.870 -11.500 -3.297 1.00 0.00 C ATOM 484 C HIS A 30 17.727 -10.351 -4.278 1.00 0.00 C ATOM 485 O HIS A 30 16.624 -10.041 -4.732 1.00 0.00 O ATOM 486 CB HIS A 30 16.822 -12.569 -3.606 1.00 0.00 C ATOM 487 CG HIS A 30 17.183 -13.932 -3.105 1.00 0.00 C ATOM 488 ND1 HIS A 30 17.913 -14.831 -3.848 1.00 0.00 N ATOM 489 CD2 HIS A 30 16.898 -14.552 -1.938 1.00 0.00 C ATOM 490 CE1 HIS A 30 18.062 -15.947 -3.159 1.00 0.00 C ATOM 491 NE2 HIS A 30 17.453 -15.806 -1.994 1.00 0.00 N ATOM 0 H HIS A 30 16.896 -10.538 -1.712 1.00 0.00 H new ATOM 0 HA HIS A 30 18.861 -11.940 -3.408 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.871 -12.270 -3.165 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.672 -12.617 -4.685 1.00 0.00 H new ATOM 0 HD1 HIS A 30 18.281 -14.662 -4.784 1.00 0.00 H new ATOM 0 HD2 HIS A 30 16.337 -14.137 -1.114 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.592 -16.827 -3.491 1.00 0.00 H new ATOM 500 N PRO A 31 18.844 -9.699 -4.620 1.00 0.00 N ATOM 501 CA PRO A 31 18.860 -8.614 -5.602 1.00 0.00 C ATOM 502 C PRO A 31 18.555 -9.136 -7.002 1.00 0.00 C ATOM 503 O PRO A 31 18.250 -8.373 -7.915 1.00 0.00 O ATOM 504 CB PRO A 31 20.294 -8.068 -5.527 1.00 0.00 C ATOM 505 CG PRO A 31 20.859 -8.627 -4.261 1.00 0.00 C ATOM 506 CD PRO A 31 20.184 -9.948 -4.068 1.00 0.00 C ATOM 0 HA PRO A 31 18.106 -7.854 -5.395 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.880 -8.380 -6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 31 20.300 -6.978 -5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 31 21.940 -8.746 -4.333 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.667 -7.962 -3.419 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.699 -10.749 -4.598 1.00 0.00 H new ATOM 0 HD3 PRO A 31 20.144 -10.235 -3.017 1.00 0.00 H new ATOM 514 N ASP A 32 18.622 -10.454 -7.143 1.00 0.00 N ATOM 515 CA ASP A 32 18.334 -11.122 -8.405 1.00 0.00 C ATOM 516 C ASP A 32 16.838 -11.373 -8.550 1.00 0.00 C ATOM 517 O ASP A 32 16.361 -11.742 -9.626 1.00 0.00 O ATOM 518 CB ASP A 32 19.074 -12.464 -8.475 1.00 0.00 C ATOM 519 CG ASP A 32 18.485 -13.515 -7.543 1.00 0.00 C ATOM 520 OD1 ASP A 32 18.776 -13.476 -6.327 1.00 0.00 O1- ATOM 521 OD2 ASP A 32 17.734 -14.393 -8.024 1.00 0.00 O ATOM 0 H ASP A 32 18.877 -11.089 -6.387 1.00 0.00 H new ATOM 0 HA ASP A 32 18.670 -10.474 -9.214 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.045 -12.836 -9.499 1.00 0.00 H new ATOM 0 HB3 ASP A 32 20.123 -12.308 -8.222 1.00 0.00 H new ATOM 526 N ALA A 33 16.100 -11.171 -7.466 1.00 0.00 N ATOM 527 CA ALA A 33 14.698 -11.543 -7.425 1.00 0.00 C ATOM 528 C ALA A 33 13.775 -10.342 -7.376 1.00 0.00 C ATOM 529 O ALA A 33 14.167 -9.232 -7.005 1.00 0.00 O ATOM 530 CB ALA A 33 14.419 -12.430 -6.224 1.00 0.00 C ATOM 0 H ALA A 33 16.452 -10.752 -6.605 1.00 0.00 H new ATOM 0 HA ALA A 33 14.496 -12.084 -8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.363 -12.700 -6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.024 -13.334 -6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.670 -11.893 -5.309 1.00 0.00 H new ATOM 536 N SER A 34 12.544 -10.602 -7.756 1.00 0.00 N ATOM 537 CA SER A 34 11.451 -9.674 -7.601 1.00 0.00 C ATOM 538 C SER A 34 10.266 -10.471 -7.069 1.00 0.00 C ATOM 539 O SER A 34 10.447 -11.585 -6.566 1.00 0.00 O ATOM 540 CB SER A 34 11.126 -9.005 -8.945 1.00 0.00 C ATOM 541 OG SER A 34 10.184 -7.954 -8.792 1.00 0.00 O ATOM 0 H SER A 34 12.271 -11.484 -8.190 1.00 0.00 H new ATOM 0 HA SER A 34 11.705 -8.873 -6.907 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.042 -8.612 -9.387 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.732 -9.750 -9.637 1.00 0.00 H new ATOM 0 HG SER A 34 10.001 -7.549 -9.665 1.00 0.00 H new ATOM 547 N VAL A 35 9.075 -9.919 -7.150 1.00 0.00 N ATOM 548 CA VAL A 35 7.882 -10.643 -6.738 1.00 0.00 C ATOM 549 C VAL A 35 6.789 -10.464 -7.778 1.00 0.00 C ATOM 550 O VAL A 35 6.906 -9.621 -8.669 1.00 0.00 O ATOM 551 CB VAL A 35 7.349 -10.171 -5.363 1.00 0.00 C ATOM 552 CG1 VAL A 35 8.424 -10.234 -4.289 1.00 0.00 C ATOM 553 CG2 VAL A 35 6.782 -8.770 -5.464 1.00 0.00 C ATOM 0 H VAL A 35 8.902 -8.975 -7.495 1.00 0.00 H new ATOM 0 HA VAL A 35 8.160 -11.693 -6.647 1.00 0.00 H new ATOM 0 HB VAL A 35 6.551 -10.853 -5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.010 -9.895 -3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.775 -11.261 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.258 -9.592 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.412 -8.456 -4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.562 -8.085 -5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.962 -8.760 -6.183 1.00 0.00 H new ATOM 563 N ASN A 36 5.740 -11.258 -7.676 1.00 0.00 N ATOM 564 CA ASN A 36 4.582 -11.088 -8.536 1.00 0.00 C ATOM 565 C ASN A 36 3.561 -10.212 -7.823 1.00 0.00 C ATOM 566 O ASN A 36 3.111 -10.553 -6.728 1.00 0.00 O ATOM 567 CB ASN A 36 3.960 -12.440 -8.901 1.00 0.00 C ATOM 568 CG ASN A 36 4.919 -13.380 -9.617 1.00 0.00 C ATOM 569 OD1 ASN A 36 4.827 -14.601 -9.468 1.00 0.00 O ATOM 570 ND2 ASN A 36 5.833 -12.833 -10.404 1.00 0.00 N ATOM 0 H ASN A 36 5.665 -12.025 -7.008 1.00 0.00 H new ATOM 0 HA ASN A 36 4.897 -10.610 -9.463 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.603 -12.923 -7.992 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.090 -12.271 -9.535 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.490 -13.426 -10.911 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.880 -11.819 -10.503 1.00 0.00 H new ATOM 577 N PHE A 37 3.218 -9.085 -8.440 1.00 0.00 N ATOM 578 CA PHE A 37 2.334 -8.095 -7.831 1.00 0.00 C ATOM 579 C PHE A 37 1.025 -8.711 -7.349 1.00 0.00 C ATOM 580 O PHE A 37 0.684 -8.595 -6.172 1.00 0.00 O ATOM 581 CB PHE A 37 2.041 -6.958 -8.814 1.00 0.00 C ATOM 582 CG PHE A 37 3.124 -5.919 -8.869 1.00 0.00 C ATOM 583 CD1 PHE A 37 4.196 -6.046 -9.741 1.00 0.00 C ATOM 584 CD2 PHE A 37 3.064 -4.807 -8.045 1.00 0.00 C ATOM 585 CE1 PHE A 37 5.184 -5.082 -9.787 1.00 0.00 C ATOM 586 CE2 PHE A 37 4.050 -3.841 -8.086 1.00 0.00 C ATOM 587 CZ PHE A 37 5.112 -3.978 -8.957 1.00 0.00 C ATOM 0 H PHE A 37 3.543 -8.832 -9.373 1.00 0.00 H new ATOM 0 HA PHE A 37 2.855 -7.697 -6.960 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.900 -7.377 -9.810 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.103 -6.479 -8.534 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.258 -6.907 -10.390 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.235 -4.694 -7.362 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.013 -5.190 -10.471 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.990 -2.979 -7.437 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.885 -3.225 -8.990 1.00 0.00 H new ATOM 597 N SER A 38 0.307 -9.379 -8.247 1.00 0.00 N ATOM 598 CA SER A 38 -0.998 -9.939 -7.918 1.00 0.00 C ATOM 599 C SER A 38 -0.873 -11.012 -6.842 1.00 0.00 C ATOM 600 O SER A 38 -1.694 -11.087 -5.930 1.00 0.00 O ATOM 601 CB SER A 38 -1.658 -10.521 -9.170 1.00 0.00 C ATOM 602 OG SER A 38 -1.778 -9.538 -10.189 1.00 0.00 O ATOM 0 H SER A 38 0.607 -9.545 -9.207 1.00 0.00 H new ATOM 0 HA SER A 38 -1.624 -9.136 -7.530 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.069 -11.361 -9.538 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.644 -10.910 -8.917 1.00 0.00 H new ATOM 0 HG SER A 38 -2.201 -9.935 -10.979 1.00 0.00 H new ATOM 608 N GLU A 39 0.174 -11.819 -6.944 1.00 0.00 N ATOM 609 CA GLU A 39 0.418 -12.888 -5.986 1.00 0.00 C ATOM 610 C GLU A 39 0.710 -12.335 -4.600 1.00 0.00 C ATOM 611 O GLU A 39 -0.068 -12.525 -3.664 1.00 0.00 O ATOM 612 CB GLU A 39 1.600 -13.745 -6.434 1.00 0.00 C ATOM 613 CG GLU A 39 1.300 -14.634 -7.620 1.00 0.00 C ATOM 614 CD GLU A 39 0.192 -15.625 -7.321 1.00 0.00 C ATOM 615 OE1 GLU A 39 0.360 -16.452 -6.395 1.00 0.00 O1- ATOM 616 OE2 GLU A 39 -0.861 -15.566 -7.985 1.00 0.00 O ATOM 0 H GLU A 39 0.872 -11.753 -7.685 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.486 -13.496 -5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.435 -13.091 -6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.922 -14.367 -5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.015 -14.017 -8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.203 -15.174 -7.906 1.00 0.00 H new ATOM 623 N PHE A 40 1.829 -11.635 -4.491 1.00 0.00 N ATOM 624 CA PHE A 40 2.349 -11.197 -3.204 1.00 0.00 C ATOM 625 C PHE A 40 1.357 -10.292 -2.477 1.00 0.00 C ATOM 626 O PHE A 40 1.161 -10.423 -1.268 1.00 0.00 O ATOM 627 CB PHE A 40 3.682 -10.478 -3.409 1.00 0.00 C ATOM 628 CG PHE A 40 4.397 -10.155 -2.130 1.00 0.00 C ATOM 629 CD1 PHE A 40 5.072 -11.142 -1.432 1.00 0.00 C ATOM 630 CD2 PHE A 40 4.389 -8.868 -1.627 1.00 0.00 C ATOM 631 CE1 PHE A 40 5.729 -10.849 -0.252 1.00 0.00 C ATOM 632 CE2 PHE A 40 5.042 -8.568 -0.447 1.00 0.00 C ATOM 633 CZ PHE A 40 5.712 -9.559 0.240 1.00 0.00 C ATOM 0 H PHE A 40 2.400 -11.355 -5.288 1.00 0.00 H new ATOM 0 HA PHE A 40 2.504 -12.076 -2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.328 -11.099 -4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.505 -9.554 -3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.085 -12.152 -1.814 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.867 -8.088 -2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.254 -11.626 0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.028 -7.559 -0.063 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.223 -9.326 1.162 1.00 0.00 H new ATOM 643 N SER A 41 0.724 -9.391 -3.214 1.00 0.00 N ATOM 644 CA SER A 41 -0.216 -8.450 -2.623 1.00 0.00 C ATOM 645 C SER A 41 -1.462 -9.157 -2.091 1.00 0.00 C ATOM 646 O SER A 41 -2.021 -8.751 -1.070 1.00 0.00 O ATOM 647 CB SER A 41 -0.594 -7.373 -3.641 1.00 0.00 C ATOM 648 OG SER A 41 0.532 -6.584 -3.979 1.00 0.00 O ATOM 0 H SER A 41 0.844 -9.292 -4.222 1.00 0.00 H new ATOM 0 HA SER A 41 0.273 -7.974 -1.773 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.999 -7.841 -4.539 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.379 -6.738 -3.231 1.00 0.00 H new ATOM 0 HG SER A 41 0.960 -6.951 -4.781 1.00 0.00 H new ATOM 654 N LYS A 42 -1.884 -10.228 -2.759 1.00 0.00 N ATOM 655 CA LYS A 42 -3.056 -10.974 -2.317 1.00 0.00 C ATOM 656 C LYS A 42 -2.726 -11.759 -1.053 1.00 0.00 C ATOM 657 O LYS A 42 -3.491 -11.749 -0.088 1.00 0.00 O ATOM 658 CB LYS A 42 -3.550 -11.930 -3.406 1.00 0.00 C ATOM 659 CG LYS A 42 -4.936 -12.496 -3.127 1.00 0.00 C ATOM 660 CD LYS A 42 -5.347 -13.528 -4.166 1.00 0.00 C ATOM 661 CE LYS A 42 -4.647 -14.859 -3.946 1.00 0.00 C ATOM 662 NZ LYS A 42 -5.158 -15.571 -2.744 1.00 0.00 N1+ ATOM 0 H LYS A 42 -1.437 -10.595 -3.599 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.851 -10.259 -2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.565 -11.405 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.842 -12.753 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.949 -12.952 -2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.664 -11.685 -3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.426 -13.674 -4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.112 -13.154 -5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.784 -15.489 -4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.576 -14.691 -3.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.906 -16.578 -2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.733 -15.158 -1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.193 -15.475 -2.697 1.00 0.00 H new ATOM 676 N LYS A 43 -1.569 -12.418 -1.063 1.00 0.00 N ATOM 677 CA LYS A 43 -1.119 -13.208 0.080 1.00 0.00 C ATOM 678 C LYS A 43 -1.022 -12.327 1.322 1.00 0.00 C ATOM 679 O LYS A 43 -1.481 -12.700 2.402 1.00 0.00 O ATOM 680 CB LYS A 43 0.248 -13.839 -0.203 1.00 0.00 C ATOM 681 CG LYS A 43 0.325 -14.570 -1.533 1.00 0.00 C ATOM 682 CD LYS A 43 1.720 -15.107 -1.800 1.00 0.00 C ATOM 683 CE LYS A 43 1.904 -15.467 -3.267 1.00 0.00 C ATOM 684 NZ LYS A 43 0.958 -16.520 -3.720 1.00 0.00 N1+ ATOM 0 H LYS A 43 -0.924 -12.420 -1.853 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.846 -14.001 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.009 -13.058 -0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.488 -14.537 0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.389 -15.394 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.036 -13.893 -2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.460 -14.361 -1.511 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.897 -15.988 -1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.767 -14.574 -3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.926 -15.809 -3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.031 -16.632 -4.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.193 -17.421 -3.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.013 -16.245 -3.470 1.00 0.00 H new ATOM 698 N CYS A 44 -0.430 -11.150 1.146 1.00 0.00 N ATOM 699 CA CYS A 44 -0.288 -10.193 2.230 1.00 0.00 C ATOM 700 C CYS A 44 -1.647 -9.691 2.702 1.00 0.00 C ATOM 701 O CYS A 44 -1.882 -9.567 3.901 1.00 0.00 O ATOM 702 CB CYS A 44 0.578 -9.016 1.782 1.00 0.00 C ATOM 703 SG CYS A 44 2.261 -9.482 1.321 1.00 0.00 S ATOM 0 H CYS A 44 -0.040 -10.838 0.257 1.00 0.00 H new ATOM 0 HA CYS A 44 0.197 -10.698 3.066 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.100 -8.529 0.932 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.622 -8.282 2.587 1.00 0.00 H new ATOM 0 HG CYS A 44 2.257 -9.998 0.128 1.00 0.00 H new ATOM 709 N SER A 45 -2.537 -9.421 1.758 1.00 0.00 N ATOM 710 CA SER A 45 -3.873 -8.933 2.077 1.00 0.00 C ATOM 711 C SER A 45 -4.573 -9.879 3.052 1.00 0.00 C ATOM 712 O SER A 45 -4.976 -9.479 4.145 1.00 0.00 O ATOM 713 CB SER A 45 -4.698 -8.791 0.793 1.00 0.00 C ATOM 714 OG SER A 45 -5.999 -8.290 1.061 1.00 0.00 O ATOM 0 H SER A 45 -2.358 -9.532 0.760 1.00 0.00 H new ATOM 0 HA SER A 45 -3.783 -7.956 2.552 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.185 -8.122 0.102 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.775 -9.760 0.300 1.00 0.00 H new ATOM 0 HG SER A 45 -5.956 -7.644 1.797 1.00 0.00 H new ATOM 720 N GLU A 46 -4.676 -11.138 2.661 1.00 0.00 N ATOM 721 CA GLU A 46 -5.383 -12.134 3.453 1.00 0.00 C ATOM 722 C GLU A 46 -4.678 -12.378 4.787 1.00 0.00 C ATOM 723 O GLU A 46 -5.318 -12.460 5.840 1.00 0.00 O ATOM 724 CB GLU A 46 -5.485 -13.431 2.651 1.00 0.00 C ATOM 725 CG GLU A 46 -6.056 -13.214 1.260 1.00 0.00 C ATOM 726 CD GLU A 46 -6.121 -14.487 0.446 1.00 0.00 C ATOM 727 OE1 GLU A 46 -5.115 -14.831 -0.216 1.00 0.00 O ATOM 728 OE2 GLU A 46 -7.180 -15.148 0.458 1.00 0.00 O1- ATOM 0 H GLU A 46 -4.277 -11.498 1.794 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.384 -11.765 3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.496 -13.881 2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.113 -14.139 3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.057 -12.792 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.445 -12.482 0.732 1.00 0.00 H new ATOM 735 N ARG A 47 -3.354 -12.459 4.736 1.00 0.00 N ATOM 736 CA ARG A 47 -2.552 -12.748 5.918 1.00 0.00 C ATOM 737 C ARG A 47 -2.651 -11.615 6.940 1.00 0.00 C ATOM 738 O ARG A 47 -2.807 -11.862 8.137 1.00 0.00 O ATOM 739 CB ARG A 47 -1.096 -12.971 5.510 1.00 0.00 C ATOM 740 CG ARG A 47 -0.261 -13.669 6.568 1.00 0.00 C ATOM 741 CD ARG A 47 1.146 -13.928 6.066 1.00 0.00 C ATOM 742 NE ARG A 47 1.923 -14.746 6.995 1.00 0.00 N ATOM 743 CZ ARG A 47 3.236 -14.623 7.170 1.00 0.00 C ATOM 744 NH1 ARG A 47 3.908 -13.688 6.511 1.00 0.00 N1+ ATOM 745 NH2 ARG A 47 3.877 -15.437 8.000 1.00 0.00 N ATOM 0 H ARG A 47 -2.810 -12.328 3.883 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.937 -13.654 6.386 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.072 -13.562 4.594 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.642 -12.007 5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.223 -13.056 7.469 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.732 -14.612 6.844 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.098 -14.427 5.098 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.655 -12.977 5.910 1.00 0.00 H new ATOM 0 HE ARG A 47 1.430 -15.452 7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.418 -13.064 5.870 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.915 -13.593 6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.363 -16.159 8.505 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.884 -15.341 8.133 1.00 0.00 H new ATOM 759 N TRP A 48 -2.576 -10.378 6.458 1.00 0.00 N ATOM 760 CA TRP A 48 -2.671 -9.202 7.319 1.00 0.00 C ATOM 761 C TRP A 48 -3.963 -9.209 8.121 1.00 0.00 C ATOM 762 O TRP A 48 -3.946 -9.047 9.343 1.00 0.00 O ATOM 763 CB TRP A 48 -2.588 -7.922 6.478 1.00 0.00 C ATOM 764 CG TRP A 48 -3.053 -6.685 7.198 1.00 0.00 C ATOM 765 CD1 TRP A 48 -4.323 -6.175 7.209 1.00 0.00 C ATOM 766 CD2 TRP A 48 -2.260 -5.799 7.997 1.00 0.00 C ATOM 767 NE1 TRP A 48 -4.368 -5.038 7.974 1.00 0.00 N ATOM 768 CE2 TRP A 48 -3.117 -4.784 8.466 1.00 0.00 C ATOM 769 CE3 TRP A 48 -0.915 -5.766 8.366 1.00 0.00 C ATOM 770 CZ2 TRP A 48 -2.667 -3.749 9.283 1.00 0.00 C ATOM 771 CZ3 TRP A 48 -0.471 -4.738 9.174 1.00 0.00 C ATOM 772 CH2 TRP A 48 -1.344 -3.744 9.625 1.00 0.00 C ATOM 0 H TRP A 48 -2.449 -10.163 5.469 1.00 0.00 H new ATOM 0 HA TRP A 48 -1.835 -9.230 8.018 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.557 -7.777 6.157 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.187 -8.052 5.577 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.167 -6.606 6.691 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.199 -4.473 8.148 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.233 -6.531 8.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.339 -2.979 9.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.569 -4.701 9.463 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.965 -2.955 10.257 1.00 0.00 H new ATOM 783 N LYS A 49 -5.077 -9.408 7.426 1.00 0.00 N ATOM 784 CA LYS A 49 -6.393 -9.333 8.045 1.00 0.00 C ATOM 785 C LYS A 49 -6.503 -10.314 9.208 1.00 0.00 C ATOM 786 O LYS A 49 -7.111 -10.008 10.237 1.00 0.00 O ATOM 787 CB LYS A 49 -7.492 -9.622 7.015 1.00 0.00 C ATOM 788 CG LYS A 49 -7.382 -8.805 5.734 1.00 0.00 C ATOM 789 CD LYS A 49 -8.603 -8.997 4.851 1.00 0.00 C ATOM 790 CE LYS A 49 -8.448 -8.303 3.507 1.00 0.00 C ATOM 791 NZ LYS A 49 -8.134 -6.861 3.657 1.00 0.00 N1+ ATOM 0 H LYS A 49 -5.094 -9.623 6.429 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.525 -8.321 8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.465 -10.681 6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.462 -9.429 7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.272 -7.749 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.486 -9.099 5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.772 -10.062 4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.484 -8.607 5.361 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.656 -8.789 2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.368 -8.416 2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.489 -6.340 2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.588 -6.495 4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.104 -6.736 3.729 1.00 0.00 H new ATOM 805 N THR A 50 -5.877 -11.472 9.053 1.00 0.00 N ATOM 806 CA THR A 50 -5.993 -12.542 10.033 1.00 0.00 C ATOM 807 C THR A 50 -5.012 -12.390 11.203 1.00 0.00 C ATOM 808 O THR A 50 -5.002 -13.219 12.115 1.00 0.00 O ATOM 809 CB THR A 50 -5.780 -13.911 9.366 1.00 0.00 C ATOM 810 OG1 THR A 50 -4.483 -13.973 8.754 1.00 0.00 O ATOM 811 CG2 THR A 50 -6.849 -14.167 8.313 1.00 0.00 C ATOM 0 H THR A 50 -5.282 -11.695 8.255 1.00 0.00 H new ATOM 0 HA THR A 50 -7.003 -12.476 10.439 1.00 0.00 H new ATOM 0 HB THR A 50 -5.851 -14.677 10.138 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.057 -13.092 8.801 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.681 -15.141 7.853 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.833 -14.153 8.782 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.800 -13.391 7.549 1.00 0.00 H new ATOM 819 N MET A 51 -4.193 -11.339 11.189 1.00 0.00 N ATOM 820 CA MET A 51 -3.223 -11.124 12.267 1.00 0.00 C ATOM 821 C MET A 51 -3.872 -10.429 13.462 1.00 0.00 C ATOM 822 O MET A 51 -5.015 -9.977 13.386 1.00 0.00 O ATOM 823 CB MET A 51 -2.019 -10.304 11.791 1.00 0.00 C ATOM 824 CG MET A 51 -1.140 -11.022 10.779 1.00 0.00 C ATOM 825 SD MET A 51 0.472 -10.236 10.570 1.00 0.00 S ATOM 826 CE MET A 51 -0.015 -8.556 10.186 1.00 0.00 C ATOM 0 H MET A 51 -4.179 -10.631 10.455 1.00 0.00 H new ATOM 0 HA MET A 51 -2.872 -12.109 12.575 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.378 -9.374 11.350 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.413 -10.033 12.655 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.997 -12.055 11.097 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.652 -11.052 9.817 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.586 -8.184 9.356 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.069 -8.537 9.908 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.141 -7.923 11.060 1.00 0.00 H new ATOM 836 N SER A 52 -3.130 -10.338 14.556 1.00 0.00 N ATOM 837 CA SER A 52 -3.634 -9.740 15.784 1.00 0.00 C ATOM 838 C SER A 52 -3.329 -8.242 15.826 1.00 0.00 C ATOM 839 O SER A 52 -2.520 -7.741 15.039 1.00 0.00 O ATOM 840 CB SER A 52 -3.012 -10.438 16.996 1.00 0.00 C ATOM 841 OG SER A 52 -3.237 -11.841 16.956 1.00 0.00 O ATOM 0 H SER A 52 -2.169 -10.674 14.618 1.00 0.00 H new ATOM 0 HA SER A 52 -4.716 -9.868 15.812 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.940 -10.240 17.022 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.435 -10.026 17.912 1.00 0.00 H new ATOM 0 HG SER A 52 -2.827 -12.261 17.741 1.00 0.00 H new ATOM 847 N ALA A 53 -3.972 -7.539 16.753 1.00 0.00 N ATOM 848 CA ALA A 53 -3.797 -6.098 16.894 1.00 0.00 C ATOM 849 C ALA A 53 -2.361 -5.750 17.267 1.00 0.00 C ATOM 850 O ALA A 53 -1.842 -4.721 16.847 1.00 0.00 O ATOM 851 CB ALA A 53 -4.763 -5.543 17.931 1.00 0.00 C ATOM 0 H ALA A 53 -4.624 -7.948 17.422 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.015 -5.639 15.930 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.619 -4.467 18.023 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.788 -5.746 17.619 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.576 -6.018 18.894 1.00 0.00 H new ATOM 857 N LYS A 54 -1.726 -6.615 18.051 1.00 0.00 N ATOM 858 CA LYS A 54 -0.326 -6.437 18.429 1.00 0.00 C ATOM 859 C LYS A 54 0.557 -6.309 17.189 1.00 0.00 C ATOM 860 O LYS A 54 1.403 -5.417 17.097 1.00 0.00 O ATOM 861 CB LYS A 54 0.145 -7.628 19.272 1.00 0.00 C ATOM 862 CG LYS A 54 1.598 -7.525 19.717 1.00 0.00 C ATOM 863 CD LYS A 54 2.077 -8.799 20.398 1.00 0.00 C ATOM 864 CE LYS A 54 1.328 -9.072 21.697 1.00 0.00 C ATOM 865 NZ LYS A 54 1.505 -7.978 22.692 1.00 0.00 N1+ ATOM 0 H LYS A 54 -2.161 -7.452 18.440 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.244 -5.521 19.014 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.491 -7.712 20.153 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.014 -8.544 18.696 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.228 -7.317 18.852 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.709 -6.684 20.402 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.946 -9.643 19.720 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.144 -8.719 20.605 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.267 -9.197 21.482 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.679 -10.011 22.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.139 -8.286 23.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.516 -7.748 22.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.984 -7.135 22.377 1.00 0.00 H new ATOM 879 N GLU A 55 0.334 -7.199 16.234 1.00 0.00 N ATOM 880 CA GLU A 55 1.144 -7.260 15.025 1.00 0.00 C ATOM 881 C GLU A 55 0.807 -6.095 14.102 1.00 0.00 C ATOM 882 O GLU A 55 1.695 -5.430 13.572 1.00 0.00 O ATOM 883 CB GLU A 55 0.901 -8.593 14.318 1.00 0.00 C ATOM 884 CG GLU A 55 1.065 -9.785 15.249 1.00 0.00 C ATOM 885 CD GLU A 55 0.609 -11.086 14.633 1.00 0.00 C ATOM 886 OE1 GLU A 55 -0.617 -11.301 14.537 1.00 0.00 O ATOM 887 OE2 GLU A 55 1.473 -11.908 14.263 1.00 0.00 O1- ATOM 0 H GLU A 55 -0.409 -7.896 16.274 1.00 0.00 H new ATOM 0 HA GLU A 55 2.198 -7.186 15.293 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.105 -8.600 13.898 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.595 -8.690 13.483 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.113 -9.873 15.535 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.499 -9.605 16.163 1.00 0.00 H new ATOM 894 N LYS A 56 -0.484 -5.846 13.932 1.00 0.00 N ATOM 895 CA LYS A 56 -0.958 -4.738 13.108 1.00 0.00 C ATOM 896 C LYS A 56 -0.481 -3.400 13.670 1.00 0.00 C ATOM 897 O LYS A 56 -0.031 -2.526 12.927 1.00 0.00 O ATOM 898 CB LYS A 56 -2.486 -4.765 13.021 1.00 0.00 C ATOM 899 CG LYS A 56 -3.027 -5.987 12.296 1.00 0.00 C ATOM 900 CD LYS A 56 -4.536 -6.103 12.428 1.00 0.00 C ATOM 901 CE LYS A 56 -5.062 -7.320 11.683 1.00 0.00 C ATOM 902 NZ LYS A 56 -6.495 -7.588 11.979 1.00 0.00 N1+ ATOM 0 H LYS A 56 -1.228 -6.400 14.356 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.544 -4.852 12.106 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.901 -4.736 14.029 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.830 -3.866 12.509 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.758 -5.932 11.241 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.557 -6.885 12.698 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.807 -6.173 13.481 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.008 -5.202 12.037 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.937 -7.169 10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.468 -8.193 11.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.817 -8.406 11.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.608 -7.792 12.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.063 -6.754 11.729 1.00 0.00 H new ATOM 916 N GLY A 57 -0.561 -3.261 14.990 1.00 0.00 N ATOM 917 CA GLY A 57 -0.112 -2.051 15.653 1.00 0.00 C ATOM 918 C GLY A 57 1.383 -1.845 15.520 1.00 0.00 C ATOM 919 O GLY A 57 1.861 -0.711 15.509 1.00 0.00 O ATOM 0 H GLY A 57 -0.933 -3.974 15.618 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.634 -1.192 15.231 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.378 -2.098 16.709 1.00 0.00 H new ATOM 923 N LYS A 58 2.117 -2.946 15.416 1.00 0.00 N ATOM 924 CA LYS A 58 3.555 -2.899 15.190 1.00 0.00 C ATOM 925 C LYS A 58 3.859 -2.211 13.862 1.00 0.00 C ATOM 926 O LYS A 58 4.697 -1.310 13.790 1.00 0.00 O ATOM 927 CB LYS A 58 4.131 -4.318 15.199 1.00 0.00 C ATOM 928 CG LYS A 58 5.613 -4.391 14.870 1.00 0.00 C ATOM 929 CD LYS A 58 6.093 -5.832 14.771 1.00 0.00 C ATOM 930 CE LYS A 58 5.308 -6.611 13.725 1.00 0.00 C ATOM 931 NZ LYS A 58 5.864 -7.972 13.512 1.00 0.00 N1+ ATOM 0 H LYS A 58 1.735 -3.889 15.485 1.00 0.00 H new ATOM 0 HA LYS A 58 4.021 -2.325 15.991 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.966 -4.759 16.182 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.581 -4.926 14.481 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.803 -3.878 13.927 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.183 -3.869 15.638 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.153 -5.847 14.518 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.990 -6.318 15.741 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.267 -6.690 14.037 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.318 -6.064 12.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.301 -8.468 12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.850 -7.898 13.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.831 -8.504 14.405 1.00 0.00 H new ATOM 945 N PHE A 59 3.160 -2.629 12.810 1.00 0.00 N ATOM 946 CA PHE A 59 3.326 -2.018 11.498 1.00 0.00 C ATOM 947 C PHE A 59 2.815 -0.583 11.513 1.00 0.00 C ATOM 948 O PHE A 59 3.379 0.296 10.863 1.00 0.00 O ATOM 949 CB PHE A 59 2.594 -2.821 10.418 1.00 0.00 C ATOM 950 CG PHE A 59 3.195 -4.173 10.161 1.00 0.00 C ATOM 951 CD1 PHE A 59 4.303 -4.307 9.342 1.00 0.00 C ATOM 952 CD2 PHE A 59 2.656 -5.309 10.740 1.00 0.00 C ATOM 953 CE1 PHE A 59 4.861 -5.548 9.105 1.00 0.00 C ATOM 954 CE2 PHE A 59 3.208 -6.552 10.507 1.00 0.00 C ATOM 955 CZ PHE A 59 4.314 -6.672 9.687 1.00 0.00 C ATOM 0 H PHE A 59 2.476 -3.385 12.842 1.00 0.00 H new ATOM 0 HA PHE A 59 4.390 -2.016 11.262 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.552 -2.946 10.714 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.595 -2.250 9.490 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.736 -3.431 8.883 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.792 -5.221 11.382 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.726 -5.638 8.464 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.776 -7.430 10.965 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.749 -7.643 9.503 1.00 0.00 H new ATOM 965 N GLU A 60 1.747 -0.355 12.270 1.00 0.00 N ATOM 966 CA GLU A 60 1.170 0.974 12.410 1.00 0.00 C ATOM 967 C GLU A 60 2.182 1.922 13.040 1.00 0.00 C ATOM 968 O GLU A 60 2.364 3.050 12.586 1.00 0.00 O ATOM 969 CB GLU A 60 -0.093 0.914 13.271 1.00 0.00 C ATOM 970 CG GLU A 60 -0.907 2.196 13.249 1.00 0.00 C ATOM 971 CD GLU A 60 -1.588 2.425 11.916 1.00 0.00 C ATOM 972 OE1 GLU A 60 -0.975 3.051 11.028 1.00 0.00 O1- ATOM 973 OE2 GLU A 60 -2.744 1.979 11.752 1.00 0.00 O ATOM 0 H GLU A 60 1.262 -1.080 12.799 1.00 0.00 H new ATOM 0 HA GLU A 60 0.905 1.345 11.420 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.719 0.091 12.926 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.189 0.691 14.300 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.660 2.159 14.037 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.255 3.041 13.471 1.00 0.00 H new ATOM 980 N ASP A 61 2.853 1.441 14.078 1.00 0.00 N ATOM 981 CA ASP A 61 3.846 2.232 14.793 1.00 0.00 C ATOM 982 C ASP A 61 5.005 2.602 13.877 1.00 0.00 C ATOM 983 O ASP A 61 5.462 3.744 13.870 1.00 0.00 O ATOM 984 CB ASP A 61 4.361 1.464 16.011 1.00 0.00 C ATOM 985 CG ASP A 61 5.410 2.236 16.783 1.00 0.00 C ATOM 986 OD1 ASP A 61 5.040 3.016 17.686 1.00 0.00 O ATOM 987 OD2 ASP A 61 6.609 2.069 16.495 1.00 0.00 O1- ATOM 0 H ASP A 61 2.726 0.498 14.446 1.00 0.00 H new ATOM 0 HA ASP A 61 3.369 3.151 15.132 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.525 1.234 16.671 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.781 0.513 15.685 1.00 0.00 H new ATOM 992 N MET A 62 5.468 1.636 13.092 1.00 0.00 N ATOM 993 CA MET A 62 6.544 1.884 12.138 1.00 0.00 C ATOM 994 C MET A 62 6.105 2.900 11.093 1.00 0.00 C ATOM 995 O MET A 62 6.887 3.761 10.683 1.00 0.00 O ATOM 996 CB MET A 62 6.988 0.587 11.454 1.00 0.00 C ATOM 997 CG MET A 62 7.629 -0.412 12.402 1.00 0.00 C ATOM 998 SD MET A 62 8.347 -1.831 11.547 1.00 0.00 S ATOM 999 CE MET A 62 6.896 -2.545 10.778 1.00 0.00 C ATOM 0 H MET A 62 5.118 0.678 13.096 1.00 0.00 H new ATOM 0 HA MET A 62 7.393 2.287 12.691 1.00 0.00 H new ATOM 0 HB2 MET A 62 6.124 0.122 10.980 1.00 0.00 H new ATOM 0 HB3 MET A 62 7.696 0.828 10.661 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.406 0.089 12.979 1.00 0.00 H new ATOM 0 HG3 MET A 62 6.881 -0.763 13.112 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.185 -3.422 10.199 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.183 -2.838 11.548 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.435 -1.810 10.118 1.00 0.00 H new ATOM 1009 N ALA A 63 4.845 2.805 10.682 1.00 0.00 N ATOM 1010 CA ALA A 63 4.278 3.737 9.719 1.00 0.00 C ATOM 1011 C ALA A 63 4.259 5.156 10.279 1.00 0.00 C ATOM 1012 O ALA A 63 4.518 6.114 9.559 1.00 0.00 O ATOM 1013 CB ALA A 63 2.873 3.303 9.323 1.00 0.00 C ATOM 0 H ALA A 63 4.196 2.087 11.004 1.00 0.00 H new ATOM 0 HA ALA A 63 4.909 3.732 8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.463 4.011 8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.912 2.310 8.875 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.237 3.277 10.208 1.00 0.00 H new ATOM 1019 N LYS A 64 3.962 5.284 11.571 1.00 0.00 N ATOM 1020 CA LYS A 64 3.951 6.592 12.226 1.00 0.00 C ATOM 1021 C LYS A 64 5.331 7.240 12.157 1.00 0.00 C ATOM 1022 O LYS A 64 5.455 8.447 11.938 1.00 0.00 O ATOM 1023 CB LYS A 64 3.520 6.476 13.693 1.00 0.00 C ATOM 1024 CG LYS A 64 2.154 5.838 13.889 1.00 0.00 C ATOM 1025 CD LYS A 64 1.637 5.978 15.319 1.00 0.00 C ATOM 1026 CE LYS A 64 2.463 5.187 16.329 1.00 0.00 C ATOM 1027 NZ LYS A 64 3.718 5.887 16.716 1.00 0.00 N1+ ATOM 0 H LYS A 64 3.727 4.503 12.183 1.00 0.00 H new ATOM 0 HA LYS A 64 3.230 7.215 11.696 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.264 5.891 14.234 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.512 7.471 14.138 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.442 6.297 13.203 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.211 4.781 13.630 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.640 7.031 15.600 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.601 5.640 15.360 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.863 5.005 17.221 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.710 4.213 15.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.534 5.389 16.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.694 6.864 16.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.804 5.897 17.752 1.00 0.00 H new ATOM 1041 N ALA A 65 6.364 6.423 12.332 1.00 0.00 N ATOM 1042 CA ALA A 65 7.738 6.907 12.321 1.00 0.00 C ATOM 1043 C ALA A 65 8.143 7.359 10.921 1.00 0.00 C ATOM 1044 O ALA A 65 8.853 8.353 10.761 1.00 0.00 O ATOM 1045 CB ALA A 65 8.688 5.827 12.825 1.00 0.00 C ATOM 0 H ALA A 65 6.274 5.418 12.484 1.00 0.00 H new ATOM 0 HA ALA A 65 7.801 7.766 12.989 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.710 6.206 12.810 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.418 5.552 13.844 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.616 4.950 12.181 1.00 0.00 H new ATOM 1051 N ASP A 66 7.681 6.628 9.914 1.00 0.00 N ATOM 1052 CA ASP A 66 8.003 6.945 8.527 1.00 0.00 C ATOM 1053 C ASP A 66 7.175 8.142 8.058 1.00 0.00 C ATOM 1054 O ASP A 66 7.648 8.981 7.292 1.00 0.00 O ATOM 1055 CB ASP A 66 7.733 5.730 7.642 1.00 0.00 C ATOM 1056 CG ASP A 66 8.731 5.590 6.509 1.00 0.00 C ATOM 1057 OD1 ASP A 66 8.593 6.293 5.492 1.00 0.00 O1- ATOM 1058 OD2 ASP A 66 9.672 4.768 6.637 1.00 0.00 O ATOM 0 H ASP A 66 7.082 5.811 10.031 1.00 0.00 H new ATOM 0 HA ASP A 66 9.059 7.204 8.454 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.758 4.829 8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.728 5.806 7.227 1.00 0.00 H new ATOM 1063 N LYS A 67 5.940 8.213 8.549 1.00 0.00 N ATOM 1064 CA LYS A 67 5.040 9.329 8.273 1.00 0.00 C ATOM 1065 C LYS A 67 5.666 10.653 8.709 1.00 0.00 C ATOM 1066 O LYS A 67 5.639 11.634 7.967 1.00 0.00 O ATOM 1067 CB LYS A 67 3.698 9.087 8.991 1.00 0.00 C ATOM 1068 CG LYS A 67 2.663 10.195 8.835 1.00 0.00 C ATOM 1069 CD LYS A 67 2.783 11.242 9.933 1.00 0.00 C ATOM 1070 CE LYS A 67 1.644 12.245 9.873 1.00 0.00 C ATOM 1071 NZ LYS A 67 1.737 13.267 10.949 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.535 7.496 9.151 1.00 0.00 H new ATOM 0 HA LYS A 67 4.863 9.392 7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.269 8.157 8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.895 8.944 10.054 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.786 10.673 7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.663 9.763 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.786 10.751 10.906 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.735 11.765 9.836 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.650 12.741 8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.694 11.718 9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.069 14.039 10.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.503 12.830 11.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.704 13.647 10.984 1.00 0.00 H new ATOM 1085 N ALA A 68 6.230 10.675 9.909 1.00 0.00 N ATOM 1086 CA ALA A 68 6.862 11.882 10.431 1.00 0.00 C ATOM 1087 C ALA A 68 8.121 12.226 9.641 1.00 0.00 C ATOM 1088 O ALA A 68 8.408 13.397 9.388 1.00 0.00 O ATOM 1089 CB ALA A 68 7.190 11.710 11.906 1.00 0.00 C ATOM 0 H ALA A 68 6.264 9.874 10.539 1.00 0.00 H new ATOM 0 HA ALA A 68 6.160 12.708 10.322 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.661 12.618 12.282 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.273 11.520 12.463 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.872 10.869 12.031 1.00 0.00 H new ATOM 1095 N ARG A 69 8.865 11.201 9.247 1.00 0.00 N ATOM 1096 CA ARG A 69 10.066 11.400 8.447 1.00 0.00 C ATOM 1097 C ARG A 69 9.682 11.947 7.079 1.00 0.00 C ATOM 1098 O ARG A 69 10.376 12.792 6.510 1.00 0.00 O ATOM 1099 CB ARG A 69 10.826 10.084 8.292 1.00 0.00 C ATOM 1100 CG ARG A 69 12.250 10.249 7.783 1.00 0.00 C ATOM 1101 CD ARG A 69 12.907 8.899 7.531 1.00 0.00 C ATOM 1102 NE ARG A 69 12.696 7.971 8.642 1.00 0.00 N ATOM 1103 CZ ARG A 69 12.059 6.808 8.514 1.00 0.00 C ATOM 1104 NH1 ARG A 69 11.682 6.389 7.313 1.00 0.00 N1+ ATOM 1105 NH2 ARG A 69 11.816 6.054 9.582 1.00 0.00 N ATOM 0 H ARG A 69 8.659 10.227 9.467 1.00 0.00 H new ATOM 0 HA ARG A 69 10.715 12.116 8.952 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.852 9.576 9.256 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.278 9.438 7.606 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.244 10.831 6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 69 12.836 10.811 8.511 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.505 8.466 6.615 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.976 9.040 7.374 1.00 0.00 H new ATOM 0 HE ARG A 69 13.055 8.228 9.562 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.880 6.957 6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.194 5.499 7.213 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.118 6.365 10.505 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.328 5.164 9.478 1.00 0.00 H new ATOM 1119 N TYR A 70 8.563 11.454 6.564 1.00 0.00 N ATOM 1120 CA TYR A 70 8.006 11.924 5.313 1.00 0.00 C ATOM 1121 C TYR A 70 7.663 13.404 5.408 1.00 0.00 C ATOM 1122 O TYR A 70 8.014 14.181 4.526 1.00 0.00 O ATOM 1123 CB TYR A 70 6.758 11.105 4.980 1.00 0.00 C ATOM 1124 CG TYR A 70 6.086 11.493 3.689 1.00 0.00 C ATOM 1125 CD1 TYR A 70 5.106 12.474 3.663 1.00 0.00 C ATOM 1126 CD2 TYR A 70 6.423 10.874 2.496 1.00 0.00 C ATOM 1127 CE1 TYR A 70 4.480 12.826 2.487 1.00 0.00 C ATOM 1128 CE2 TYR A 70 5.800 11.216 1.316 1.00 0.00 C ATOM 1129 CZ TYR A 70 4.831 12.193 1.313 1.00 0.00 C ATOM 1130 OH TYR A 70 4.202 12.526 0.134 1.00 0.00 O ATOM 0 H TYR A 70 8.018 10.715 7.008 1.00 0.00 H new ATOM 0 HA TYR A 70 8.742 11.798 4.519 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.032 10.051 4.930 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.041 11.210 5.795 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.829 12.971 4.581 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.187 10.111 2.491 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.719 13.593 2.485 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.071 10.719 0.396 1.00 0.00 H new ATOM 0 HH TYR A 70 4.570 11.986 -0.597 1.00 0.00 H new ATOM 1140 N GLU A 71 6.987 13.784 6.491 1.00 0.00 N ATOM 1141 CA GLU A 71 6.596 15.167 6.718 1.00 0.00 C ATOM 1142 C GLU A 71 7.800 16.100 6.709 1.00 0.00 C ATOM 1143 O GLU A 71 7.729 17.218 6.188 1.00 0.00 O ATOM 1144 CB GLU A 71 5.875 15.286 8.053 1.00 0.00 C ATOM 1145 CG GLU A 71 4.492 14.672 8.063 1.00 0.00 C ATOM 1146 CD GLU A 71 3.670 15.160 9.231 1.00 0.00 C ATOM 1147 OE1 GLU A 71 3.862 14.652 10.354 1.00 0.00 O1- ATOM 1148 OE2 GLU A 71 2.824 16.057 9.032 1.00 0.00 O ATOM 0 H GLU A 71 6.698 13.143 7.230 1.00 0.00 H new ATOM 0 HA GLU A 71 5.931 15.462 5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.479 14.808 8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.795 16.340 8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.980 14.915 7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.577 13.586 8.107 1.00 0.00 H new ATOM 1390 N GLN B 16 -33.103 8.032 13.096 1.00 0.00 N ATOM 1391 CA GLN B 16 -32.418 6.751 13.138 1.00 0.00 C ATOM 1392 C GLN B 16 -31.102 6.869 13.893 1.00 0.00 C ATOM 1393 O GLN B 16 -30.091 7.301 13.339 1.00 0.00 O ATOM 1394 CB GLN B 16 -32.163 6.230 11.725 1.00 0.00 C ATOM 1395 CG GLN B 16 -33.431 5.914 10.951 1.00 0.00 C ATOM 1396 CD GLN B 16 -33.141 5.449 9.538 1.00 0.00 C ATOM 1397 OE1 GLN B 16 -32.163 5.872 8.926 1.00 0.00 O ATOM 1398 NE2 GLN B 16 -33.974 4.564 9.020 1.00 0.00 N ATOM 0 HA GLN B 16 -33.060 6.043 13.662 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -31.586 6.972 11.173 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -31.551 5.330 11.784 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -33.992 5.142 11.477 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -34.064 6.801 10.917 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -34.774 4.239 9.562 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -33.817 4.206 8.078 1.00 0.00 H new ATOM 1407 N GLU B 17 -31.127 6.493 15.161 1.00 0.00 N ATOM 1408 CA GLU B 17 -29.945 6.568 16.009 1.00 0.00 C ATOM 1409 C GLU B 17 -29.147 5.274 15.927 1.00 0.00 C ATOM 1410 O GLU B 17 -27.918 5.289 15.857 1.00 0.00 O ATOM 1411 CB GLU B 17 -30.357 6.834 17.454 1.00 0.00 C ATOM 1412 CG GLU B 17 -31.222 8.071 17.613 1.00 0.00 C ATOM 1413 CD GLU B 17 -31.728 8.250 19.028 1.00 0.00 C ATOM 1414 OE1 GLU B 17 -30.903 8.488 19.937 1.00 0.00 O ATOM 1415 OE2 GLU B 17 -32.956 8.166 19.236 1.00 0.00 O1- ATOM 0 H GLU B 17 -31.957 6.130 15.629 1.00 0.00 H new ATOM 0 HA GLU B 17 -29.317 7.387 15.659 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -30.899 5.969 17.835 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -29.461 6.944 18.066 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -30.648 8.951 17.322 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -32.071 8.006 16.933 1.00 0.00 H new ATOM 1422 N THR B 18 -29.855 4.158 15.954 1.00 0.00 N ATOM 1423 CA THR B 18 -29.230 2.849 15.841 1.00 0.00 C ATOM 1424 C THR B 18 -29.455 2.254 14.447 1.00 0.00 C ATOM 1425 O THR B 18 -28.663 1.443 13.968 1.00 0.00 O ATOM 1426 CB THR B 18 -29.808 1.885 16.897 1.00 0.00 C ATOM 1427 OG1 THR B 18 -29.990 2.575 18.142 1.00 0.00 O ATOM 1428 CG2 THR B 18 -28.892 0.689 17.108 1.00 0.00 C ATOM 0 H THR B 18 -30.870 4.131 16.054 1.00 0.00 H new ATOM 0 HA THR B 18 -28.160 2.977 16.007 1.00 0.00 H new ATOM 0 HB THR B 18 -30.770 1.523 16.533 1.00 0.00 H new ATOM 0 HG1 THR B 18 -30.359 1.957 18.807 1.00 0.00 H new ATOM 0 HG21 THR B 18 -29.325 0.027 17.858 1.00 0.00 H new ATOM 0 HG22 THR B 18 -28.778 0.148 16.169 1.00 0.00 H new ATOM 0 HG23 THR B 18 -27.916 1.034 17.449 1.00 0.00 H new ATOM 1436 N PHE B 19 -30.530 2.684 13.791 1.00 0.00 N ATOM 1437 CA PHE B 19 -30.962 2.084 12.528 1.00 0.00 C ATOM 1438 C PHE B 19 -29.963 2.309 11.393 1.00 0.00 C ATOM 1439 O PHE B 19 -29.817 1.463 10.513 1.00 0.00 O ATOM 1440 CB PHE B 19 -32.336 2.628 12.135 1.00 0.00 C ATOM 1441 CG PHE B 19 -33.419 2.292 13.121 1.00 0.00 C ATOM 1442 CD1 PHE B 19 -34.063 1.068 13.066 1.00 0.00 C ATOM 1443 CD2 PHE B 19 -33.793 3.199 14.101 1.00 0.00 C ATOM 1444 CE1 PHE B 19 -35.059 0.752 13.970 1.00 0.00 C ATOM 1445 CE2 PHE B 19 -34.789 2.888 15.006 1.00 0.00 C ATOM 1446 CZ PHE B 19 -35.422 1.664 14.940 1.00 0.00 C ATOM 0 H PHE B 19 -31.122 3.450 14.114 1.00 0.00 H new ATOM 0 HA PHE B 19 -31.021 1.008 12.689 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -32.273 3.711 12.032 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -32.609 2.230 11.158 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -33.784 0.352 12.308 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -33.300 4.158 14.157 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -35.553 -0.207 13.918 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -35.072 3.603 15.765 1.00 0.00 H new ATOM 0 HZ PHE B 19 -36.201 1.420 15.647 1.00 0.00 H new ATOM 1456 N SER B 20 -29.259 3.429 11.417 1.00 0.00 N ATOM 1457 CA SER B 20 -28.311 3.747 10.358 1.00 0.00 C ATOM 1458 C SER B 20 -26.978 3.027 10.602 1.00 0.00 C ATOM 1459 O SER B 20 -26.052 3.096 9.792 1.00 0.00 O ATOM 1460 CB SER B 20 -28.116 5.268 10.289 1.00 0.00 C ATOM 1461 OG SER B 20 -27.299 5.654 9.197 1.00 0.00 O ATOM 0 H SER B 20 -29.324 4.131 12.154 1.00 0.00 H new ATOM 0 HA SER B 20 -28.703 3.402 9.401 1.00 0.00 H new ATOM 0 HB2 SER B 20 -29.088 5.754 10.203 1.00 0.00 H new ATOM 0 HB3 SER B 20 -27.666 5.617 11.218 1.00 0.00 H new ATOM 0 HG SER B 20 -26.638 4.953 9.019 1.00 0.00 H new ATOM 1467 N ASP B 21 -26.898 2.322 11.725 1.00 0.00 N ATOM 1468 CA ASP B 21 -25.691 1.592 12.098 1.00 0.00 C ATOM 1469 C ASP B 21 -25.837 0.106 11.776 1.00 0.00 C ATOM 1470 O ASP B 21 -24.849 -0.618 11.656 1.00 0.00 O ATOM 1471 CB ASP B 21 -25.421 1.778 13.594 1.00 0.00 C ATOM 1472 CG ASP B 21 -24.073 1.239 14.026 1.00 0.00 C ATOM 1473 OD1 ASP B 21 -23.072 1.981 13.928 1.00 0.00 O1- ATOM 1474 OD2 ASP B 21 -24.004 0.079 14.478 1.00 0.00 O ATOM 0 H ASP B 21 -27.661 2.240 12.398 1.00 0.00 H new ATOM 0 HA ASP B 21 -24.852 1.986 11.525 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -25.477 2.839 13.838 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -26.205 1.279 14.163 1.00 0.00 H new ATOM 1479 N LEU B 22 -27.082 -0.320 11.593 1.00 0.00 N ATOM 1480 CA LEU B 22 -27.419 -1.738 11.457 1.00 0.00 C ATOM 1481 C LEU B 22 -26.687 -2.408 10.297 1.00 0.00 C ATOM 1482 O LEU B 22 -26.265 -3.560 10.400 1.00 0.00 O ATOM 1483 CB LEU B 22 -28.925 -1.892 11.251 1.00 0.00 C ATOM 1484 CG LEU B 22 -29.806 -1.264 12.332 1.00 0.00 C ATOM 1485 CD1 LEU B 22 -31.273 -1.445 11.983 1.00 0.00 C ATOM 1486 CD2 LEU B 22 -29.500 -1.867 13.694 1.00 0.00 C ATOM 0 H LEU B 22 -27.887 0.304 11.534 1.00 0.00 H new ATOM 0 HA LEU B 22 -27.102 -2.230 12.377 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -29.189 -1.451 10.290 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -29.159 -2.955 11.189 1.00 0.00 H new ATOM 0 HG LEU B 22 -29.589 -0.197 12.379 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -31.890 -0.994 12.760 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -31.482 -0.963 11.028 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -31.501 -2.508 11.910 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -30.138 -1.406 14.448 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -29.688 -2.940 13.667 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -28.454 -1.688 13.945 1.00 0.00 H new ATOM 1498 N TRP B 23 -26.533 -1.685 9.198 1.00 0.00 N ATOM 1499 CA TRP B 23 -25.969 -2.259 7.982 1.00 0.00 C ATOM 1500 C TRP B 23 -24.443 -2.271 8.018 1.00 0.00 C ATOM 1501 O TRP B 23 -23.804 -2.919 7.192 1.00 0.00 O ATOM 1502 CB TRP B 23 -26.451 -1.478 6.756 1.00 0.00 C ATOM 1503 CG TRP B 23 -25.921 -0.080 6.698 1.00 0.00 C ATOM 1504 CD1 TRP B 23 -26.410 1.012 7.353 1.00 0.00 C ATOM 1505 CD2 TRP B 23 -24.790 0.374 5.946 1.00 0.00 C ATOM 1506 NE1 TRP B 23 -25.648 2.116 7.061 1.00 0.00 N ATOM 1507 CE2 TRP B 23 -24.648 1.750 6.197 1.00 0.00 C ATOM 1508 CE3 TRP B 23 -23.881 -0.253 5.089 1.00 0.00 C ATOM 1509 CZ2 TRP B 23 -23.632 2.509 5.622 1.00 0.00 C ATOM 1510 CZ3 TRP B 23 -22.876 0.501 4.516 1.00 0.00 C ATOM 1511 CH2 TRP B 23 -22.758 1.869 4.785 1.00 0.00 C ATOM 0 H TRP B 23 -26.790 -0.701 9.121 1.00 0.00 H new ATOM 0 HA TRP B 23 -26.313 -3.291 7.916 1.00 0.00 H new ATOM 0 HB2 TRP B 23 -26.151 -2.011 5.854 1.00 0.00 H new ATOM 0 HB3 TRP B 23 -27.541 -1.446 6.760 1.00 0.00 H new ATOM 0 HD1 TRP B 23 -27.270 1.009 8.006 1.00 0.00 H new ATOM 0 HE1 TRP B 23 -25.801 3.056 7.427 1.00 0.00 H new ATOM 0 HE3 TRP B 23 -23.963 -1.309 4.879 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 -23.537 3.565 5.829 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 -22.170 0.027 3.850 1.00 0.00 H new ATOM 0 HH2 TRP B 23 -21.961 2.432 4.323 1.00 0.00 H new ATOM 1522 N LYS B 24 -23.860 -1.577 8.989 1.00 0.00 N ATOM 1523 CA LYS B 24 -22.410 -1.425 9.054 1.00 0.00 C ATOM 1524 C LYS B 24 -21.745 -2.632 9.705 1.00 0.00 C ATOM 1525 O LYS B 24 -20.647 -2.535 10.253 1.00 0.00 O ATOM 1526 CB LYS B 24 -22.030 -0.144 9.791 1.00 0.00 C ATOM 1527 CG LYS B 24 -22.379 1.115 9.013 1.00 0.00 C ATOM 1528 CD LYS B 24 -21.793 2.364 9.647 1.00 0.00 C ATOM 1529 CE LYS B 24 -20.271 2.312 9.705 1.00 0.00 C ATOM 1530 NZ LYS B 24 -19.659 2.064 8.368 1.00 0.00 N1+ ATOM 0 H LYS B 24 -24.368 -1.111 9.741 1.00 0.00 H new ATOM 0 HA LYS B 24 -22.045 -1.358 8.029 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -22.538 -0.121 10.755 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -20.959 -0.153 9.996 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -22.011 1.022 7.991 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -23.463 1.214 8.954 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -22.105 3.240 9.078 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -22.191 2.480 10.655 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -19.893 3.253 10.106 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -19.963 1.525 10.394 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -18.655 2.334 8.390 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -19.741 1.055 8.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -20.154 2.630 7.649 1.00 0.00 H new ATOM 1544 N LEU B 25 -22.411 -3.770 9.623 1.00 0.00 N ATOM 1545 CA LEU B 25 -21.839 -5.030 10.072 1.00 0.00 C ATOM 1546 C LEU B 25 -21.057 -5.670 8.932 1.00 0.00 C ATOM 1547 O LEU B 25 -20.599 -6.808 9.026 1.00 0.00 O ATOM 1548 CB LEU B 25 -22.942 -5.977 10.559 1.00 0.00 C ATOM 1549 CG LEU B 25 -23.776 -5.450 11.726 1.00 0.00 C ATOM 1550 CD1 LEU B 25 -24.841 -6.462 12.112 1.00 0.00 C ATOM 1551 CD2 LEU B 25 -22.888 -5.123 12.919 1.00 0.00 C ATOM 0 H LEU B 25 -23.356 -3.849 9.247 1.00 0.00 H new ATOM 0 HA LEU B 25 -21.164 -4.836 10.905 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -23.609 -6.194 9.724 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -22.485 -6.921 10.856 1.00 0.00 H new ATOM 0 HG LEU B 25 -24.270 -4.531 11.410 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -25.427 -6.073 12.945 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -25.496 -6.644 11.260 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -24.365 -7.396 12.409 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -23.502 -4.749 13.738 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -22.364 -6.023 13.240 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -22.162 -4.362 12.634 1.00 0.00 H new ATOM 1563 N LEU B 26 -20.914 -4.919 7.848 1.00 0.00 N ATOM 1564 CA LEU B 26 -20.156 -5.367 6.694 1.00 0.00 C ATOM 1565 C LEU B 26 -18.664 -5.246 6.983 1.00 0.00 C ATOM 1566 O LEU B 26 -18.264 -4.501 7.882 1.00 0.00 O ATOM 1567 CB LEU B 26 -20.532 -4.526 5.468 1.00 0.00 C ATOM 1568 CG LEU B 26 -22.008 -4.585 5.060 1.00 0.00 C ATOM 1569 CD1 LEU B 26 -22.279 -3.638 3.900 1.00 0.00 C ATOM 1570 CD2 LEU B 26 -22.403 -6.008 4.690 1.00 0.00 C ATOM 0 H LEU B 26 -21.319 -3.988 7.747 1.00 0.00 H new ATOM 0 HA LEU B 26 -20.392 -6.411 6.488 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -20.268 -3.487 5.666 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -19.925 -4.853 4.624 1.00 0.00 H new ATOM 0 HG LEU B 26 -22.613 -4.270 5.910 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -23.332 -3.693 3.624 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -22.035 -2.618 4.198 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -21.664 -3.923 3.046 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -23.454 -6.031 4.403 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -21.791 -6.350 3.855 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -22.247 -6.663 5.547 1.00 0.00 H new ATOM 1582 N PRO B 27 -17.817 -5.988 6.254 1.00 0.00 N ATOM 1583 CA PRO B 27 -16.369 -5.885 6.415 1.00 0.00 C ATOM 1584 C PRO B 27 -15.852 -4.519 5.973 1.00 0.00 C ATOM 1585 O PRO B 27 -15.619 -4.278 4.788 1.00 0.00 O ATOM 1586 CB PRO B 27 -15.817 -6.997 5.516 1.00 0.00 C ATOM 1587 CG PRO B 27 -16.900 -7.271 4.527 1.00 0.00 C ATOM 1588 CD PRO B 27 -18.195 -6.984 5.234 1.00 0.00 C ATOM 0 HA PRO B 27 -16.061 -5.990 7.455 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -14.899 -6.683 5.019 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -15.577 -7.889 6.095 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -16.790 -6.641 3.645 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -16.863 -8.306 4.186 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -18.948 -6.592 4.550 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -18.613 -7.883 5.687 1.00 0.00 H new ATOM 1596 N GLU B 28 -15.697 -3.622 6.936 1.00 0.00 N ATOM 1597 CA GLU B 28 -15.223 -2.274 6.662 1.00 0.00 C ATOM 1598 C GLU B 28 -14.092 -1.912 7.612 1.00 0.00 C ATOM 1599 O GLU B 28 -13.869 -2.582 8.619 1.00 0.00 O ATOM 1600 CB GLU B 28 -16.342 -1.236 6.828 1.00 0.00 C ATOM 1601 CG GLU B 28 -17.640 -1.567 6.106 1.00 0.00 C ATOM 1602 CD GLU B 28 -18.737 -0.559 6.402 1.00 0.00 C ATOM 1603 OE1 GLU B 28 -19.139 -0.442 7.580 1.00 0.00 O ATOM 1604 OE2 GLU B 28 -19.198 0.121 5.463 1.00 0.00 O1- ATOM 0 H GLU B 28 -15.894 -3.806 7.920 1.00 0.00 H new ATOM 0 HA GLU B 28 -14.874 -2.260 5.629 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.555 -1.120 7.891 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.980 -0.273 6.469 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -17.458 -1.598 5.032 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -17.974 -2.562 6.401 1.00 0.00 H new ATOM 1811 N LEU B 43 -3.857 -2.892 -3.974 1.00 0.00 N ATOM 1812 CA LEU B 43 -4.470 -2.723 -2.659 1.00 0.00 C ATOM 1813 C LEU B 43 -3.547 -1.938 -1.721 1.00 0.00 C ATOM 1814 O LEU B 43 -3.938 -0.911 -1.165 1.00 0.00 O ATOM 1815 CB LEU B 43 -4.784 -4.104 -2.060 1.00 0.00 C ATOM 1816 CG LEU B 43 -6.039 -4.197 -1.181 1.00 0.00 C ATOM 1817 CD1 LEU B 43 -6.252 -5.632 -0.717 1.00 0.00 C ATOM 1818 CD2 LEU B 43 -5.944 -3.276 0.023 1.00 0.00 C ATOM 0 HA LEU B 43 -5.394 -2.156 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -4.887 -4.816 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -3.927 -4.422 -1.467 1.00 0.00 H new ATOM 0 HG LEU B 43 -6.890 -3.881 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -7.145 -5.684 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -6.376 -6.280 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -5.388 -5.960 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -6.849 -3.367 0.623 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -5.079 -3.553 0.626 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -5.835 -2.245 -0.315 1.00 0.00 H new ATOM 1830 N MET B 44 -2.322 -2.422 -1.562 1.00 0.00 N ATOM 1831 CA MET B 44 -1.385 -1.825 -0.618 1.00 0.00 C ATOM 1832 C MET B 44 -0.396 -0.906 -1.306 1.00 0.00 C ATOM 1833 O MET B 44 -0.460 0.315 -1.162 1.00 0.00 O ATOM 1834 CB MET B 44 -0.622 -2.911 0.136 1.00 0.00 C ATOM 1835 CG MET B 44 -1.295 -3.343 1.422 1.00 0.00 C ATOM 1836 SD MET B 44 -2.903 -4.112 1.156 1.00 0.00 S ATOM 1837 CE MET B 44 -2.430 -5.784 0.728 1.00 0.00 C ATOM 0 H MET B 44 -1.954 -3.224 -2.073 1.00 0.00 H new ATOM 0 HA MET B 44 -1.973 -1.232 0.083 1.00 0.00 H new ATOM 0 HB2 MET B 44 -0.506 -3.779 -0.513 1.00 0.00 H new ATOM 0 HB3 MET B 44 0.380 -2.548 0.364 1.00 0.00 H new ATOM 0 HG2 MET B 44 -0.646 -4.044 1.947 1.00 0.00 H new ATOM 0 HG3 MET B 44 -1.417 -2.475 2.070 1.00 0.00 H new ATOM 0 HE1 MET B 44 -3.123 -6.180 -0.014 1.00 0.00 H new ATOM 0 HE2 MET B 44 -1.420 -5.783 0.317 1.00 0.00 H new ATOM 0 HE3 MET B 44 -2.458 -6.410 1.620 1.00 0.00 H new ATOM 1847 N LEU B 45 0.519 -1.494 -2.051 1.00 0.00 N ATOM 1848 CA LEU B 45 1.553 -0.725 -2.706 1.00 0.00 C ATOM 1849 C LEU B 45 1.128 -0.395 -4.132 1.00 0.00 C ATOM 1850 O LEU B 45 1.214 -1.230 -5.030 1.00 0.00 O ATOM 1851 CB LEU B 45 2.900 -1.477 -2.662 1.00 0.00 C ATOM 1852 CG LEU B 45 3.447 -1.728 -1.245 1.00 0.00 C ATOM 1853 CD1 LEU B 45 4.867 -2.278 -1.272 1.00 0.00 C ATOM 1854 CD2 LEU B 45 3.408 -0.450 -0.433 1.00 0.00 C ATOM 0 H LEU B 45 0.566 -2.499 -2.216 1.00 0.00 H new ATOM 0 HA LEU B 45 1.695 0.216 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU B 45 2.783 -2.436 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU B 45 3.638 -0.907 -3.227 1.00 0.00 H new ATOM 0 HG LEU B 45 2.807 -2.477 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU B 45 5.214 -2.440 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU B 45 4.881 -3.223 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU B 45 5.524 -1.565 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.798 -0.642 0.567 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.019 0.310 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU B 45 2.379 -0.097 -0.360 1.00 0.00 H new ATOM 1866 N SER B 46 0.627 0.822 -4.312 1.00 0.00 N ATOM 1867 CA SER B 46 0.161 1.286 -5.612 1.00 0.00 C ATOM 1868 C SER B 46 1.358 1.646 -6.497 1.00 0.00 C ATOM 1869 O SER B 46 2.280 2.345 -6.059 1.00 0.00 O ATOM 1870 CB SER B 46 -0.775 2.489 -5.433 1.00 0.00 C ATOM 1871 OG SER B 46 -1.486 2.783 -6.627 1.00 0.00 O ATOM 0 H SER B 46 0.533 1.511 -3.565 1.00 0.00 H new ATOM 0 HA SER B 46 -0.398 0.489 -6.102 1.00 0.00 H new ATOM 0 HB2 SER B 46 -1.482 2.284 -4.629 1.00 0.00 H new ATOM 0 HB3 SER B 46 -0.194 3.361 -5.131 1.00 0.00 H new ATOM 0 HG SER B 46 -2.073 3.553 -6.477 1.00 0.00 H new ATOM 1877 N PRO B 47 1.336 1.189 -7.763 1.00 0.00 N ATOM 1878 CA PRO B 47 2.503 1.217 -8.661 1.00 0.00 C ATOM 1879 C PRO B 47 3.096 2.608 -8.876 1.00 0.00 C ATOM 1880 O PRO B 47 4.317 2.752 -8.976 1.00 0.00 O ATOM 1881 CB PRO B 47 1.956 0.672 -9.985 1.00 0.00 C ATOM 1882 CG PRO B 47 0.711 -0.067 -9.630 1.00 0.00 C ATOM 1883 CD PRO B 47 0.150 0.617 -8.423 1.00 0.00 C ATOM 0 HA PRO B 47 3.323 0.639 -8.235 1.00 0.00 H new ATOM 0 HB2 PRO B 47 1.746 1.481 -10.685 1.00 0.00 H new ATOM 0 HB3 PRO B 47 2.679 0.014 -10.467 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -0.002 -0.048 -10.455 1.00 0.00 H new ATOM 0 HG3 PRO B 47 0.927 -1.114 -9.419 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -0.567 1.390 -8.698 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -0.372 -0.084 -7.772 1.00 0.00 H new ATOM 1891 N ASP B 48 2.237 3.622 -8.929 1.00 0.00 N ATOM 1892 CA ASP B 48 2.654 4.988 -9.257 1.00 0.00 C ATOM 1893 C ASP B 48 3.850 5.436 -8.425 1.00 0.00 C ATOM 1894 O ASP B 48 4.839 5.938 -8.959 1.00 0.00 O ATOM 1895 CB ASP B 48 1.499 5.972 -9.050 1.00 0.00 C ATOM 1896 CG ASP B 48 0.328 5.721 -9.978 1.00 0.00 C ATOM 1897 OD1 ASP B 48 -0.544 4.901 -9.631 1.00 0.00 O ATOM 1898 OD2 ASP B 48 0.265 6.353 -11.054 1.00 0.00 O1- ATOM 0 H ASP B 48 1.238 3.525 -8.748 1.00 0.00 H new ATOM 0 HA ASP B 48 2.949 4.983 -10.306 1.00 0.00 H new ATOM 0 HB2 ASP B 48 1.156 5.908 -8.017 1.00 0.00 H new ATOM 0 HB3 ASP B 48 1.864 6.988 -9.202 1.00 0.00 H new ATOM 1903 N ASP B 49 3.760 5.244 -7.117 1.00 0.00 N ATOM 1904 CA ASP B 49 4.806 5.709 -6.206 1.00 0.00 C ATOM 1905 C ASP B 49 5.836 4.620 -5.934 1.00 0.00 C ATOM 1906 O ASP B 49 7.041 4.878 -5.907 1.00 0.00 O ATOM 1907 CB ASP B 49 4.204 6.165 -4.868 1.00 0.00 C ATOM 1908 CG ASP B 49 3.191 7.284 -5.006 1.00 0.00 C ATOM 1909 OD1 ASP B 49 3.573 8.403 -5.401 1.00 0.00 O1- ATOM 1910 OD2 ASP B 49 1.997 7.045 -4.711 1.00 0.00 O ATOM 0 H ASP B 49 2.979 4.772 -6.661 1.00 0.00 H new ATOM 0 HA ASP B 49 5.298 6.550 -6.694 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.727 5.312 -4.385 1.00 0.00 H new ATOM 0 HB3 ASP B 49 5.009 6.494 -4.211 1.00 0.00 H new ATOM 1915 N ILE B 50 5.356 3.395 -5.757 1.00 0.00 N ATOM 1916 CA ILE B 50 6.183 2.320 -5.216 1.00 0.00 C ATOM 1917 C ILE B 50 7.308 1.894 -6.138 1.00 0.00 C ATOM 1918 O ILE B 50 8.364 1.496 -5.657 1.00 0.00 O ATOM 1919 CB ILE B 50 5.360 1.063 -4.898 1.00 0.00 C ATOM 1920 CG1 ILE B 50 4.745 0.485 -6.177 1.00 0.00 C ATOM 1921 CG2 ILE B 50 4.291 1.392 -3.880 1.00 0.00 C ATOM 1922 CD1 ILE B 50 4.135 -0.887 -6.007 1.00 0.00 C ATOM 0 H ILE B 50 4.399 3.120 -5.980 1.00 0.00 H new ATOM 0 HA ILE B 50 6.607 2.748 -4.307 1.00 0.00 H new ATOM 0 HB ILE B 50 6.018 0.305 -4.474 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.977 1.169 -6.539 1.00 0.00 H new ATOM 0 HG13 ILE B 50 5.515 0.435 -6.946 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.711 0.496 -3.659 1.00 0.00 H new ATOM 0 HG22 ILE B 50 4.759 1.756 -2.965 1.00 0.00 H new ATOM 0 HG23 ILE B 50 3.631 2.162 -4.281 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.723 -1.222 -6.959 1.00 0.00 H new ATOM 0 HD12 ILE B 50 4.902 -1.588 -5.677 1.00 0.00 H new ATOM 0 HD13 ILE B 50 3.340 -0.842 -5.263 1.00 0.00 H new ATOM 1934 N GLU B 51 7.093 1.971 -7.447 1.00 0.00 N ATOM 1935 CA GLU B 51 7.999 1.343 -8.400 1.00 0.00 C ATOM 1936 C GLU B 51 9.436 1.845 -8.280 1.00 0.00 C ATOM 1937 O GLU B 51 10.361 1.192 -8.760 1.00 0.00 O ATOM 1938 CB GLU B 51 7.498 1.528 -9.828 1.00 0.00 C ATOM 1939 CG GLU B 51 6.396 0.557 -10.217 1.00 0.00 C ATOM 1940 CD GLU B 51 6.061 0.627 -11.691 1.00 0.00 C ATOM 1941 OE1 GLU B 51 6.930 0.269 -12.516 1.00 0.00 O ATOM 1942 OE2 GLU B 51 4.931 1.037 -12.027 1.00 0.00 O1- ATOM 0 H GLU B 51 6.304 2.459 -7.870 1.00 0.00 H new ATOM 0 HA GLU B 51 8.010 0.281 -8.154 1.00 0.00 H new ATOM 0 HB2 GLU B 51 7.131 2.547 -9.946 1.00 0.00 H new ATOM 0 HB3 GLU B 51 8.335 1.409 -10.516 1.00 0.00 H new ATOM 0 HG2 GLU B 51 6.704 -0.458 -9.965 1.00 0.00 H new ATOM 0 HG3 GLU B 51 5.502 0.774 -9.633 1.00 0.00 H new ATOM 1949 N GLN B 52 9.617 2.991 -7.637 1.00 0.00 N ATOM 1950 CA GLN B 52 10.952 3.528 -7.393 1.00 0.00 C ATOM 1951 C GLN B 52 11.758 2.601 -6.484 1.00 0.00 C ATOM 1952 O GLN B 52 12.964 2.432 -6.664 1.00 0.00 O ATOM 1953 CB GLN B 52 10.861 4.903 -6.736 1.00 0.00 C ATOM 1954 CG GLN B 52 10.117 5.938 -7.556 1.00 0.00 C ATOM 1955 CD GLN B 52 10.031 7.269 -6.843 1.00 0.00 C ATOM 1956 OE1 GLN B 52 10.914 8.118 -6.976 1.00 0.00 O ATOM 1957 NE2 GLN B 52 8.970 7.453 -6.076 1.00 0.00 N ATOM 0 H GLN B 52 8.858 3.567 -7.275 1.00 0.00 H new ATOM 0 HA GLN B 52 11.454 3.611 -8.357 1.00 0.00 H new ATOM 0 HB2 GLN B 52 10.368 4.799 -5.770 1.00 0.00 H new ATOM 0 HB3 GLN B 52 11.870 5.267 -6.541 1.00 0.00 H new ATOM 0 HG2 GLN B 52 10.620 6.071 -8.514 1.00 0.00 H new ATOM 0 HG3 GLN B 52 9.112 5.576 -7.771 1.00 0.00 H new ATOM 0 HE21 GLN B 52 8.265 6.721 -5.997 1.00 0.00 H new ATOM 0 HE22 GLN B 52 8.857 8.327 -5.563 1.00 0.00 H new ATOM 1966 N TRP B 53 11.086 2.007 -5.503 1.00 0.00 N ATOM 1967 CA TRP B 53 11.762 1.202 -4.490 1.00 0.00 C ATOM 1968 C TRP B 53 11.227 -0.225 -4.415 1.00 0.00 C ATOM 1969 O TRP B 53 11.964 -1.143 -4.053 1.00 0.00 O ATOM 1970 CB TRP B 53 11.669 1.870 -3.115 1.00 0.00 C ATOM 1971 CG TRP B 53 10.387 2.603 -2.881 1.00 0.00 C ATOM 1972 CD1 TRP B 53 10.118 3.894 -3.225 1.00 0.00 C ATOM 1973 CD2 TRP B 53 9.210 2.106 -2.236 1.00 0.00 C ATOM 1974 NE1 TRP B 53 8.844 4.225 -2.852 1.00 0.00 N ATOM 1975 CE2 TRP B 53 8.264 3.148 -2.239 1.00 0.00 C ATOM 1976 CE3 TRP B 53 8.863 0.881 -1.664 1.00 0.00 C ATOM 1977 CZ2 TRP B 53 6.995 3.001 -1.690 1.00 0.00 C ATOM 1978 CZ3 TRP B 53 7.603 0.737 -1.118 1.00 0.00 C ATOM 1979 CH2 TRP B 53 6.682 1.791 -1.135 1.00 0.00 C ATOM 0 H TRP B 53 10.074 2.067 -5.387 1.00 0.00 H new ATOM 0 HA TRP B 53 12.807 1.139 -4.793 1.00 0.00 H new ATOM 0 HB2 TRP B 53 11.786 1.109 -2.344 1.00 0.00 H new ATOM 0 HB3 TRP B 53 12.500 2.567 -3.004 1.00 0.00 H new ATOM 0 HD1 TRP B 53 10.810 4.559 -3.720 1.00 0.00 H new ATOM 0 HE1 TRP B 53 8.398 5.129 -3.006 1.00 0.00 H new ATOM 0 HE3 TRP B 53 9.566 0.062 -1.649 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 6.283 3.813 -1.701 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 7.323 -0.205 -0.670 1.00 0.00 H new ATOM 0 HH2 TRP B 53 5.704 1.646 -0.701 1.00 0.00 H new ATOM 1990 N PHE B 54 9.952 -0.415 -4.751 1.00 0.00 N ATOM 1991 CA PHE B 54 9.323 -1.734 -4.678 1.00 0.00 C ATOM 1992 C PHE B 54 10.134 -2.749 -5.483 1.00 0.00 C ATOM 1993 O PHE B 54 10.367 -3.866 -5.021 1.00 0.00 O ATOM 1994 CB PHE B 54 7.866 -1.665 -5.175 1.00 0.00 C ATOM 1995 CG PHE B 54 7.093 -2.970 -5.112 1.00 0.00 C ATOM 1996 CD1 PHE B 54 7.407 -4.019 -5.965 1.00 0.00 C ATOM 1997 CD2 PHE B 54 6.042 -3.143 -4.212 1.00 0.00 C ATOM 1998 CE1 PHE B 54 6.701 -5.206 -5.924 1.00 0.00 C ATOM 1999 CE2 PHE B 54 5.331 -4.334 -4.174 1.00 0.00 C ATOM 2000 CZ PHE B 54 5.663 -5.362 -5.029 1.00 0.00 C ATOM 0 H PHE B 54 9.334 0.328 -5.077 1.00 0.00 H new ATOM 0 HA PHE B 54 9.306 -2.060 -3.638 1.00 0.00 H new ATOM 0 HB2 PHE B 54 7.334 -0.919 -4.585 1.00 0.00 H new ATOM 0 HB3 PHE B 54 7.868 -1.313 -6.207 1.00 0.00 H new ATOM 0 HD1 PHE B 54 8.216 -3.906 -6.672 1.00 0.00 H new ATOM 0 HD2 PHE B 54 5.779 -2.342 -3.538 1.00 0.00 H new ATOM 0 HE1 PHE B 54 6.962 -6.012 -6.593 1.00 0.00 H new ATOM 0 HE2 PHE B 54 4.517 -4.455 -3.474 1.00 0.00 H new ATOM 0 HZ PHE B 54 5.111 -6.290 -4.999 1.00 0.00 H new