USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 679 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 35 LYS NZ :NH3+ -146:sc= 0.195 (180deg=-2.71!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -157:sc= 0.351 (180deg=0.233) USER MOD Single : A 13 MET CE :methyl -136:sc= -0.773 (180deg=-3.54!) USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= -0.798 (180deg=-0.875) USER MOD Single : A 23 SER OG : rot 180:sc= -0.127 USER MOD Single : A 27 ASN : amide:sc= -3.3 K(o=-3.3,f=-4.1!) USER MOD Single : A 31 HIS : no HD1:sc=-0.00767 K(o=-0.0077,f=-0.64) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 106:sc= -0.0839 USER MOD Single : A 50 SER OG : rot 180:sc= -0.164 USER MOD Single : A 52 SER OG : rot -31:sc= 0.949 USER MOD Single : A 56 HIS : no HD1:sc= -0.183 K(o=-0.18,f=-0.97) USER MOD Single : A 59 THR OG1 : rot 38:sc= 0.222 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0153 USER MOD Single : A 69 TYR OH : rot -84:sc= -1.19 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0522 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -137:sc= 0.771 USER MOD Single : A 110 MET CE :methyl -129:sc= -1.79 (180deg=-9.23!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 11 14.474 10.858 -0.947 1.00 53.44 N ATOM 124 CA PRO A 11 15.680 10.932 -1.778 1.00 54.45 C ATOM 125 C PRO A 11 16.811 10.065 -1.236 1.00 45.03 C ATOM 126 O PRO A 11 17.592 9.495 -2.000 1.00 23.34 O ATOM 127 CB PRO A 11 16.064 12.412 -1.715 1.00 72.55 C ATOM 128 CG PRO A 11 15.485 12.900 -0.432 1.00 3.34 C ATOM 129 CD PRO A 11 14.218 12.115 -0.225 1.00 61.21 C ATOM 0 HA PRO A 11 15.501 10.567 -2.789 1.00 54.45 H new ATOM 0 HB2 PRO A 11 17.146 12.541 -1.735 1.00 72.55 H new ATOM 0 HB3 PRO A 11 15.661 12.962 -2.566 1.00 72.55 H new ATOM 0 HG2 PRO A 11 16.180 12.745 0.394 1.00 3.34 H new ATOM 0 HG3 PRO A 11 15.279 13.969 -0.479 1.00 3.34 H new ATOM 0 HD2 PRO A 11 14.023 11.938 0.833 1.00 61.21 H new ATOM 0 HD3 PRO A 11 13.350 12.639 -0.626 1.00 61.21 H new ATOM 137 N LEU A 12 16.894 9.968 0.086 1.00 63.12 N ATOM 138 CA LEU A 12 17.930 9.169 0.731 1.00 52.33 C ATOM 139 C LEU A 12 17.407 8.532 2.015 1.00 2.43 C ATOM 140 O LEU A 12 17.117 9.225 2.990 1.00 13.02 O ATOM 141 CB LEU A 12 19.152 10.036 1.040 1.00 40.22 C ATOM 142 CG LEU A 12 20.370 9.303 1.605 1.00 11.33 C ATOM 143 CD1 LEU A 12 20.196 9.048 3.093 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.598 7.996 0.859 1.00 15.23 C ATOM 0 H LEU A 12 16.256 10.433 0.732 1.00 63.12 H new ATOM 0 HA LEU A 12 18.220 8.373 0.045 1.00 52.33 H new ATOM 0 HB2 LEU A 12 19.452 10.545 0.124 1.00 40.22 H new ATOM 0 HB3 LEU A 12 18.855 10.807 1.751 1.00 40.22 H new ATOM 0 HG LEU A 12 21.248 9.934 1.467 1.00 11.33 H new ATOM 0 HD11 LEU A 12 21.072 8.526 3.478 1.00 73.42 H new ATOM 0 HD12 LEU A 12 20.082 9.999 3.614 1.00 73.42 H new ATOM 0 HD13 LEU A 12 19.309 8.437 3.256 1.00 73.42 H new ATOM 0 HD21 LEU A 12 21.468 7.487 1.274 1.00 15.23 H new ATOM 0 HD22 LEU A 12 19.720 7.358 0.965 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.769 8.205 -0.197 1.00 15.23 H new ATOM 156 N MET A 13 17.292 7.208 2.008 1.00 61.20 N ATOM 157 CA MET A 13 16.806 6.477 3.173 1.00 22.34 C ATOM 158 C MET A 13 17.632 5.215 3.406 1.00 2.51 C ATOM 159 O MET A 13 18.138 4.610 2.461 1.00 53.15 O ATOM 160 CB MET A 13 15.332 6.111 2.994 1.00 74.34 C ATOM 161 CG MET A 13 15.070 5.208 1.799 1.00 62.10 C ATOM 162 SD MET A 13 13.683 4.088 2.065 1.00 31.34 S ATOM 163 CE MET A 13 14.319 3.072 3.396 1.00 60.31 C ATOM 0 H MET A 13 17.529 6.620 1.209 1.00 61.20 H new ATOM 0 HA MET A 13 16.908 7.123 4.045 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.977 5.616 3.898 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.750 7.026 2.882 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.872 5.823 0.921 1.00 62.10 H new ATOM 0 HG3 MET A 13 15.966 4.626 1.585 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.093 2.025 3.194 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.399 3.203 3.470 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.853 3.369 4.335 1.00 60.31 H new ATOM 173 N VAL A 14 17.764 4.825 4.669 1.00 21.22 N ATOM 174 CA VAL A 14 18.526 3.635 5.026 1.00 2.34 C ATOM 175 C VAL A 14 17.604 2.455 5.312 1.00 34.21 C ATOM 176 O VAL A 14 16.639 2.576 6.067 1.00 35.53 O ATOM 177 CB VAL A 14 19.417 3.886 6.258 1.00 44.00 C ATOM 178 CG1 VAL A 14 20.133 2.610 6.669 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.415 4.999 5.975 1.00 44.55 C ATOM 0 H VAL A 14 17.353 5.316 5.463 1.00 21.22 H new ATOM 0 HA VAL A 14 19.159 3.398 4.171 1.00 2.34 H new ATOM 0 HB VAL A 14 18.781 4.200 7.086 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.757 2.808 7.540 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.398 1.844 6.915 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.758 2.262 5.846 1.00 51.25 H new ATOM 0 HG21 VAL A 14 21.036 5.163 6.855 1.00 44.55 H new ATOM 0 HG22 VAL A 14 21.047 4.716 5.133 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.878 5.916 5.734 1.00 44.55 H new ATOM 189 N LYS A 15 17.907 1.314 4.704 1.00 20.03 N ATOM 190 CA LYS A 15 17.106 0.109 4.894 1.00 34.30 C ATOM 191 C LYS A 15 17.970 -1.045 5.391 1.00 62.02 C ATOM 192 O LYS A 15 18.787 -1.587 4.648 1.00 61.44 O ATOM 193 CB LYS A 15 16.419 -0.282 3.583 1.00 53.00 C ATOM 194 CG LYS A 15 15.740 -1.640 3.635 1.00 15.14 C ATOM 195 CD LYS A 15 14.588 -1.652 4.626 1.00 41.01 C ATOM 196 CE LYS A 15 14.977 -2.343 5.924 1.00 63.11 C ATOM 197 NZ LYS A 15 13.862 -3.167 6.468 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.701 1.197 4.075 1.00 20.03 H new ATOM 0 HA LYS A 15 16.347 0.321 5.647 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.678 0.476 3.330 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.158 -0.285 2.782 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.370 -1.901 2.643 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.469 -2.401 3.914 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.277 -0.629 4.836 1.00 41.01 H new ATOM 0 HD3 LYS A 15 13.732 -2.161 4.184 1.00 41.01 H new ATOM 0 HE2 LYS A 15 15.847 -2.977 5.752 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.269 -1.595 6.661 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.122 -3.525 7.409 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.005 -2.584 6.545 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 13.680 -3.968 5.831 1.00 53.54 H new ATOM 211 N VAL A 16 17.782 -1.417 6.653 1.00 25.51 N ATOM 212 CA VAL A 16 18.542 -2.510 7.249 1.00 72.30 C ATOM 213 C VAL A 16 17.617 -3.622 7.734 1.00 42.30 C ATOM 214 O VAL A 16 16.746 -3.397 8.574 1.00 53.32 O ATOM 215 CB VAL A 16 19.398 -2.019 8.430 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.185 -3.171 9.036 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.331 -0.903 7.983 1.00 21.20 C ATOM 0 H VAL A 16 17.110 -0.978 7.283 1.00 25.51 H new ATOM 0 HA VAL A 16 19.198 -2.900 6.471 1.00 72.30 H new ATOM 0 HB VAL A 16 18.733 -1.622 9.197 1.00 4.53 H new ATOM 0 HG11 VAL A 16 20.784 -2.804 9.869 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.495 -3.935 9.394 1.00 11.20 H new ATOM 0 HG13 VAL A 16 20.841 -3.601 8.279 1.00 11.20 H new ATOM 0 HG21 VAL A 16 20.929 -0.567 8.830 1.00 21.20 H new ATOM 0 HG22 VAL A 16 20.990 -1.273 7.197 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.743 -0.069 7.601 1.00 21.20 H new ATOM 227 N LEU A 17 17.815 -4.822 7.199 1.00 45.53 N ATOM 228 CA LEU A 17 17.000 -5.972 7.578 1.00 34.25 C ATOM 229 C LEU A 17 17.858 -7.223 7.726 1.00 35.30 C ATOM 230 O LEU A 17 18.905 -7.349 7.090 1.00 14.24 O ATOM 231 CB LEU A 17 15.905 -6.210 6.537 1.00 4.15 C ATOM 232 CG LEU A 17 16.292 -7.086 5.345 1.00 21.13 C ATOM 233 CD1 LEU A 17 15.828 -8.519 5.563 1.00 54.51 C ATOM 234 CD2 LEU A 17 15.707 -6.524 4.057 1.00 44.01 C ATOM 0 H LEU A 17 18.532 -5.024 6.502 1.00 45.53 H new ATOM 0 HA LEU A 17 16.537 -5.757 8.541 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.050 -6.667 7.036 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.574 -5.243 6.159 1.00 4.15 H new ATOM 0 HG LEU A 17 17.378 -7.087 5.257 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.112 -9.128 4.705 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.295 -8.920 6.463 1.00 54.51 H new ATOM 0 HD13 LEU A 17 14.744 -8.537 5.678 1.00 54.51 H new ATOM 0 HD21 LEU A 17 15.993 -7.160 3.219 1.00 44.01 H new ATOM 0 HD22 LEU A 17 14.620 -6.492 4.134 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.088 -5.516 3.894 1.00 44.01 H new ATOM 246 N ASP A 18 17.408 -8.148 8.567 1.00 35.22 N ATOM 247 CA ASP A 18 18.133 -9.391 8.796 1.00 62.01 C ATOM 248 C ASP A 18 17.848 -10.399 7.686 1.00 31.11 C ATOM 249 O ASP A 18 16.694 -10.639 7.333 1.00 73.51 O ATOM 250 CB ASP A 18 17.750 -9.987 10.151 1.00 12.00 C ATOM 251 CG ASP A 18 16.254 -9.958 10.396 1.00 12.43 C ATOM 252 OD1 ASP A 18 15.542 -10.801 9.812 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 15.796 -9.093 11.172 1.00 41.53 O ATOM 0 H ASP A 18 16.544 -8.060 9.101 1.00 35.22 H new ATOM 0 HA ASP A 18 19.200 -9.166 8.794 1.00 62.01 H new ATOM 0 HB2 ASP A 18 18.104 -11.017 10.204 1.00 12.00 H new ATOM 0 HB3 ASP A 18 18.255 -9.435 10.943 1.00 12.00 H new ATOM 258 N ALA A 19 18.908 -10.984 7.139 1.00 34.14 N ATOM 259 CA ALA A 19 18.772 -11.965 6.069 1.00 74.24 C ATOM 260 C ALA A 19 18.462 -13.349 6.630 1.00 42.11 C ATOM 261 O ALA A 19 18.226 -14.295 5.880 1.00 25.21 O ATOM 262 CB ALA A 19 20.039 -12.007 5.228 1.00 45.22 C ATOM 0 H ALA A 19 19.871 -10.796 7.419 1.00 34.14 H new ATOM 0 HA ALA A 19 17.938 -11.663 5.436 1.00 74.24 H new ATOM 0 HB1 ALA A 19 19.924 -12.744 4.433 1.00 45.22 H new ATOM 0 HB2 ALA A 19 20.218 -11.025 4.790 1.00 45.22 H new ATOM 0 HB3 ALA A 19 20.885 -12.283 5.858 1.00 45.22 H new ATOM 268 N VAL A 20 18.463 -13.459 7.955 1.00 34.04 N ATOM 269 CA VAL A 20 18.181 -14.727 8.616 1.00 21.35 C ATOM 270 C VAL A 20 16.680 -14.942 8.775 1.00 44.04 C ATOM 271 O VAL A 20 16.175 -16.044 8.562 1.00 43.12 O ATOM 272 CB VAL A 20 18.848 -14.798 10.003 1.00 5.35 C ATOM 273 CG1 VAL A 20 18.659 -16.176 10.617 1.00 34.41 C ATOM 274 CG2 VAL A 20 20.325 -14.447 9.902 1.00 3.13 C ATOM 0 H VAL A 20 18.656 -12.685 8.591 1.00 34.04 H new ATOM 0 HA VAL A 20 18.593 -15.512 7.982 1.00 21.35 H new ATOM 0 HB VAL A 20 18.369 -14.068 10.655 1.00 5.35 H new ATOM 0 HG11 VAL A 20 19.137 -16.207 11.596 1.00 34.41 H new ATOM 0 HG12 VAL A 20 17.594 -16.383 10.726 1.00 34.41 H new ATOM 0 HG13 VAL A 20 19.110 -16.928 9.969 1.00 34.41 H new ATOM 0 HG21 VAL A 20 20.781 -14.502 10.891 1.00 3.13 H new ATOM 0 HG22 VAL A 20 20.821 -15.151 9.234 1.00 3.13 H new ATOM 0 HG23 VAL A 20 20.433 -13.436 9.509 1.00 3.13 H new ATOM 284 N ARG A 21 15.972 -13.882 9.149 1.00 13.31 N ATOM 285 CA ARG A 21 14.529 -13.953 9.337 1.00 41.52 C ATOM 286 C ARG A 21 13.798 -13.174 8.247 1.00 40.44 C ATOM 287 O ARG A 21 12.683 -13.524 7.861 1.00 1.41 O ATOM 288 CB ARG A 21 14.143 -13.407 10.714 1.00 42.31 C ATOM 289 CG ARG A 21 15.124 -13.780 11.813 1.00 55.31 C ATOM 290 CD ARG A 21 16.086 -12.641 12.111 1.00 11.13 C ATOM 291 NE ARG A 21 16.979 -12.954 13.223 1.00 51.30 N ATOM 292 CZ ARG A 21 17.791 -12.067 13.788 1.00 13.52 C ATOM 293 NH1 ARG A 21 17.820 -10.817 13.346 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 18.573 -12.429 14.796 1.00 1.52 N ATOM 0 H ARG A 21 16.375 -12.962 9.328 1.00 13.31 H new ATOM 0 HA ARG A 21 14.233 -15.000 9.273 1.00 41.52 H new ATOM 0 HB2 ARG A 21 14.069 -12.321 10.657 1.00 42.31 H new ATOM 0 HB3 ARG A 21 13.154 -13.780 10.979 1.00 42.31 H new ATOM 0 HG2 ARG A 21 14.576 -14.041 12.718 1.00 55.31 H new ATOM 0 HG3 ARG A 21 15.687 -14.665 11.515 1.00 55.31 H new ATOM 0 HD2 ARG A 21 16.677 -12.424 11.221 1.00 11.13 H new ATOM 0 HD3 ARG A 21 15.519 -11.740 12.344 1.00 11.13 H new ATOM 0 HE ARG A 21 16.979 -13.907 13.586 1.00 51.30 H new ATOM 0 HH11 ARG A 21 17.219 -10.536 12.572 1.00 72.23 H new ATOM 0 HH12 ARG A 21 18.444 -10.137 13.780 1.00 72.23 H new ATOM 0 HH21 ARG A 21 18.552 -13.390 15.139 1.00 1.52 H new ATOM 0 HH22 ARG A 21 19.196 -11.747 15.229 1.00 1.52 H new ATOM 308 N GLY A 22 14.436 -12.117 7.754 1.00 74.32 N ATOM 309 CA GLY A 22 13.833 -11.305 6.714 1.00 71.21 C ATOM 310 C GLY A 22 13.082 -10.112 7.272 1.00 53.11 C ATOM 311 O GLY A 22 12.276 -9.496 6.574 1.00 34.42 O ATOM 0 H GLY A 22 15.360 -11.809 8.057 1.00 74.32 H new ATOM 0 HA2 GLY A 22 14.610 -10.956 6.034 1.00 71.21 H new ATOM 0 HA3 GLY A 22 13.149 -11.919 6.128 1.00 71.21 H new ATOM 315 N SER A 23 13.345 -9.786 8.533 1.00 51.51 N ATOM 316 CA SER A 23 12.684 -8.662 9.187 1.00 3.34 C ATOM 317 C SER A 23 13.643 -7.487 9.346 1.00 32.43 C ATOM 318 O SER A 23 14.862 -7.631 9.261 1.00 43.34 O ATOM 319 CB SER A 23 12.145 -9.086 10.555 1.00 71.44 C ATOM 320 OG SER A 23 12.556 -10.402 10.880 1.00 35.11 O ATOM 0 H SER A 23 14.011 -10.284 9.123 1.00 51.51 H new ATOM 0 HA SER A 23 11.851 -8.346 8.559 1.00 3.34 H new ATOM 0 HB2 SER A 23 12.497 -8.393 11.319 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.056 -9.032 10.553 1.00 71.44 H new ATOM 0 HG SER A 23 12.200 -10.648 11.759 1.00 35.11 H new ATOM 326 N PRO A 24 13.079 -6.294 9.585 1.00 34.11 N ATOM 327 CA PRO A 24 13.865 -5.068 9.762 1.00 75.01 C ATOM 328 C PRO A 24 14.650 -5.068 11.069 1.00 32.44 C ATOM 329 O PRO A 24 14.203 -5.620 12.073 1.00 65.23 O ATOM 330 CB PRO A 24 12.804 -3.965 9.776 1.00 55.43 C ATOM 331 CG PRO A 24 11.558 -4.644 10.233 1.00 2.33 C ATOM 332 CD PRO A 24 11.632 -6.047 9.699 1.00 25.13 C ATOM 0 HA PRO A 24 14.614 -4.947 8.980 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.084 -3.155 10.450 1.00 55.43 H new ATOM 0 HB3 PRO A 24 12.676 -3.526 8.786 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.490 -4.644 11.321 1.00 2.33 H new ATOM 0 HG3 PRO A 24 10.673 -4.130 9.858 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.155 -6.759 10.373 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.132 -6.137 8.735 1.00 25.13 H new ATOM 340 N ALA A 25 15.823 -4.444 11.048 1.00 41.01 N ATOM 341 CA ALA A 25 16.670 -4.370 12.233 1.00 63.44 C ATOM 342 C ALA A 25 16.405 -3.090 13.019 1.00 30.11 C ATOM 343 O ALA A 25 16.277 -2.011 12.439 1.00 75.14 O ATOM 344 CB ALA A 25 18.137 -4.455 11.839 1.00 64.11 C ATOM 0 H ALA A 25 16.209 -3.983 10.224 1.00 41.01 H new ATOM 0 HA ALA A 25 16.428 -5.216 12.876 1.00 63.44 H new ATOM 0 HB1 ALA A 25 18.758 -4.398 12.733 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.322 -5.400 11.328 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.383 -3.628 11.173 1.00 64.11 H new ATOM 350 N ILE A 26 16.322 -3.218 14.338 1.00 43.00 N ATOM 351 CA ILE A 26 16.072 -2.071 15.203 1.00 13.15 C ATOM 352 C ILE A 26 17.341 -1.649 15.937 1.00 11.44 C ATOM 353 O ILE A 26 18.106 -2.489 16.406 1.00 75.40 O ATOM 354 CB ILE A 26 14.971 -2.374 16.235 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.600 -1.982 15.680 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.250 -1.640 17.538 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.250 -0.527 15.905 1.00 11.12 C ATOM 0 H ILE A 26 16.424 -4.105 14.832 1.00 43.00 H new ATOM 0 HA ILE A 26 15.740 -1.256 14.559 1.00 13.15 H new ATOM 0 HB ILE A 26 14.968 -3.445 16.437 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.576 -2.192 14.611 1.00 52.34 H new ATOM 0 HG13 ILE A 26 12.837 -2.607 16.144 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.463 -1.864 18.258 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.211 -1.963 17.939 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.277 -0.566 17.352 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.265 -0.321 15.486 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.241 -0.316 16.974 1.00 11.12 H new ATOM 0 HD13 ILE A 26 13.992 0.105 15.417 1.00 11.12 H new ATOM 369 N ASN A 27 17.555 -0.341 16.033 1.00 72.15 N ATOM 370 CA ASN A 27 18.730 0.193 16.712 1.00 74.24 C ATOM 371 C ASN A 27 20.009 -0.229 15.997 1.00 65.44 C ATOM 372 O ASN A 27 20.865 -0.899 16.576 1.00 74.45 O ATOM 373 CB ASN A 27 18.764 -0.281 18.167 1.00 42.11 C ATOM 374 CG ASN A 27 17.461 -0.013 18.893 1.00 53.35 C ATOM 375 OD1 ASN A 27 17.001 -0.832 19.688 1.00 33.42 O ATOM 376 ND2 ASN A 27 16.858 1.139 18.622 1.00 65.05 N ATOM 0 H ASN A 27 16.931 0.368 15.649 1.00 72.15 H new ATOM 0 HA ASN A 27 18.667 1.281 16.694 1.00 74.24 H new ATOM 0 HB2 ASN A 27 18.978 -1.349 18.193 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.578 0.220 18.691 1.00 42.11 H new ATOM 0 HD21 ASN A 27 15.978 1.374 19.080 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.275 1.789 17.956 1.00 65.05 H new ATOM 383 N VAL A 28 20.135 0.170 14.736 1.00 63.23 N ATOM 384 CA VAL A 28 21.312 -0.165 13.941 1.00 64.00 C ATOM 385 C VAL A 28 22.105 1.086 13.580 1.00 62.33 C ATOM 386 O VAL A 28 21.655 1.909 12.782 1.00 75.42 O ATOM 387 CB VAL A 28 20.923 -0.905 12.648 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.160 -1.227 11.824 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.144 -2.171 12.972 1.00 70.12 C ATOM 0 H VAL A 28 19.437 0.726 14.242 1.00 63.23 H new ATOM 0 HA VAL A 28 21.932 -0.820 14.553 1.00 64.00 H new ATOM 0 HB VAL A 28 20.281 -0.252 12.056 1.00 51.21 H new ATOM 0 HG11 VAL A 28 21.865 -1.750 10.914 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.673 -0.302 11.561 1.00 23.21 H new ATOM 0 HG13 VAL A 28 22.830 -1.860 12.406 1.00 23.21 H new ATOM 0 HG21 VAL A 28 19.877 -2.681 12.046 1.00 70.12 H new ATOM 0 HG22 VAL A 28 20.759 -2.830 13.585 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.237 -1.910 13.517 1.00 70.12 H new ATOM 399 N ALA A 29 23.287 1.222 14.171 1.00 51.31 N ATOM 400 CA ALA A 29 24.144 2.371 13.909 1.00 14.44 C ATOM 401 C ALA A 29 24.434 2.512 12.419 1.00 34.01 C ATOM 402 O ALA A 29 24.883 1.566 11.771 1.00 1.50 O ATOM 403 CB ALA A 29 25.443 2.250 14.692 1.00 51.41 C ATOM 0 H ALA A 29 23.673 0.550 14.835 1.00 51.31 H new ATOM 0 HA ALA A 29 23.617 3.267 14.236 1.00 14.44 H new ATOM 0 HB1 ALA A 29 26.074 3.115 14.487 1.00 51.41 H new ATOM 0 HB2 ALA A 29 25.222 2.207 15.759 1.00 51.41 H new ATOM 0 HB3 ALA A 29 25.965 1.341 14.392 1.00 51.41 H new ATOM 409 N VAL A 30 24.174 3.698 11.878 1.00 53.05 N ATOM 410 CA VAL A 30 24.408 3.962 10.464 1.00 30.12 C ATOM 411 C VAL A 30 25.030 5.339 10.257 1.00 13.12 C ATOM 412 O VAL A 30 24.580 6.328 10.836 1.00 14.35 O ATOM 413 CB VAL A 30 23.101 3.875 9.653 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.378 4.072 8.171 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.409 2.543 9.902 1.00 21.10 C ATOM 0 H VAL A 30 23.801 4.492 12.399 1.00 53.05 H new ATOM 0 HA VAL A 30 25.099 3.197 10.110 1.00 30.12 H new ATOM 0 HB VAL A 30 22.435 4.673 9.982 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.443 4.007 7.614 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.828 5.052 8.012 1.00 20.24 H new ATOM 0 HG13 VAL A 30 24.062 3.298 7.823 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.487 2.498 9.322 1.00 21.10 H new ATOM 0 HG22 VAL A 30 23.068 1.729 9.601 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.175 2.447 10.962 1.00 21.10 H new ATOM 425 N HIS A 31 26.067 5.396 9.428 1.00 64.03 N ATOM 426 CA HIS A 31 26.751 6.651 9.144 1.00 64.42 C ATOM 427 C HIS A 31 26.827 6.901 7.641 1.00 32.44 C ATOM 428 O HIS A 31 27.373 6.089 6.893 1.00 61.22 O ATOM 429 CB HIS A 31 28.158 6.638 9.741 1.00 31.03 C ATOM 430 CG HIS A 31 28.208 6.114 11.144 1.00 51.53 C ATOM 431 ND1 HIS A 31 28.284 4.771 11.444 1.00 72.45 N ATOM 432 CD2 HIS A 31 28.193 6.764 12.331 1.00 62.03 C ATOM 433 CE1 HIS A 31 28.313 4.616 12.755 1.00 20.24 C ATOM 434 NE2 HIS A 31 28.259 5.810 13.317 1.00 41.10 N ATOM 0 H HIS A 31 26.452 4.587 8.941 1.00 64.03 H new ATOM 0 HA HIS A 31 26.178 7.458 9.601 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.806 6.029 9.111 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.560 7.651 9.726 1.00 31.03 H new ATOM 0 HD2 HIS A 31 28.139 7.833 12.476 1.00 62.03 H new ATOM 0 HE1 HIS A 31 28.371 3.673 13.279 1.00 20.24 H new ATOM 0 HE2 HIS A 31 28.265 5.994 14.320 1.00 41.10 H new ATOM 442 N VAL A 32 26.273 8.028 7.203 1.00 24.00 N ATOM 443 CA VAL A 32 26.279 8.384 5.789 1.00 4.03 C ATOM 444 C VAL A 32 27.340 9.437 5.492 1.00 11.32 C ATOM 445 O VAL A 32 27.537 10.372 6.267 1.00 31.44 O ATOM 446 CB VAL A 32 24.904 8.915 5.339 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.835 8.998 3.822 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.789 8.035 5.885 1.00 32.45 C ATOM 0 H VAL A 32 25.814 8.710 7.807 1.00 24.00 H new ATOM 0 HA VAL A 32 26.509 7.474 5.234 1.00 4.03 H new ATOM 0 HB VAL A 32 24.772 9.920 5.740 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.857 9.375 3.522 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.611 9.672 3.459 1.00 52.25 H new ATOM 0 HG13 VAL A 32 24.988 8.006 3.396 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.825 8.424 5.558 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.914 7.017 5.515 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.828 8.032 6.974 1.00 32.45 H new ATOM 458 N PHE A 33 28.023 9.278 4.363 1.00 51.12 N ATOM 459 CA PHE A 33 29.066 10.214 3.962 1.00 51.45 C ATOM 460 C PHE A 33 28.934 10.575 2.485 1.00 55.55 C ATOM 461 O PHE A 33 28.220 9.912 1.734 1.00 10.22 O ATOM 462 CB PHE A 33 30.449 9.617 4.231 1.00 10.20 C ATOM 463 CG PHE A 33 30.840 9.638 5.681 1.00 4.40 C ATOM 464 CD1 PHE A 33 30.237 8.780 6.587 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.808 10.516 6.138 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.594 8.797 7.923 1.00 11.13 C ATOM 467 CE2 PHE A 33 32.169 10.538 7.472 1.00 73.04 C ATOM 468 CZ PHE A 33 31.561 9.678 8.366 1.00 5.30 C ATOM 0 H PHE A 33 27.873 8.509 3.710 1.00 51.12 H new ATOM 0 HA PHE A 33 28.950 11.123 4.552 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.467 8.588 3.873 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.192 10.168 3.655 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.479 8.090 6.246 1.00 34.41 H new ATOM 0 HD2 PHE A 33 32.286 11.191 5.444 1.00 65.40 H new ATOM 0 HE1 PHE A 33 30.117 8.122 8.619 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.926 11.227 7.815 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.841 9.695 9.409 1.00 5.30 H new ATOM 478 N ARG A 34 29.629 11.632 2.076 1.00 64.43 N ATOM 479 CA ARG A 34 29.589 12.083 0.691 1.00 65.22 C ATOM 480 C ARG A 34 30.999 12.303 0.150 1.00 15.34 C ATOM 481 O ARG A 34 31.908 12.681 0.889 1.00 10.42 O ATOM 482 CB ARG A 34 28.780 13.377 0.576 1.00 44.03 C ATOM 483 CG ARG A 34 28.573 13.841 -0.856 1.00 42.14 C ATOM 484 CD ARG A 34 29.559 14.935 -1.236 1.00 65.22 C ATOM 485 NE ARG A 34 29.231 15.546 -2.521 1.00 22.33 N ATOM 486 CZ ARG A 34 29.370 14.924 -3.687 1.00 13.23 C ATOM 487 NH1 ARG A 34 29.829 13.682 -3.729 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.050 15.548 -4.814 1.00 1.52 N ATOM 0 H ARG A 34 30.226 12.192 2.685 1.00 64.43 H new ATOM 0 HA ARG A 34 29.107 11.307 0.097 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.807 13.230 1.045 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.288 14.164 1.134 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.688 12.995 -1.534 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.554 14.210 -0.976 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.566 15.702 -0.461 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.565 14.517 -1.280 1.00 65.22 H new ATOM 0 HE ARG A 34 28.876 16.502 -2.524 1.00 22.33 H new ATOM 0 HH11 ARG A 34 30.077 13.200 -2.865 1.00 32.51 H new ATOM 0 HH12 ARG A 34 29.935 13.207 -4.626 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.698 16.505 -4.785 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.157 15.071 -5.709 1.00 1.52 H new ATOM 502 N LYS A 35 31.174 12.063 -1.146 1.00 52.41 N ATOM 503 CA LYS A 35 32.472 12.235 -1.788 1.00 13.50 C ATOM 504 C LYS A 35 32.855 13.710 -1.853 1.00 22.12 C ATOM 505 O LYS A 35 32.243 14.488 -2.584 1.00 23.40 O ATOM 506 CB LYS A 35 32.449 11.639 -3.197 1.00 52.13 C ATOM 507 CG LYS A 35 33.520 12.206 -4.114 1.00 14.31 C ATOM 508 CD LYS A 35 34.911 12.007 -3.537 1.00 53.52 C ATOM 509 CE LYS A 35 35.178 10.544 -3.216 1.00 23.31 C ATOM 510 NZ LYS A 35 35.183 10.290 -1.749 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.433 11.749 -1.772 1.00 52.41 H new ATOM 0 HA LYS A 35 33.218 11.711 -1.191 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.576 10.559 -3.128 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.470 11.817 -3.642 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.457 11.724 -5.090 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.339 13.269 -4.272 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.655 12.366 -4.247 1.00 53.52 H new ATOM 0 HD3 LYS A 35 35.019 12.605 -2.632 1.00 53.52 H new ATOM 0 HE2 LYS A 35 34.417 9.924 -3.689 1.00 23.31 H new ATOM 0 HE3 LYS A 35 36.138 10.249 -3.639 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 35.875 9.546 -1.528 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.441 11.163 -1.246 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 34.236 9.983 -1.447 1.00 21.52 H new ATOM 524 N ALA A 36 33.872 14.087 -1.086 1.00 11.43 N ATOM 525 CA ALA A 36 34.340 15.467 -1.061 1.00 5.53 C ATOM 526 C ALA A 36 35.103 15.812 -2.335 1.00 3.33 C ATOM 527 O ALA A 36 35.597 14.927 -3.033 1.00 43.41 O ATOM 528 CB ALA A 36 35.214 15.707 0.162 1.00 65.22 C ATOM 0 H ALA A 36 34.388 13.456 -0.473 1.00 11.43 H new ATOM 0 HA ALA A 36 33.468 16.118 -1.004 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.556 16.742 0.167 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.637 15.511 1.066 1.00 65.22 H new ATOM 0 HB3 ALA A 36 36.076 15.040 0.130 1.00 65.22 H new ATOM 534 N ALA A 37 35.194 17.104 -2.633 1.00 31.41 N ATOM 535 CA ALA A 37 35.898 17.566 -3.824 1.00 53.45 C ATOM 536 C ALA A 37 37.369 17.167 -3.779 1.00 42.42 C ATOM 537 O ALA A 37 38.040 17.117 -4.810 1.00 11.14 O ATOM 538 CB ALA A 37 35.762 19.074 -3.966 1.00 43.21 C ATOM 0 H ALA A 37 34.789 17.849 -2.066 1.00 31.41 H new ATOM 0 HA ALA A 37 35.445 17.089 -4.693 1.00 53.45 H new ATOM 0 HB1 ALA A 37 36.292 19.405 -4.859 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.708 19.338 -4.051 1.00 43.21 H new ATOM 0 HB3 ALA A 37 36.188 19.562 -3.089 1.00 43.21 H new ATOM 544 N ASP A 38 37.867 16.887 -2.580 1.00 21.45 N ATOM 545 CA ASP A 38 39.259 16.493 -2.401 1.00 71.21 C ATOM 546 C ASP A 38 39.401 14.974 -2.426 1.00 42.43 C ATOM 547 O ASP A 38 40.420 14.428 -2.002 1.00 64.32 O ATOM 548 CB ASP A 38 39.804 17.047 -1.084 1.00 40.43 C ATOM 549 CG ASP A 38 40.478 18.393 -1.257 1.00 61.52 C ATOM 550 OD1 ASP A 38 39.888 19.270 -1.921 1.00 35.52 O ATOM 551 OD2 ASP A 38 41.597 18.569 -0.730 1.00 52.21 O1- ATOM 0 H ASP A 38 37.326 16.926 -1.716 1.00 21.45 H new ATOM 0 HA ASP A 38 39.837 16.908 -3.227 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.988 17.142 -0.368 1.00 40.43 H new ATOM 0 HB3 ASP A 38 40.517 16.338 -0.663 1.00 40.43 H new ATOM 556 N ASP A 39 38.372 14.296 -2.925 1.00 23.33 N ATOM 557 CA ASP A 39 38.383 12.840 -3.005 1.00 64.41 C ATOM 558 C ASP A 39 38.429 12.220 -1.612 1.00 62.43 C ATOM 559 O ASP A 39 39.147 11.247 -1.377 1.00 42.41 O ATOM 560 CB ASP A 39 39.579 12.362 -3.830 1.00 53.30 C ATOM 561 CG ASP A 39 39.848 13.250 -5.029 1.00 11.54 C ATOM 562 OD1 ASP A 39 39.173 13.069 -6.064 1.00 1.24 O ATOM 563 OD2 ASP A 39 40.734 14.125 -4.933 1.00 73.02 O1- ATOM 0 H ASP A 39 37.521 14.732 -3.280 1.00 23.33 H new ATOM 0 HA ASP A 39 37.463 12.520 -3.495 1.00 64.41 H new ATOM 0 HB2 ASP A 39 40.466 12.334 -3.196 1.00 53.30 H new ATOM 0 HB3 ASP A 39 39.398 11.342 -4.170 1.00 53.30 H new ATOM 568 N THR A 40 37.658 12.788 -0.691 1.00 24.15 N ATOM 569 CA THR A 40 37.612 12.293 0.679 1.00 43.05 C ATOM 570 C THR A 40 36.185 11.957 1.094 1.00 61.51 C ATOM 571 O THR A 40 35.242 12.151 0.326 1.00 34.22 O ATOM 572 CB THR A 40 38.194 13.320 1.667 1.00 44.50 C ATOM 573 OG1 THR A 40 37.258 14.385 1.876 1.00 41.21 O ATOM 574 CG2 THR A 40 39.506 13.888 1.149 1.00 21.33 C ATOM 0 H THR A 40 37.056 13.592 -0.869 1.00 24.15 H new ATOM 0 HA THR A 40 38.219 11.388 0.709 1.00 43.05 H new ATOM 0 HB THR A 40 38.384 12.812 2.612 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.635 15.033 2.507 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.897 14.611 1.865 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.226 13.080 1.019 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.336 14.380 0.191 1.00 21.33 H new ATOM 582 N TRP A 41 36.032 11.452 2.313 1.00 45.03 N ATOM 583 CA TRP A 41 34.717 11.090 2.831 1.00 2.42 C ATOM 584 C TRP A 41 34.220 12.128 3.831 1.00 70.44 C ATOM 585 O TRP A 41 34.713 12.205 4.955 1.00 32.21 O ATOM 586 CB TRP A 41 34.768 9.711 3.492 1.00 70.13 C ATOM 587 CG TRP A 41 34.842 8.584 2.507 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.407 8.616 1.264 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.333 7.257 2.684 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.279 7.391 0.658 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.625 6.539 1.508 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.661 6.606 3.722 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.266 5.204 1.343 1.00 60.44 C ATOM 594 CZ3 TRP A 41 33.305 5.282 3.556 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.609 4.591 2.375 1.00 75.05 C ATOM 0 H TRP A 41 36.802 11.284 2.961 1.00 45.03 H new ATOM 0 HA TRP A 41 34.021 11.058 1.993 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.634 9.664 4.153 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.883 9.582 4.116 1.00 70.13 H new ATOM 0 HD1 TRP A 41 35.884 9.478 0.823 1.00 33.11 H new ATOM 0 HE1 TRP A 41 35.616 7.154 -0.275 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.424 7.129 4.637 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.498 4.671 0.433 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.783 4.770 4.351 1.00 61.10 H new ATOM 0 HH2 TRP A 41 33.319 3.555 2.278 1.00 75.05 H new ATOM 606 N GLU A 42 33.241 12.925 3.413 1.00 73.10 N ATOM 607 CA GLU A 42 32.679 13.959 4.274 1.00 54.20 C ATOM 608 C GLU A 42 31.422 13.457 4.978 1.00 4.34 C ATOM 609 O GLU A 42 30.701 12.596 4.476 1.00 73.22 O ATOM 610 CB GLU A 42 32.354 15.212 3.459 1.00 31.41 C ATOM 611 CG GLU A 42 33.574 16.048 3.114 1.00 53.13 C ATOM 612 CD GLU A 42 33.883 17.092 4.170 1.00 51.31 C ATOM 613 OE1 GLU A 42 33.037 17.986 4.384 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.969 17.017 4.781 1.00 64.44 O ATOM 0 H GLU A 42 32.821 12.874 2.485 1.00 73.10 H new ATOM 0 HA GLU A 42 33.423 14.209 5.030 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.855 14.916 2.537 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.650 15.827 4.019 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.437 15.393 2.993 1.00 53.13 H new ATOM 0 HG3 GLU A 42 33.412 16.542 2.156 1.00 53.13 H new ATOM 621 N PRO A 43 31.153 14.007 6.172 1.00 54.34 N ATOM 622 CA PRO A 43 29.984 13.630 6.972 1.00 24.43 C ATOM 623 C PRO A 43 28.677 14.108 6.348 1.00 42.40 C ATOM 624 O PRO A 43 28.443 15.310 6.217 1.00 63.02 O ATOM 625 CB PRO A 43 30.226 14.335 8.309 1.00 15.11 C ATOM 626 CG PRO A 43 31.102 15.493 7.973 1.00 23.24 C ATOM 627 CD PRO A 43 31.970 15.039 6.833 1.00 63.44 C ATOM 0 HA PRO A 43 29.881 12.548 7.057 1.00 24.43 H new ATOM 0 HB2 PRO A 43 29.289 14.664 8.758 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.707 13.670 9.026 1.00 15.11 H new ATOM 0 HG2 PRO A 43 30.508 16.362 7.689 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.707 15.787 8.831 1.00 23.24 H new ATOM 0 HD2 PRO A 43 32.206 15.860 6.156 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.919 14.635 7.186 1.00 63.44 H new ATOM 635 N PHE A 44 27.828 13.159 5.965 1.00 23.33 N ATOM 636 CA PHE A 44 26.545 13.483 5.355 1.00 30.03 C ATOM 637 C PHE A 44 25.411 13.353 6.368 1.00 11.52 C ATOM 638 O PHE A 44 24.506 14.186 6.415 1.00 21.02 O ATOM 639 CB PHE A 44 26.280 12.569 4.156 1.00 54.34 C ATOM 640 CG PHE A 44 25.012 12.896 3.421 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.789 12.440 3.886 1.00 23.01 C ATOM 642 CD2 PHE A 44 25.042 13.660 2.266 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.620 12.738 3.211 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.877 13.962 1.586 1.00 24.11 C ATOM 645 CZ PHE A 44 22.665 13.501 2.060 1.00 75.12 C ATOM 0 H PHE A 44 28.006 12.160 6.067 1.00 23.33 H new ATOM 0 HA PHE A 44 26.586 14.517 5.013 1.00 30.03 H new ATOM 0 HB2 PHE A 44 27.120 12.638 3.464 1.00 54.34 H new ATOM 0 HB3 PHE A 44 26.235 11.536 4.500 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.749 11.845 4.786 1.00 23.01 H new ATOM 0 HD2 PHE A 44 25.987 14.024 1.892 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.673 12.375 3.583 1.00 44.13 H new ATOM 0 HE2 PHE A 44 23.915 14.557 0.686 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.753 13.737 1.532 1.00 75.12 H new ATOM 655 N ALA A 45 25.468 12.301 7.177 1.00 71.23 N ATOM 656 CA ALA A 45 24.449 12.060 8.191 1.00 64.43 C ATOM 657 C ALA A 45 24.811 10.862 9.061 1.00 24.31 C ATOM 658 O ALA A 45 25.810 10.185 8.816 1.00 5.31 O ATOM 659 CB ALA A 45 23.093 11.848 7.535 1.00 55.21 C ATOM 0 H ALA A 45 26.210 11.601 7.150 1.00 71.23 H new ATOM 0 HA ALA A 45 24.397 12.939 8.834 1.00 64.43 H new ATOM 0 HB1 ALA A 45 22.341 11.669 8.304 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.823 12.736 6.963 1.00 55.21 H new ATOM 0 HB3 ALA A 45 23.142 10.987 6.868 1.00 55.21 H new ATOM 665 N SER A 46 23.994 10.606 10.078 1.00 61.42 N ATOM 666 CA SER A 46 24.232 9.491 10.987 1.00 20.23 C ATOM 667 C SER A 46 23.035 9.278 11.909 1.00 55.20 C ATOM 668 O SER A 46 22.343 10.227 12.275 1.00 65.33 O ATOM 669 CB SER A 46 25.492 9.741 11.816 1.00 30.24 C ATOM 670 OG SER A 46 25.343 9.242 13.135 1.00 45.23 O ATOM 0 H SER A 46 23.162 11.155 10.293 1.00 61.42 H new ATOM 0 HA SER A 46 24.373 8.590 10.390 1.00 20.23 H new ATOM 0 HB2 SER A 46 26.347 9.263 11.337 1.00 30.24 H new ATOM 0 HB3 SER A 46 25.703 10.810 11.850 1.00 30.24 H new ATOM 0 HG SER A 46 26.163 9.413 13.644 1.00 45.23 H new ATOM 676 N GLY A 47 22.800 8.024 12.284 1.00 22.52 N ATOM 677 CA GLY A 47 21.687 7.708 13.161 1.00 13.24 C ATOM 678 C GLY A 47 21.501 6.215 13.346 1.00 23.24 C ATOM 679 O GLY A 47 22.450 5.442 13.214 1.00 53.34 O ATOM 0 H GLY A 47 23.360 7.222 11.996 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.850 8.174 14.133 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.772 8.137 12.752 1.00 13.24 H new ATOM 683 N LYS A 48 20.275 5.807 13.656 1.00 71.53 N ATOM 684 CA LYS A 48 19.966 4.398 13.861 1.00 65.33 C ATOM 685 C LYS A 48 18.694 4.005 13.115 1.00 1.25 C ATOM 686 O LYS A 48 17.690 4.718 13.160 1.00 42.23 O ATOM 687 CB LYS A 48 19.806 4.100 15.354 1.00 75.34 C ATOM 688 CG LYS A 48 21.089 3.636 16.021 1.00 22.40 C ATOM 689 CD LYS A 48 20.880 3.364 17.502 1.00 43.34 C ATOM 690 CE LYS A 48 20.528 4.636 18.258 1.00 30.21 C ATOM 691 NZ LYS A 48 21.093 4.637 19.635 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.479 6.434 13.771 1.00 71.53 H new ATOM 0 HA LYS A 48 20.795 3.810 13.466 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.447 4.997 15.859 1.00 75.34 H new ATOM 0 HB3 LYS A 48 19.041 3.334 15.483 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.448 2.731 15.531 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.861 4.395 15.895 1.00 22.40 H new ATOM 0 HD2 LYS A 48 20.083 2.631 17.630 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.785 2.927 17.924 1.00 43.34 H new ATOM 0 HE2 LYS A 48 20.905 5.500 17.710 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.444 4.739 18.310 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 20.831 5.520 20.117 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 20.714 3.827 20.166 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 22.129 4.564 19.585 1.00 35.43 H new ATOM 705 N THR A 49 18.742 2.866 12.430 1.00 51.42 N ATOM 706 CA THR A 49 17.594 2.379 11.676 1.00 70.12 C ATOM 707 C THR A 49 16.383 2.187 12.581 1.00 10.11 C ATOM 708 O THR A 49 16.485 2.297 13.802 1.00 53.44 O ATOM 709 CB THR A 49 17.910 1.047 10.970 1.00 52.42 C ATOM 710 OG1 THR A 49 18.091 0.010 11.940 1.00 74.22 O ATOM 711 CG2 THR A 49 19.162 1.172 10.114 1.00 34.12 C ATOM 0 H THR A 49 19.564 2.264 12.382 1.00 51.42 H new ATOM 0 HA THR A 49 17.366 3.135 10.924 1.00 70.12 H new ATOM 0 HB THR A 49 17.070 0.796 10.322 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.305 -0.576 11.943 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.365 0.219 9.625 1.00 34.12 H new ATOM 0 HG22 THR A 49 19.010 1.942 9.358 1.00 34.12 H new ATOM 0 HG23 THR A 49 20.008 1.444 10.745 1.00 34.12 H new ATOM 719 N SER A 50 15.236 1.899 11.974 1.00 34.50 N ATOM 720 CA SER A 50 14.003 1.695 12.725 1.00 20.42 C ATOM 721 C SER A 50 13.352 0.367 12.350 1.00 73.51 C ATOM 722 O SER A 50 13.801 -0.318 11.430 1.00 35.41 O ATOM 723 CB SER A 50 13.028 2.844 12.468 1.00 43.22 C ATOM 724 OG SER A 50 11.885 2.738 13.298 1.00 64.44 O ATOM 0 H SER A 50 15.135 1.802 10.964 1.00 34.50 H new ATOM 0 HA SER A 50 14.253 1.671 13.786 1.00 20.42 H new ATOM 0 HB2 SER A 50 13.527 3.796 12.650 1.00 43.22 H new ATOM 0 HB3 SER A 50 12.723 2.839 11.422 1.00 43.22 H new ATOM 0 HG SER A 50 11.278 3.485 13.116 1.00 64.44 H new ATOM 730 N GLU A 51 12.292 0.010 13.068 1.00 30.32 N ATOM 731 CA GLU A 51 11.580 -1.236 12.811 1.00 23.23 C ATOM 732 C GLU A 51 10.853 -1.181 11.470 1.00 40.22 C ATOM 733 O GLU A 51 10.331 -2.188 10.993 1.00 52.42 O ATOM 734 CB GLU A 51 10.580 -1.518 13.935 1.00 74.31 C ATOM 735 CG GLU A 51 9.722 -0.319 14.302 1.00 31.32 C ATOM 736 CD GLU A 51 8.237 -0.608 14.192 1.00 73.14 C ATOM 737 OE1 GLU A 51 7.834 -1.281 13.219 1.00 65.12 O1- ATOM 738 OE2 GLU A 51 7.479 -0.161 15.078 1.00 52.03 O ATOM 0 H GLU A 51 11.908 0.566 13.832 1.00 30.32 H new ATOM 0 HA GLU A 51 12.312 -2.043 12.774 1.00 23.23 H new ATOM 0 HB2 GLU A 51 9.931 -2.340 13.634 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.124 -1.849 14.819 1.00 74.31 H new ATOM 0 HG2 GLU A 51 9.954 -0.010 15.321 1.00 31.32 H new ATOM 0 HG3 GLU A 51 9.975 0.517 13.650 1.00 31.32 H new ATOM 745 N SER A 52 10.823 0.004 10.869 1.00 1.54 N ATOM 746 CA SER A 52 10.157 0.194 9.585 1.00 44.12 C ATOM 747 C SER A 52 11.168 0.188 8.443 1.00 3.03 C ATOM 748 O SER A 52 10.809 0.376 7.281 1.00 54.51 O ATOM 749 CB SER A 52 9.374 1.508 9.582 1.00 55.52 C ATOM 750 OG SER A 52 8.716 1.706 8.343 1.00 34.12 O ATOM 0 H SER A 52 11.252 0.847 11.250 1.00 1.54 H new ATOM 0 HA SER A 52 9.463 -0.634 9.437 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.642 1.501 10.389 1.00 55.52 H new ATOM 0 HB3 SER A 52 10.052 2.340 9.774 1.00 55.52 H new ATOM 0 HG SER A 52 9.239 1.293 7.625 1.00 34.12 H new ATOM 756 N GLY A 53 12.435 -0.029 8.782 1.00 14.45 N ATOM 757 CA GLY A 53 13.479 -0.056 7.775 1.00 40.03 C ATOM 758 C GLY A 53 13.769 1.319 7.205 1.00 14.23 C ATOM 759 O GLY A 53 14.311 1.441 6.107 1.00 21.34 O ATOM 0 H GLY A 53 12.757 -0.187 9.737 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.390 -0.465 8.211 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.184 -0.726 6.968 1.00 40.03 H new ATOM 763 N GLU A 54 13.406 2.357 7.953 1.00 31.13 N ATOM 764 CA GLU A 54 13.629 3.729 7.513 1.00 52.11 C ATOM 765 C GLU A 54 14.292 4.552 8.615 1.00 0.31 C ATOM 766 O GLU A 54 13.982 4.394 9.795 1.00 51.32 O ATOM 767 CB GLU A 54 12.306 4.378 7.103 1.00 40.52 C ATOM 768 CG GLU A 54 11.178 4.139 8.093 1.00 10.03 C ATOM 769 CD GLU A 54 10.071 5.169 7.977 1.00 73.01 C ATOM 770 OE1 GLU A 54 10.362 6.372 8.149 1.00 31.31 O ATOM 771 OE2 GLU A 54 8.917 4.774 7.715 1.00 75.13 O1- ATOM 0 H GLU A 54 12.957 2.274 8.865 1.00 31.13 H new ATOM 0 HA GLU A 54 14.295 3.704 6.651 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.457 5.451 6.990 1.00 40.52 H new ATOM 0 HB3 GLU A 54 12.009 3.993 6.127 1.00 40.52 H new ATOM 0 HG2 GLU A 54 10.762 3.145 7.931 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.579 4.155 9.106 1.00 10.03 H new ATOM 778 N LEU A 55 15.207 5.430 8.218 1.00 5.54 N ATOM 779 CA LEU A 55 15.916 6.278 9.170 1.00 34.15 C ATOM 780 C LEU A 55 15.549 7.744 8.972 1.00 70.31 C ATOM 781 O LEU A 55 15.915 8.356 7.968 1.00 34.41 O ATOM 782 CB LEU A 55 17.428 6.094 9.021 1.00 4.21 C ATOM 783 CG LEU A 55 18.207 5.863 10.316 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.631 5.422 10.011 1.00 50.42 C ATOM 785 CD2 LEU A 55 18.208 7.124 11.169 1.00 14.12 C ATOM 0 H LEU A 55 15.475 5.573 7.244 1.00 5.54 H new ATOM 0 HA LEU A 55 15.618 5.981 10.175 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.607 5.248 8.357 1.00 4.21 H new ATOM 0 HB3 LEU A 55 17.835 6.977 8.529 1.00 4.21 H new ATOM 0 HG LEU A 55 17.715 5.069 10.877 1.00 2.23 H new ATOM 0 HD11 LEU A 55 20.170 5.262 10.945 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.610 4.493 9.441 1.00 50.42 H new ATOM 0 HD13 LEU A 55 20.134 6.194 9.429 1.00 50.42 H new ATOM 0 HD21 LEU A 55 18.767 6.942 12.087 1.00 14.12 H new ATOM 0 HD22 LEU A 55 18.676 7.938 10.615 1.00 14.12 H new ATOM 0 HD23 LEU A 55 17.182 7.396 11.417 1.00 14.12 H new ATOM 797 N HIS A 56 14.825 8.304 9.935 1.00 5.15 N ATOM 798 CA HIS A 56 14.409 9.701 9.868 1.00 13.42 C ATOM 799 C HIS A 56 15.409 10.600 10.589 1.00 51.22 C ATOM 800 O HIS A 56 15.715 10.390 11.762 1.00 34.12 O ATOM 801 CB HIS A 56 13.019 9.872 10.479 1.00 32.12 C ATOM 802 CG HIS A 56 12.926 9.399 11.898 1.00 53.30 C ATOM 803 ND1 HIS A 56 12.677 8.087 12.239 1.00 23.11 N ATOM 804 CD2 HIS A 56 13.052 10.072 13.065 1.00 72.43 C ATOM 805 CE1 HIS A 56 12.652 7.973 13.554 1.00 1.32 C ATOM 806 NE2 HIS A 56 12.877 9.164 14.080 1.00 3.25 N ATOM 0 H HIS A 56 14.514 7.812 10.772 1.00 5.15 H new ATOM 0 HA HIS A 56 14.374 9.994 8.819 1.00 13.42 H new ATOM 0 HB2 HIS A 56 12.739 10.925 10.436 1.00 32.12 H new ATOM 0 HB3 HIS A 56 12.295 9.325 9.874 1.00 32.12 H new ATOM 0 HD2 HIS A 56 13.253 11.127 13.177 1.00 72.43 H new ATOM 0 HE1 HIS A 56 12.477 7.061 14.106 1.00 1.32 H new ATOM 0 HE2 HIS A 56 12.915 9.375 15.077 1.00 3.25 H new ATOM 814 N GLY A 57 15.915 11.603 9.877 1.00 61.41 N ATOM 815 CA GLY A 57 16.876 12.518 10.465 1.00 74.22 C ATOM 816 C GLY A 57 18.116 12.687 9.610 1.00 32.15 C ATOM 817 O GLY A 57 18.847 13.668 9.749 1.00 74.24 O ATOM 0 H GLY A 57 15.677 11.798 8.905 1.00 61.41 H new ATOM 0 HA2 GLY A 57 16.405 13.490 10.612 1.00 74.22 H new ATOM 0 HA3 GLY A 57 17.165 12.152 11.450 1.00 74.22 H new ATOM 821 N LEU A 58 18.354 11.729 8.721 1.00 71.24 N ATOM 822 CA LEU A 58 19.515 11.775 7.839 1.00 13.14 C ATOM 823 C LEU A 58 19.228 12.623 6.604 1.00 72.13 C ATOM 824 O LEU A 58 20.119 13.285 6.071 1.00 54.40 O ATOM 825 CB LEU A 58 19.917 10.359 7.418 1.00 52.25 C ATOM 826 CG LEU A 58 20.083 9.344 8.550 1.00 45.12 C ATOM 827 CD1 LEU A 58 20.546 8.004 8.001 1.00 71.41 C ATOM 828 CD2 LEU A 58 21.063 9.864 9.591 1.00 33.14 C ATOM 0 H LEU A 58 17.759 10.911 8.592 1.00 71.24 H new ATOM 0 HA LEU A 58 20.339 12.232 8.387 1.00 13.14 H new ATOM 0 HB2 LEU A 58 19.166 9.981 6.725 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.857 10.418 6.869 1.00 52.25 H new ATOM 0 HG LEU A 58 19.115 9.201 9.030 1.00 45.12 H new ATOM 0 HD11 LEU A 58 20.659 7.294 8.821 1.00 71.41 H new ATOM 0 HD12 LEU A 58 19.808 7.626 7.293 1.00 71.41 H new ATOM 0 HD13 LEU A 58 21.503 8.129 7.495 1.00 71.41 H new ATOM 0 HD21 LEU A 58 21.169 9.130 10.389 1.00 33.14 H new ATOM 0 HD22 LEU A 58 22.033 10.036 9.124 1.00 33.14 H new ATOM 0 HD23 LEU A 58 20.690 10.800 10.007 1.00 33.14 H new ATOM 840 N THR A 59 17.977 12.599 6.154 1.00 63.43 N ATOM 841 CA THR A 59 17.571 13.366 4.984 1.00 22.11 C ATOM 842 C THR A 59 17.845 14.853 5.178 1.00 64.24 C ATOM 843 O THR A 59 17.391 15.457 6.151 1.00 72.41 O ATOM 844 CB THR A 59 16.076 13.167 4.671 1.00 73.42 C ATOM 845 OG1 THR A 59 15.290 13.463 5.832 1.00 35.32 O ATOM 846 CG2 THR A 59 15.803 11.741 4.218 1.00 74.22 C ATOM 0 H THR A 59 17.228 12.056 6.583 1.00 63.43 H new ATOM 0 HA THR A 59 18.162 12.997 4.145 1.00 22.11 H new ATOM 0 HB THR A 59 15.802 13.846 3.864 1.00 73.42 H new ATOM 0 HG1 THR A 59 15.684 14.223 6.309 1.00 35.32 H new ATOM 0 HG21 THR A 59 14.741 11.625 4.003 1.00 74.22 H new ATOM 0 HG22 THR A 59 16.381 11.528 3.319 1.00 74.22 H new ATOM 0 HG23 THR A 59 16.091 11.047 5.007 1.00 74.22 H new ATOM 854 N THR A 60 18.590 15.440 4.247 1.00 12.24 N ATOM 855 CA THR A 60 18.924 16.857 4.316 1.00 43.44 C ATOM 856 C THR A 60 19.146 17.438 2.924 1.00 34.10 C ATOM 857 O THR A 60 19.171 16.709 1.934 1.00 22.23 O ATOM 858 CB THR A 60 20.186 17.095 5.167 1.00 21.12 C ATOM 859 OG1 THR A 60 21.247 16.245 4.717 1.00 74.34 O ATOM 860 CG2 THR A 60 19.905 16.830 6.637 1.00 41.12 C ATOM 0 H THR A 60 18.974 14.956 3.436 1.00 12.24 H new ATOM 0 HA THR A 60 18.078 17.359 4.785 1.00 43.44 H new ATOM 0 HB THR A 60 20.483 18.137 5.053 1.00 21.12 H new ATOM 0 HG1 THR A 60 22.046 16.403 5.262 1.00 74.34 H new ATOM 0 HG21 THR A 60 20.811 17.005 7.218 1.00 41.12 H new ATOM 0 HG22 THR A 60 19.117 17.499 6.983 1.00 41.12 H new ATOM 0 HG23 THR A 60 19.585 15.796 6.766 1.00 41.12 H new ATOM 868 N GLU A 61 19.307 18.756 2.857 1.00 14.50 N ATOM 869 CA GLU A 61 19.527 19.435 1.585 1.00 24.54 C ATOM 870 C GLU A 61 20.834 18.979 0.944 1.00 54.52 C ATOM 871 O GLU A 61 21.061 19.192 -0.246 1.00 63.11 O ATOM 872 CB GLU A 61 19.545 20.951 1.788 1.00 35.23 C ATOM 873 CG GLU A 61 20.649 21.427 2.716 1.00 25.21 C ATOM 874 CD GLU A 61 20.760 22.939 2.765 1.00 70.35 C ATOM 875 OE1 GLU A 61 19.723 23.602 2.976 1.00 33.30 O ATOM 876 OE2 GLU A 61 21.882 23.459 2.592 1.00 13.54 O1- ATOM 0 H GLU A 61 19.289 19.374 3.668 1.00 14.50 H new ATOM 0 HA GLU A 61 18.706 19.176 0.916 1.00 24.54 H new ATOM 0 HB2 GLU A 61 19.661 21.438 0.820 1.00 35.23 H new ATOM 0 HB3 GLU A 61 18.582 21.267 2.190 1.00 35.23 H new ATOM 0 HG2 GLU A 61 20.463 21.048 3.721 1.00 25.21 H new ATOM 0 HG3 GLU A 61 21.600 21.007 2.388 1.00 25.21 H new ATOM 883 N GLU A 62 21.691 18.352 1.744 1.00 72.32 N ATOM 884 CA GLU A 62 22.977 17.868 1.254 1.00 31.42 C ATOM 885 C GLU A 62 22.784 16.796 0.186 1.00 1.45 C ATOM 886 O GLU A 62 23.710 16.474 -0.558 1.00 71.41 O ATOM 887 CB GLU A 62 23.810 17.308 2.410 1.00 1.21 C ATOM 888 CG GLU A 62 24.769 18.319 3.015 1.00 10.03 C ATOM 889 CD GLU A 62 25.383 17.835 4.314 1.00 2.43 C ATOM 890 OE1 GLU A 62 26.253 16.939 4.263 1.00 75.13 O ATOM 891 OE2 GLU A 62 24.995 18.351 5.382 1.00 32.10 O1- ATOM 0 H GLU A 62 21.519 18.167 2.732 1.00 72.32 H new ATOM 0 HA GLU A 62 23.507 18.709 0.808 1.00 31.42 H new ATOM 0 HB2 GLU A 62 23.138 16.946 3.188 1.00 1.21 H new ATOM 0 HB3 GLU A 62 24.378 16.449 2.054 1.00 1.21 H new ATOM 0 HG2 GLU A 62 25.563 18.534 2.300 1.00 10.03 H new ATOM 0 HG3 GLU A 62 24.239 19.255 3.194 1.00 10.03 H new ATOM 898 N GLU A 63 21.575 16.247 0.118 1.00 1.55 N ATOM 899 CA GLU A 63 21.261 15.210 -0.858 1.00 2.15 C ATOM 900 C GLU A 63 21.315 15.766 -2.278 1.00 33.05 C ATOM 901 O GLU A 63 21.341 15.011 -3.251 1.00 33.04 O ATOM 902 CB GLU A 63 19.876 14.620 -0.581 1.00 4.33 C ATOM 903 CG GLU A 63 18.737 15.582 -0.871 1.00 54.34 C ATOM 904 CD GLU A 63 18.248 15.491 -2.305 1.00 22.40 C ATOM 905 OE1 GLU A 63 18.223 14.369 -2.852 1.00 61.14 O ATOM 906 OE2 GLU A 63 17.891 16.542 -2.878 1.00 12.13 O1- ATOM 0 H GLU A 63 20.798 16.503 0.727 1.00 1.55 H new ATOM 0 HA GLU A 63 22.008 14.422 -0.766 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.745 13.722 -1.185 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.824 14.312 0.463 1.00 4.33 H new ATOM 0 HG2 GLU A 63 17.908 15.373 -0.194 1.00 54.34 H new ATOM 0 HG3 GLU A 63 19.066 16.601 -0.667 1.00 54.34 H new ATOM 913 N PHE A 64 21.331 17.090 -2.389 1.00 14.24 N ATOM 914 CA PHE A 64 21.380 17.747 -3.689 1.00 42.31 C ATOM 915 C PHE A 64 22.798 17.733 -4.253 1.00 11.50 C ATOM 916 O PHE A 64 23.381 18.783 -4.525 1.00 32.43 O ATOM 917 CB PHE A 64 20.880 19.189 -3.574 1.00 12.40 C ATOM 918 CG PHE A 64 20.308 19.729 -4.854 1.00 41.53 C ATOM 919 CD1 PHE A 64 19.070 19.306 -5.309 1.00 45.43 C ATOM 920 CD2 PHE A 64 21.011 20.660 -5.603 1.00 43.22 C ATOM 921 CE1 PHE A 64 18.541 19.801 -6.485 1.00 42.01 C ATOM 922 CE2 PHE A 64 20.487 21.158 -6.781 1.00 2.15 C ATOM 923 CZ PHE A 64 19.252 20.728 -7.224 1.00 13.33 C ATOM 0 H PHE A 64 21.311 17.729 -1.594 1.00 14.24 H new ATOM 0 HA PHE A 64 20.731 17.197 -4.371 1.00 42.31 H new ATOM 0 HB2 PHE A 64 20.119 19.240 -2.795 1.00 12.40 H new ATOM 0 HB3 PHE A 64 21.705 19.827 -3.256 1.00 12.40 H new ATOM 0 HD1 PHE A 64 18.511 18.580 -4.737 1.00 45.43 H new ATOM 0 HD2 PHE A 64 21.978 21.000 -5.263 1.00 43.22 H new ATOM 0 HE1 PHE A 64 17.573 19.464 -6.827 1.00 42.01 H new ATOM 0 HE2 PHE A 64 21.044 21.884 -7.355 1.00 2.15 H new ATOM 0 HZ PHE A 64 18.843 21.115 -8.145 1.00 13.33 H new ATOM 933 N VAL A 65 23.348 16.535 -4.426 1.00 14.35 N ATOM 934 CA VAL A 65 24.697 16.382 -4.957 1.00 53.13 C ATOM 935 C VAL A 65 24.712 15.438 -6.154 1.00 62.20 C ATOM 936 O VAL A 65 23.667 14.956 -6.590 1.00 61.02 O ATOM 937 CB VAL A 65 25.666 15.850 -3.884 1.00 52.31 C ATOM 938 CG1 VAL A 65 25.866 16.882 -2.786 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.153 14.539 -3.307 1.00 75.10 C ATOM 0 H VAL A 65 22.880 15.656 -4.206 1.00 14.35 H new ATOM 0 HA VAL A 65 25.027 17.371 -5.274 1.00 53.13 H new ATOM 0 HB VAL A 65 26.632 15.662 -4.353 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.553 16.488 -2.037 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.281 17.794 -3.215 1.00 53.55 H new ATOM 0 HG13 VAL A 65 24.908 17.105 -2.317 1.00 53.55 H new ATOM 0 HG21 VAL A 65 25.849 14.177 -2.551 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.175 14.699 -2.853 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.066 13.800 -4.104 1.00 75.10 H new ATOM 949 N GLU A 66 25.905 15.178 -6.681 1.00 2.51 N ATOM 950 CA GLU A 66 26.056 14.291 -7.829 1.00 74.43 C ATOM 951 C GLU A 66 25.317 12.975 -7.600 1.00 23.21 C ATOM 952 O GLU A 66 24.626 12.477 -8.487 1.00 2.04 O ATOM 953 CB GLU A 66 27.537 14.018 -8.098 1.00 20.43 C ATOM 954 CG GLU A 66 28.318 15.253 -8.512 1.00 34.14 C ATOM 955 CD GLU A 66 29.518 14.921 -9.379 1.00 41.54 C ATOM 956 OE1 GLU A 66 29.329 14.271 -10.427 1.00 10.42 O1- ATOM 957 OE2 GLU A 66 30.645 15.311 -9.006 1.00 71.33 O ATOM 0 H GLU A 66 26.780 15.569 -6.332 1.00 2.51 H new ATOM 0 HA GLU A 66 25.622 14.785 -8.698 1.00 74.43 H new ATOM 0 HB2 GLU A 66 27.989 13.597 -7.200 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.623 13.265 -8.881 1.00 20.43 H new ATOM 0 HG2 GLU A 66 27.659 15.930 -9.055 1.00 34.14 H new ATOM 0 HG3 GLU A 66 28.654 15.782 -7.620 1.00 34.14 H new ATOM 964 N GLY A 67 25.470 12.419 -6.401 1.00 71.33 N ATOM 965 CA GLY A 67 24.813 11.166 -6.077 1.00 61.34 C ATOM 966 C GLY A 67 25.707 10.229 -5.290 1.00 70.12 C ATOM 967 O GLY A 67 25.263 9.176 -4.831 1.00 52.23 O ATOM 0 H GLY A 67 26.036 12.813 -5.650 1.00 71.33 H new ATOM 0 HA2 GLY A 67 23.910 11.371 -5.501 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.499 10.675 -6.998 1.00 61.34 H new ATOM 971 N ILE A 68 26.971 10.611 -5.135 1.00 31.34 N ATOM 972 CA ILE A 68 27.930 9.796 -4.400 1.00 24.21 C ATOM 973 C ILE A 68 27.619 9.795 -2.907 1.00 41.21 C ATOM 974 O ILE A 68 27.636 10.841 -2.257 1.00 52.24 O ATOM 975 CB ILE A 68 29.371 10.295 -4.612 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.665 10.449 -6.106 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.363 9.337 -3.967 1.00 43.11 C ATOM 978 CD1 ILE A 68 30.976 11.148 -6.393 1.00 24.51 C ATOM 0 H ILE A 68 27.354 11.479 -5.509 1.00 31.34 H new ATOM 0 HA ILE A 68 27.845 8.781 -4.788 1.00 24.21 H new ATOM 0 HB ILE A 68 29.477 11.271 -4.137 1.00 2.11 H new ATOM 0 HG12 ILE A 68 29.679 9.462 -6.569 1.00 53.05 H new ATOM 0 HG13 ILE A 68 28.854 11.009 -6.572 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.378 9.703 -4.125 1.00 43.11 H new ATOM 0 HG22 ILE A 68 30.163 9.272 -2.897 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.259 8.349 -4.416 1.00 43.11 H new ATOM 0 HD11 ILE A 68 31.120 11.223 -7.471 1.00 24.51 H new ATOM 0 HD12 ILE A 68 30.958 12.148 -5.959 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.796 10.578 -5.956 1.00 24.51 H new ATOM 990 N TYR A 69 27.335 8.615 -2.368 1.00 43.21 N ATOM 991 CA TYR A 69 27.019 8.477 -0.950 1.00 1.03 C ATOM 992 C TYR A 69 27.649 7.214 -0.372 1.00 42.24 C ATOM 993 O TYR A 69 27.705 6.176 -1.032 1.00 25.42 O ATOM 994 CB TYR A 69 25.504 8.446 -0.745 1.00 41.35 C ATOM 995 CG TYR A 69 24.786 9.629 -1.355 1.00 60.55 C ATOM 996 CD1 TYR A 69 25.066 10.926 -0.941 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.827 9.449 -2.344 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.412 12.009 -1.495 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.169 10.527 -2.904 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.464 11.805 -2.475 1.00 22.23 C ATOM 1001 OH TYR A 69 22.809 12.880 -3.031 1.00 34.52 O ATOM 0 H TYR A 69 27.317 7.739 -2.891 1.00 43.21 H new ATOM 0 HA TYR A 69 27.432 9.339 -0.426 1.00 1.03 H new ATOM 0 HB2 TYR A 69 25.106 7.528 -1.177 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.291 8.414 0.323 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.808 11.090 -0.173 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.592 8.450 -2.681 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.642 13.010 -1.162 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.428 10.370 -3.674 1.00 73.53 H new ATOM 0 HH TYR A 69 22.053 13.133 -2.461 1.00 34.52 H new ATOM 1011 N LYS A 70 28.122 7.309 0.866 1.00 53.02 N ATOM 1012 CA LYS A 70 28.746 6.175 1.537 1.00 22.35 C ATOM 1013 C LYS A 70 28.078 5.903 2.880 1.00 44.40 C ATOM 1014 O LYS A 70 28.306 6.619 3.855 1.00 32.24 O ATOM 1015 CB LYS A 70 30.240 6.437 1.741 1.00 11.12 C ATOM 1016 CG LYS A 70 30.995 6.697 0.449 1.00 64.32 C ATOM 1017 CD LYS A 70 31.612 8.086 0.434 1.00 64.11 C ATOM 1018 CE LYS A 70 31.870 8.565 -0.986 1.00 50.51 C ATOM 1019 NZ LYS A 70 33.035 7.870 -1.603 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.085 8.161 1.426 1.00 53.02 H new ATOM 0 HA LYS A 70 28.621 5.296 0.905 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.363 7.295 2.402 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.685 5.579 2.245 1.00 11.12 H new ATOM 0 HG2 LYS A 70 31.778 5.949 0.327 1.00 64.32 H new ATOM 0 HG3 LYS A 70 30.317 6.590 -0.398 1.00 64.32 H new ATOM 0 HD2 LYS A 70 30.947 8.786 0.940 1.00 64.11 H new ATOM 0 HD3 LYS A 70 32.549 8.075 0.992 1.00 64.11 H new ATOM 0 HE2 LYS A 70 30.982 8.394 -1.594 1.00 50.51 H new ATOM 0 HE3 LYS A 70 32.050 9.640 -0.980 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 33.422 8.456 -2.370 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 33.768 7.715 -0.882 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 32.729 6.954 -1.988 1.00 34.32 H new ATOM 1033 N VAL A 71 27.251 4.862 2.926 1.00 65.12 N ATOM 1034 CA VAL A 71 26.553 4.494 4.151 1.00 43.30 C ATOM 1035 C VAL A 71 27.214 3.296 4.822 1.00 4.12 C ATOM 1036 O VAL A 71 27.337 2.228 4.224 1.00 32.12 O ATOM 1037 CB VAL A 71 25.074 4.163 3.875 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.377 3.725 5.154 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.367 5.360 3.257 1.00 13.51 C ATOM 0 H VAL A 71 27.049 4.259 2.128 1.00 65.12 H new ATOM 0 HA VAL A 71 26.607 5.355 4.818 1.00 43.30 H new ATOM 0 HB VAL A 71 25.031 3.337 3.165 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.333 3.495 4.939 1.00 72.13 H new ATOM 0 HG12 VAL A 71 24.870 2.837 5.551 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.428 4.528 5.889 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.323 5.109 3.069 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.418 6.206 3.942 1.00 13.51 H new ATOM 0 HG23 VAL A 71 24.852 5.624 2.317 1.00 13.51 H new ATOM 1049 N GLU A 72 27.637 3.481 6.069 1.00 21.11 N ATOM 1050 CA GLU A 72 28.287 2.414 6.821 1.00 23.21 C ATOM 1051 C GLU A 72 27.406 1.949 7.977 1.00 64.10 C ATOM 1052 O GLU A 72 26.829 2.764 8.698 1.00 4.11 O ATOM 1053 CB GLU A 72 29.640 2.887 7.355 1.00 23.23 C ATOM 1054 CG GLU A 72 29.964 2.361 8.744 1.00 11.22 C ATOM 1055 CD GLU A 72 31.439 2.468 9.078 1.00 2.12 C ATOM 1056 OE1 GLU A 72 31.939 3.606 9.200 1.00 13.44 O ATOM 1057 OE2 GLU A 72 32.092 1.414 9.220 1.00 15.25 O1- ATOM 0 H GLU A 72 27.541 4.359 6.579 1.00 21.11 H new ATOM 0 HA GLU A 72 28.445 1.573 6.146 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.423 2.573 6.665 1.00 23.23 H new ATOM 0 HB3 GLU A 72 29.652 3.977 7.376 1.00 23.23 H new ATOM 0 HG2 GLU A 72 29.387 2.917 9.483 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.654 1.319 8.815 1.00 11.22 H new ATOM 1064 N ILE A 73 27.307 0.635 8.146 1.00 64.22 N ATOM 1065 CA ILE A 73 26.497 0.062 9.213 1.00 54.32 C ATOM 1066 C ILE A 73 27.366 -0.671 10.231 1.00 14.42 C ATOM 1067 O ILE A 73 28.223 -1.476 9.865 1.00 11.03 O ATOM 1068 CB ILE A 73 25.442 -0.914 8.659 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.536 -0.202 7.653 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.621 -1.508 9.793 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.490 -0.874 6.299 1.00 1.34 C ATOM 0 H ILE A 73 27.778 -0.053 7.558 1.00 64.22 H new ATOM 0 HA ILE A 73 25.989 0.893 9.703 1.00 54.32 H new ATOM 0 HB ILE A 73 25.955 -1.727 8.145 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.526 -0.151 8.059 1.00 2.33 H new ATOM 0 HG13 ILE A 73 24.881 0.824 7.529 1.00 2.33 H new ATOM 0 HG21 ILE A 73 23.880 -2.195 9.385 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.279 -2.047 10.475 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.115 -0.708 10.333 1.00 24.31 H new ATOM 0 HD11 ILE A 73 23.829 -0.315 5.637 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.492 -0.901 5.872 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.116 -1.892 6.410 1.00 1.34 H new ATOM 1083 N ASP A 74 27.138 -0.388 11.508 1.00 44.44 N ATOM 1084 CA ASP A 74 27.898 -1.021 12.579 1.00 10.11 C ATOM 1085 C ASP A 74 27.116 -2.180 13.188 1.00 13.42 C ATOM 1086 O ASP A 74 26.246 -1.978 14.037 1.00 64.24 O ATOM 1087 CB ASP A 74 28.245 0.002 13.662 1.00 20.22 C ATOM 1088 CG ASP A 74 29.723 0.010 13.997 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.545 -0.008 13.058 1.00 11.04 O ATOM 1090 OD2 ASP A 74 30.059 0.036 15.200 1.00 62.12 O1- ATOM 0 H ASP A 74 26.433 0.276 11.827 1.00 44.44 H new ATOM 0 HA ASP A 74 28.821 -1.413 12.153 1.00 10.11 H new ATOM 0 HB2 ASP A 74 27.945 0.996 13.329 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.672 -0.218 14.563 1.00 20.22 H new ATOM 1095 N THR A 75 27.429 -3.396 12.750 1.00 2.21 N ATOM 1096 CA THR A 75 26.754 -4.586 13.250 1.00 43.11 C ATOM 1097 C THR A 75 27.400 -5.083 14.538 1.00 52.03 C ATOM 1098 O THR A 75 26.772 -5.792 15.326 1.00 42.55 O ATOM 1099 CB THR A 75 26.772 -5.721 12.209 1.00 63.11 C ATOM 1100 OG1 THR A 75 28.102 -6.235 12.067 1.00 13.12 O ATOM 1101 CG2 THR A 75 26.268 -5.228 10.862 1.00 71.34 C ATOM 0 H THR A 75 28.147 -3.582 12.049 1.00 2.21 H new ATOM 0 HA THR A 75 25.721 -4.303 13.450 1.00 43.11 H new ATOM 0 HB THR A 75 26.111 -6.514 12.558 1.00 63.11 H new ATOM 0 HG1 THR A 75 28.105 -6.957 11.405 1.00 13.12 H new ATOM 0 HG21 THR A 75 26.290 -6.047 10.143 1.00 71.34 H new ATOM 0 HG22 THR A 75 25.246 -4.865 10.967 1.00 71.34 H new ATOM 0 HG23 THR A 75 26.906 -4.418 10.509 1.00 71.34 H new ATOM 1109 N LYS A 76 28.657 -4.708 14.748 1.00 11.51 N ATOM 1110 CA LYS A 76 29.388 -5.114 15.942 1.00 2.32 C ATOM 1111 C LYS A 76 28.595 -4.785 17.204 1.00 63.31 C ATOM 1112 O LYS A 76 28.580 -5.562 18.159 1.00 10.13 O ATOM 1113 CB LYS A 76 30.752 -4.422 15.990 1.00 70.33 C ATOM 1114 CG LYS A 76 30.664 -2.908 16.068 1.00 30.31 C ATOM 1115 CD LYS A 76 30.701 -2.420 17.506 1.00 0.13 C ATOM 1116 CE LYS A 76 32.127 -2.183 17.978 1.00 10.32 C ATOM 1117 NZ LYS A 76 32.193 -1.153 19.052 1.00 64.52 N1+ ATOM 0 H LYS A 76 29.191 -4.123 14.106 1.00 11.51 H new ATOM 0 HA LYS A 76 29.536 -6.193 15.897 1.00 2.32 H new ATOM 0 HB2 LYS A 76 31.307 -4.790 16.853 1.00 70.33 H new ATOM 0 HB3 LYS A 76 31.322 -4.699 15.103 1.00 70.33 H new ATOM 0 HG2 LYS A 76 31.490 -2.466 15.512 1.00 30.31 H new ATOM 0 HG3 LYS A 76 29.743 -2.571 15.592 1.00 30.31 H new ATOM 0 HD2 LYS A 76 30.130 -1.496 17.592 1.00 0.13 H new ATOM 0 HD3 LYS A 76 30.220 -3.154 18.153 1.00 0.13 H new ATOM 0 HE2 LYS A 76 32.548 -3.119 18.346 1.00 10.32 H new ATOM 0 HE3 LYS A 76 32.741 -1.868 17.134 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 33.182 -1.021 19.346 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 31.815 -0.253 18.693 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 31.628 -1.465 19.868 1.00 64.52 H new ATOM 1131 N SER A 77 27.938 -3.631 17.200 1.00 12.32 N ATOM 1132 CA SER A 77 27.145 -3.199 18.345 1.00 40.54 C ATOM 1133 C SER A 77 25.703 -3.683 18.221 1.00 72.24 C ATOM 1134 O SER A 77 24.939 -3.646 19.185 1.00 3.31 O ATOM 1135 CB SER A 77 27.173 -1.673 18.465 1.00 24.54 C ATOM 1136 OG SER A 77 27.152 -1.061 17.187 1.00 62.42 O ATOM 0 H SER A 77 27.939 -2.978 16.417 1.00 12.32 H new ATOM 0 HA SER A 77 27.581 -3.636 19.243 1.00 40.54 H new ATOM 0 HB2 SER A 77 26.316 -1.335 19.048 1.00 24.54 H new ATOM 0 HB3 SER A 77 28.068 -1.364 19.005 1.00 24.54 H new ATOM 0 HG SER A 77 27.169 -0.087 17.291 1.00 62.42 H new ATOM 1142 N TYR A 78 25.340 -4.139 17.028 1.00 33.14 N ATOM 1143 CA TYR A 78 23.990 -4.630 16.775 1.00 43.04 C ATOM 1144 C TYR A 78 23.808 -6.036 17.338 1.00 22.45 C ATOM 1145 O TYR A 78 22.759 -6.364 17.895 1.00 1.02 O ATOM 1146 CB TYR A 78 23.695 -4.626 15.275 1.00 4.32 C ATOM 1147 CG TYR A 78 22.373 -5.266 14.915 1.00 61.13 C ATOM 1148 CD1 TYR A 78 21.187 -4.819 15.485 1.00 50.52 C ATOM 1149 CD2 TYR A 78 22.310 -6.316 14.009 1.00 52.42 C ATOM 1150 CE1 TYR A 78 19.975 -5.400 15.160 1.00 70.55 C ATOM 1151 CE2 TYR A 78 21.103 -6.902 13.677 1.00 61.52 C ATOM 1152 CZ TYR A 78 19.940 -6.441 14.256 1.00 70.05 C ATOM 1153 OH TYR A 78 18.736 -7.022 13.930 1.00 34.34 O ATOM 0 H TYR A 78 25.961 -4.179 16.220 1.00 33.14 H new ATOM 0 HA TYR A 78 23.288 -3.964 17.277 1.00 43.04 H new ATOM 0 HB2 TYR A 78 23.701 -3.597 14.915 1.00 4.32 H new ATOM 0 HB3 TYR A 78 24.496 -5.150 14.754 1.00 4.32 H new ATOM 0 HD1 TYR A 78 21.212 -4.004 16.194 1.00 50.52 H new ATOM 0 HD2 TYR A 78 23.220 -6.681 13.556 1.00 52.42 H new ATOM 0 HE1 TYR A 78 19.062 -5.041 15.611 1.00 70.55 H new ATOM 0 HE2 TYR A 78 21.071 -7.716 12.968 1.00 61.52 H new ATOM 0 HH TYR A 78 18.885 -7.740 13.279 1.00 34.34 H new ATOM 1163 N TRP A 79 24.836 -6.864 17.188 1.00 42.11 N ATOM 1164 CA TRP A 79 24.790 -8.236 17.680 1.00 34.33 C ATOM 1165 C TRP A 79 25.032 -8.281 19.185 1.00 45.25 C ATOM 1166 O TRP A 79 24.624 -9.226 19.861 1.00 50.44 O ATOM 1167 CB TRP A 79 25.831 -9.093 16.959 1.00 11.24 C ATOM 1168 CG TRP A 79 27.224 -8.900 17.478 1.00 33.12 C ATOM 1169 CD1 TRP A 79 28.203 -8.122 16.928 1.00 13.21 C ATOM 1170 CD2 TRP A 79 27.793 -9.498 18.648 1.00 23.44 C ATOM 1171 NE1 TRP A 79 29.345 -8.199 17.687 1.00 13.32 N ATOM 1172 CE2 TRP A 79 29.120 -9.036 18.748 1.00 40.35 C ATOM 1173 CE3 TRP A 79 27.310 -10.375 19.622 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 29.967 -9.425 19.782 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 28.152 -10.760 20.647 1.00 22.15 C ATOM 1176 CH2 TRP A 79 29.468 -10.285 20.722 1.00 55.42 C ATOM 0 H TRP A 79 25.711 -6.609 16.730 1.00 42.11 H new ATOM 0 HA TRP A 79 23.797 -8.636 17.477 1.00 34.33 H new ATOM 0 HB2 TRP A 79 25.557 -10.143 17.057 1.00 11.24 H new ATOM 0 HB3 TRP A 79 25.812 -8.857 15.895 1.00 11.24 H new ATOM 0 HD1 TRP A 79 28.095 -7.533 16.029 1.00 13.21 H new ATOM 0 HE1 TRP A 79 30.220 -7.712 17.492 1.00 13.32 H new ATOM 0 HE3 TRP A 79 26.297 -10.745 19.574 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 30.982 -9.061 19.840 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 27.789 -11.439 21.404 1.00 22.15 H new ATOM 0 HH2 TRP A 79 30.101 -10.604 21.537 1.00 55.42 H new ATOM 1187 N LYS A 80 25.697 -7.256 19.706 1.00 50.41 N ATOM 1188 CA LYS A 80 25.991 -7.178 21.131 1.00 54.32 C ATOM 1189 C LYS A 80 24.763 -6.733 21.917 1.00 54.00 C ATOM 1190 O LYS A 80 24.689 -6.918 23.132 1.00 50.04 O ATOM 1191 CB LYS A 80 27.148 -6.208 21.382 1.00 61.21 C ATOM 1192 CG LYS A 80 26.706 -4.768 21.574 1.00 73.40 C ATOM 1193 CD LYS A 80 26.557 -4.423 23.046 1.00 71.12 C ATOM 1194 CE LYS A 80 27.870 -3.939 23.640 1.00 24.41 C ATOM 1195 NZ LYS A 80 28.081 -2.484 23.408 1.00 51.34 N1+ ATOM 0 H LYS A 80 26.043 -6.466 19.161 1.00 50.41 H new ATOM 0 HA LYS A 80 26.278 -8.173 21.471 1.00 54.32 H new ATOM 0 HB2 LYS A 80 27.696 -6.532 22.267 1.00 61.21 H new ATOM 0 HB3 LYS A 80 27.841 -6.257 20.542 1.00 61.21 H new ATOM 0 HG2 LYS A 80 27.433 -4.099 21.114 1.00 73.40 H new ATOM 0 HG3 LYS A 80 25.757 -4.607 21.063 1.00 73.40 H new ATOM 0 HD2 LYS A 80 25.796 -3.651 23.165 1.00 71.12 H new ATOM 0 HD3 LYS A 80 26.210 -5.300 23.593 1.00 71.12 H new ATOM 0 HE2 LYS A 80 27.880 -4.141 24.711 1.00 24.41 H new ATOM 0 HE3 LYS A 80 28.695 -4.500 23.202 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 28.987 -2.193 23.828 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 28.097 -2.294 22.386 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 27.307 -1.946 23.848 1.00 51.34 H new ATOM 1209 N ALA A 81 23.799 -6.145 21.216 1.00 25.51 N ATOM 1210 CA ALA A 81 22.571 -5.676 21.847 1.00 23.43 C ATOM 1211 C ALA A 81 21.526 -6.785 21.906 1.00 74.11 C ATOM 1212 O ALA A 81 20.881 -6.990 22.936 1.00 11.21 O ATOM 1213 CB ALA A 81 22.021 -4.468 21.103 1.00 4.11 C ATOM 0 H ALA A 81 23.845 -5.982 20.210 1.00 25.51 H new ATOM 0 HA ALA A 81 22.808 -5.381 22.869 1.00 23.43 H new ATOM 0 HB1 ALA A 81 21.104 -4.130 21.586 1.00 4.11 H new ATOM 0 HB2 ALA A 81 22.757 -3.665 21.119 1.00 4.11 H new ATOM 0 HB3 ALA A 81 21.807 -4.743 20.070 1.00 4.11 H new ATOM 1219 N LEU A 82 21.363 -7.497 20.796 1.00 72.45 N ATOM 1220 CA LEU A 82 20.395 -8.585 20.721 1.00 71.44 C ATOM 1221 C LEU A 82 21.077 -9.936 20.916 1.00 25.04 C ATOM 1222 O LEU A 82 20.453 -10.985 20.767 1.00 54.03 O ATOM 1223 CB LEU A 82 19.669 -8.557 19.374 1.00 34.13 C ATOM 1224 CG LEU A 82 18.883 -7.283 19.063 1.00 12.53 C ATOM 1225 CD1 LEU A 82 18.133 -6.804 20.296 1.00 33.35 C ATOM 1226 CD2 LEU A 82 19.812 -6.195 18.545 1.00 33.50 C ATOM 0 H LEU A 82 21.889 -7.340 19.936 1.00 72.45 H new ATOM 0 HA LEU A 82 19.668 -8.447 21.521 1.00 71.44 H new ATOM 0 HB2 LEU A 82 20.405 -8.708 18.584 1.00 34.13 H new ATOM 0 HB3 LEU A 82 18.982 -9.402 19.336 1.00 34.13 H new ATOM 0 HG LEU A 82 18.154 -7.510 18.285 1.00 12.53 H new ATOM 0 HD11 LEU A 82 17.579 -5.896 20.055 1.00 33.35 H new ATOM 0 HD12 LEU A 82 17.438 -7.577 20.622 1.00 33.35 H new ATOM 0 HD13 LEU A 82 18.844 -6.594 21.096 1.00 33.35 H new ATOM 0 HD21 LEU A 82 19.235 -5.296 18.329 1.00 33.50 H new ATOM 0 HD22 LEU A 82 20.565 -5.970 19.300 1.00 33.50 H new ATOM 0 HD23 LEU A 82 20.303 -6.539 17.634 1.00 33.50 H new ATOM 1238 N GLY A 83 22.363 -9.900 21.253 1.00 74.52 N ATOM 1239 CA GLY A 83 23.108 -11.127 21.465 1.00 61.44 C ATOM 1240 C GLY A 83 23.065 -12.047 20.261 1.00 64.05 C ATOM 1241 O GLY A 83 22.832 -13.249 20.398 1.00 12.21 O ATOM 0 H GLY A 83 22.901 -9.044 21.383 1.00 74.52 H new ATOM 0 HA2 GLY A 83 24.145 -10.883 21.695 1.00 61.44 H new ATOM 0 HA3 GLY A 83 22.703 -11.649 22.332 1.00 61.44 H new ATOM 1245 N ILE A 84 23.286 -11.483 19.078 1.00 55.22 N ATOM 1246 CA ILE A 84 23.270 -12.261 17.846 1.00 13.14 C ATOM 1247 C ILE A 84 24.660 -12.793 17.513 1.00 55.44 C ATOM 1248 O ILE A 84 25.668 -12.245 17.958 1.00 14.52 O ATOM 1249 CB ILE A 84 22.754 -11.427 16.659 1.00 32.24 C ATOM 1250 CG1 ILE A 84 21.495 -10.655 17.059 1.00 51.22 C ATOM 1251 CG2 ILE A 84 22.475 -12.323 15.462 1.00 0.21 C ATOM 1252 CD1 ILE A 84 20.347 -11.547 17.477 1.00 63.44 C ATOM 0 H ILE A 84 23.478 -10.490 18.947 1.00 55.22 H new ATOM 0 HA ILE A 84 22.593 -13.099 18.012 1.00 13.14 H new ATOM 0 HB ILE A 84 23.524 -10.709 16.378 1.00 32.24 H new ATOM 0 HG12 ILE A 84 21.738 -9.980 17.880 1.00 51.22 H new ATOM 0 HG13 ILE A 84 21.177 -10.036 16.221 1.00 51.22 H new ATOM 0 HG21 ILE A 84 22.111 -11.718 14.632 1.00 0.21 H new ATOM 0 HG22 ILE A 84 23.393 -12.831 15.166 1.00 0.21 H new ATOM 0 HG23 ILE A 84 21.721 -13.063 15.729 1.00 0.21 H new ATOM 0 HD11 ILE A 84 19.488 -10.932 17.747 1.00 63.44 H new ATOM 0 HD12 ILE A 84 20.077 -12.204 16.650 1.00 63.44 H new ATOM 0 HD13 ILE A 84 20.647 -12.148 18.335 1.00 63.44 H new ATOM 1264 N SER A 85 24.705 -13.864 16.727 1.00 21.13 N ATOM 1265 CA SER A 85 25.972 -14.471 16.336 1.00 50.52 C ATOM 1266 C SER A 85 26.936 -13.419 15.798 1.00 44.03 C ATOM 1267 O SER A 85 26.539 -12.328 15.387 1.00 31.33 O ATOM 1268 CB SER A 85 25.738 -15.553 15.279 1.00 54.22 C ATOM 1269 OG SER A 85 25.445 -16.801 15.882 1.00 53.22 O ATOM 0 H SER A 85 23.880 -14.329 16.349 1.00 21.13 H new ATOM 0 HA SER A 85 26.417 -14.927 17.221 1.00 50.52 H new ATOM 0 HB2 SER A 85 24.915 -15.258 14.628 1.00 54.22 H new ATOM 0 HB3 SER A 85 26.623 -15.649 14.650 1.00 54.22 H new ATOM 0 HG SER A 85 25.298 -17.474 15.185 1.00 53.22 H new ATOM 1365 N GLU A 92 29.656 -1.563 3.453 1.00 73.32 N ATOM 1366 CA GLU A 92 29.077 -0.235 3.283 1.00 2.25 C ATOM 1367 C GLU A 92 28.627 -0.018 1.842 1.00 25.30 C ATOM 1368 O GLU A 92 29.207 -0.573 0.908 1.00 13.50 O ATOM 1369 CB GLU A 92 30.090 0.841 3.679 1.00 43.31 C ATOM 1370 CG GLU A 92 31.061 0.395 4.760 1.00 22.11 C ATOM 1371 CD GLU A 92 32.050 1.479 5.139 1.00 21.31 C ATOM 1372 OE1 GLU A 92 32.307 2.369 4.302 1.00 61.05 O ATOM 1373 OE2 GLU A 92 32.569 1.437 6.275 1.00 32.20 O1- ATOM 0 HA GLU A 92 28.205 -0.161 3.933 1.00 2.25 H new ATOM 0 HB2 GLU A 92 30.655 1.139 2.796 1.00 43.31 H new ATOM 0 HB3 GLU A 92 29.553 1.723 4.027 1.00 43.31 H new ATOM 0 HG2 GLU A 92 30.500 0.094 5.645 1.00 22.11 H new ATOM 0 HG3 GLU A 92 31.606 -0.484 4.414 1.00 22.11 H new ATOM 1380 N VAL A 93 27.587 0.793 1.668 1.00 70.21 N ATOM 1381 CA VAL A 93 27.058 1.085 0.341 1.00 61.32 C ATOM 1382 C VAL A 93 27.719 2.323 -0.254 1.00 43.24 C ATOM 1383 O VAL A 93 27.485 3.444 0.200 1.00 3.54 O ATOM 1384 CB VAL A 93 25.533 1.298 0.380 1.00 40.32 C ATOM 1385 CG1 VAL A 93 25.007 1.645 -1.005 1.00 24.13 C ATOM 1386 CG2 VAL A 93 24.837 0.062 0.928 1.00 41.15 C ATOM 0 H VAL A 93 27.095 1.259 2.430 1.00 70.21 H new ATOM 0 HA VAL A 93 27.281 0.222 -0.286 1.00 61.32 H new ATOM 0 HB VAL A 93 25.317 2.134 1.045 1.00 40.32 H new ATOM 0 HG11 VAL A 93 23.928 1.792 -0.958 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.483 2.561 -1.356 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.233 0.831 -1.694 1.00 24.13 H new ATOM 0 HG21 VAL A 93 23.760 0.230 0.949 1.00 41.15 H new ATOM 0 HG22 VAL A 93 25.059 -0.793 0.290 1.00 41.15 H new ATOM 0 HG23 VAL A 93 25.192 -0.138 1.939 1.00 41.15 H new ATOM 1396 N VAL A 94 28.545 2.114 -1.274 1.00 55.22 N ATOM 1397 CA VAL A 94 29.238 3.213 -1.934 1.00 54.44 C ATOM 1398 C VAL A 94 29.051 3.154 -3.446 1.00 72.33 C ATOM 1399 O VAL A 94 29.603 2.281 -4.117 1.00 31.22 O ATOM 1400 CB VAL A 94 30.745 3.199 -1.614 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.439 4.392 -2.254 1.00 44.32 C ATOM 1402 CG2 VAL A 94 30.970 3.187 -0.109 1.00 32.44 C ATOM 0 H VAL A 94 28.750 1.193 -1.661 1.00 55.22 H new ATOM 0 HA VAL A 94 28.801 4.136 -1.553 1.00 54.44 H new ATOM 0 HB VAL A 94 31.178 2.290 -2.031 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.502 4.365 -2.017 1.00 44.32 H new ATOM 0 HG12 VAL A 94 31.307 4.352 -3.335 1.00 44.32 H new ATOM 0 HG13 VAL A 94 31.005 5.315 -1.869 1.00 44.32 H new ATOM 0 HG21 VAL A 94 32.040 3.177 0.099 1.00 32.44 H new ATOM 0 HG22 VAL A 94 30.523 4.077 0.333 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.509 2.298 0.321 1.00 32.44 H new ATOM 1412 N PHE A 95 28.269 4.087 -3.977 1.00 74.21 N ATOM 1413 CA PHE A 95 28.008 4.141 -5.410 1.00 3.42 C ATOM 1414 C PHE A 95 28.213 5.555 -5.948 1.00 14.12 C ATOM 1415 O PHE A 95 27.890 6.539 -5.281 1.00 41.52 O ATOM 1416 CB PHE A 95 26.582 3.672 -5.709 1.00 1.11 C ATOM 1417 CG PHE A 95 25.529 4.448 -4.971 1.00 21.10 C ATOM 1418 CD1 PHE A 95 25.067 5.657 -5.465 1.00 44.02 C ATOM 1419 CD2 PHE A 95 25.001 3.967 -3.783 1.00 70.40 C ATOM 1420 CE1 PHE A 95 24.098 6.373 -4.786 1.00 24.42 C ATOM 1421 CE2 PHE A 95 24.032 4.678 -3.100 1.00 25.12 C ATOM 1422 CZ PHE A 95 23.579 5.883 -3.604 1.00 43.33 C ATOM 0 H PHE A 95 27.805 4.817 -3.436 1.00 74.21 H new ATOM 0 HA PHE A 95 28.714 3.476 -5.907 1.00 3.42 H new ATOM 0 HB2 PHE A 95 26.398 3.754 -6.780 1.00 1.11 H new ATOM 0 HB3 PHE A 95 26.493 2.617 -5.450 1.00 1.11 H new ATOM 0 HD1 PHE A 95 25.468 6.044 -6.390 1.00 44.02 H new ATOM 0 HD2 PHE A 95 25.351 3.025 -3.386 1.00 70.40 H new ATOM 0 HE1 PHE A 95 23.747 7.315 -5.180 1.00 24.42 H new ATOM 0 HE2 PHE A 95 23.630 4.293 -2.175 1.00 25.12 H new ATOM 0 HZ PHE A 95 22.821 6.440 -3.074 1.00 43.33 H new ATOM 1432 N THR A 96 28.753 5.648 -7.160 1.00 44.40 N ATOM 1433 CA THR A 96 29.003 6.939 -7.787 1.00 34.31 C ATOM 1434 C THR A 96 27.997 7.215 -8.898 1.00 25.23 C ATOM 1435 O THR A 96 27.603 6.309 -9.632 1.00 11.30 O ATOM 1436 CB THR A 96 30.427 7.014 -8.370 1.00 71.34 C ATOM 1437 OG1 THR A 96 30.594 8.234 -9.101 1.00 53.43 O ATOM 1438 CG2 THR A 96 30.701 5.828 -9.282 1.00 41.12 C ATOM 0 H THR A 96 29.025 4.844 -7.726 1.00 44.40 H new ATOM 0 HA THR A 96 28.896 7.694 -7.008 1.00 34.31 H new ATOM 0 HB THR A 96 31.136 6.987 -7.543 1.00 71.34 H new ATOM 0 HG1 THR A 96 31.502 8.274 -9.467 1.00 53.43 H new ATOM 0 HG21 THR A 96 31.712 5.903 -9.682 1.00 41.12 H new ATOM 0 HG22 THR A 96 30.602 4.902 -8.715 1.00 41.12 H new ATOM 0 HG23 THR A 96 29.985 5.828 -10.104 1.00 41.12 H new ATOM 1446 N ALA A 97 27.584 8.472 -9.017 1.00 2.00 N ATOM 1447 CA ALA A 97 26.625 8.868 -10.042 1.00 54.14 C ATOM 1448 C ALA A 97 27.308 9.052 -11.392 1.00 75.12 C ATOM 1449 O ALA A 97 28.519 9.256 -11.462 1.00 3.52 O ATOM 1450 CB ALA A 97 25.911 10.148 -9.631 1.00 3.33 C ATOM 0 H ALA A 97 27.898 9.234 -8.416 1.00 2.00 H new ATOM 0 HA ALA A 97 25.889 8.070 -10.143 1.00 54.14 H new ATOM 0 HB1 ALA A 97 25.198 10.432 -10.405 1.00 3.33 H new ATOM 0 HB2 ALA A 97 25.381 9.984 -8.693 1.00 3.33 H new ATOM 0 HB3 ALA A 97 26.642 10.946 -9.500 1.00 3.33 H new ATOM 1562 N TYR A 105 16.901 4.911 -4.665 1.00 3.31 N ATOM 1563 CA TYR A 105 17.764 5.774 -3.866 1.00 51.11 C ATOM 1564 C TYR A 105 17.780 5.329 -2.408 1.00 4.42 C ATOM 1565 O TYR A 105 18.019 6.130 -1.503 1.00 2.22 O ATOM 1566 CB TYR A 105 17.296 7.227 -3.963 1.00 3.13 C ATOM 1567 CG TYR A 105 16.999 7.675 -5.377 1.00 74.50 C ATOM 1568 CD1 TYR A 105 18.027 7.963 -6.265 1.00 22.34 C ATOM 1569 CD2 TYR A 105 15.691 7.812 -5.822 1.00 12.00 C ATOM 1570 CE1 TYR A 105 17.761 8.373 -7.557 1.00 51.10 C ATOM 1571 CE2 TYR A 105 15.414 8.221 -7.113 1.00 50.15 C ATOM 1572 CZ TYR A 105 16.453 8.500 -7.976 1.00 33.34 C ATOM 1573 OH TYR A 105 16.182 8.908 -9.262 1.00 22.10 O ATOM 0 HA TYR A 105 18.777 5.698 -4.260 1.00 51.11 H new ATOM 0 HB2 TYR A 105 16.400 7.353 -3.355 1.00 3.13 H new ATOM 0 HB3 TYR A 105 18.062 7.876 -3.539 1.00 3.13 H new ATOM 0 HD1 TYR A 105 19.052 7.865 -5.940 1.00 22.34 H new ATOM 0 HD2 TYR A 105 14.876 7.595 -5.148 1.00 12.00 H new ATOM 0 HE1 TYR A 105 18.572 8.593 -8.235 1.00 51.10 H new ATOM 0 HE2 TYR A 105 14.391 8.321 -7.444 1.00 50.15 H new ATOM 0 HH TYR A 105 15.212 8.945 -9.396 1.00 22.10 H new ATOM 1583 N THR A 106 17.525 4.044 -2.185 1.00 40.24 N ATOM 1584 CA THR A 106 17.511 3.489 -0.837 1.00 32.41 C ATOM 1585 C THR A 106 18.687 2.547 -0.617 1.00 71.02 C ATOM 1586 O THR A 106 19.070 1.796 -1.514 1.00 75.23 O ATOM 1587 CB THR A 106 16.200 2.731 -0.556 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.085 3.623 -0.660 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.224 2.103 0.830 1.00 12.31 C ATOM 0 H THR A 106 17.325 3.367 -2.921 1.00 40.24 H new ATOM 0 HA THR A 106 17.591 4.330 -0.148 1.00 32.41 H new ATOM 0 HB THR A 106 16.100 1.937 -1.297 1.00 75.32 H new ATOM 0 HG1 THR A 106 14.461 3.454 0.077 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.288 1.573 1.006 1.00 12.31 H new ATOM 0 HG22 THR A 106 17.056 1.402 0.897 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.346 2.884 1.581 1.00 12.31 H new ATOM 1597 N ILE A 107 19.258 2.589 0.583 1.00 54.05 N ATOM 1598 CA ILE A 107 20.390 1.737 0.922 1.00 74.20 C ATOM 1599 C ILE A 107 19.923 0.378 1.432 1.00 63.32 C ATOM 1600 O ILE A 107 19.347 0.275 2.514 1.00 31.52 O ATOM 1601 CB ILE A 107 21.290 2.391 1.986 1.00 44.44 C ATOM 1602 CG1 ILE A 107 21.904 3.683 1.443 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.379 1.425 2.427 1.00 44.24 C ATOM 1604 CD1 ILE A 107 21.148 4.928 1.847 1.00 32.11 C ATOM 0 H ILE A 107 18.954 3.205 1.337 1.00 54.05 H new ATOM 0 HA ILE A 107 20.966 1.600 0.007 1.00 74.20 H new ATOM 0 HB ILE A 107 20.679 2.638 2.854 1.00 44.44 H new ATOM 0 HG12 ILE A 107 22.933 3.762 1.795 1.00 42.14 H new ATOM 0 HG13 ILE A 107 21.942 3.628 0.355 1.00 42.14 H new ATOM 0 HG21 ILE A 107 23.006 1.903 3.179 1.00 44.24 H new ATOM 0 HG22 ILE A 107 21.922 0.530 2.850 1.00 44.24 H new ATOM 0 HG23 ILE A 107 22.990 1.148 1.568 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.640 5.805 1.427 1.00 32.11 H new ATOM 0 HD12 ILE A 107 20.126 4.871 1.472 1.00 32.11 H new ATOM 0 HD13 ILE A 107 21.132 5.007 2.934 1.00 32.11 H new ATOM 1616 N ALA A 108 20.177 -0.663 0.645 1.00 21.23 N ATOM 1617 CA ALA A 108 19.785 -2.016 1.020 1.00 2.35 C ATOM 1618 C ALA A 108 20.909 -2.726 1.769 1.00 63.45 C ATOM 1619 O ALA A 108 21.951 -3.039 1.192 1.00 51.45 O ATOM 1620 CB ALA A 108 19.389 -2.811 -0.215 1.00 32.14 C ATOM 0 H ALA A 108 20.652 -0.595 -0.255 1.00 21.23 H new ATOM 0 HA ALA A 108 18.926 -1.947 1.687 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.098 -3.820 0.079 1.00 32.14 H new ATOM 0 HB2 ALA A 108 18.550 -2.321 -0.709 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.234 -2.863 -0.901 1.00 32.14 H new ATOM 1626 N ALA A 109 20.690 -2.974 3.056 1.00 63.22 N ATOM 1627 CA ALA A 109 21.684 -3.648 3.883 1.00 54.44 C ATOM 1628 C ALA A 109 21.088 -4.873 4.567 1.00 42.04 C ATOM 1629 O ALA A 109 20.261 -4.751 5.470 1.00 35.23 O ATOM 1630 CB ALA A 109 22.250 -2.685 4.917 1.00 2.42 C ATOM 0 H ALA A 109 19.834 -2.719 3.548 1.00 63.22 H new ATOM 0 HA ALA A 109 22.493 -3.984 3.235 1.00 54.44 H new ATOM 0 HB1 ALA A 109 22.991 -3.201 5.528 1.00 2.42 H new ATOM 0 HB2 ALA A 109 22.721 -1.842 4.410 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.444 -2.321 5.555 1.00 2.42 H new ATOM 1636 N MET A 110 21.515 -6.054 4.132 1.00 0.21 N ATOM 1637 CA MET A 110 21.024 -7.302 4.704 1.00 34.20 C ATOM 1638 C MET A 110 22.075 -7.934 5.612 1.00 44.24 C ATOM 1639 O MET A 110 23.209 -8.171 5.195 1.00 31.10 O ATOM 1640 CB MET A 110 20.637 -8.280 3.594 1.00 34.11 C ATOM 1641 CG MET A 110 19.297 -7.967 2.948 1.00 44.03 C ATOM 1642 SD MET A 110 18.672 -9.332 1.949 1.00 11.42 S ATOM 1643 CE MET A 110 17.825 -10.302 3.196 1.00 12.22 C ATOM 0 H MET A 110 22.200 -6.173 3.385 1.00 0.21 H new ATOM 0 HA MET A 110 20.141 -7.076 5.302 1.00 34.20 H new ATOM 0 HB2 MET A 110 21.412 -8.271 2.827 1.00 34.11 H new ATOM 0 HB3 MET A 110 20.606 -9.289 4.005 1.00 34.11 H new ATOM 0 HG2 MET A 110 18.571 -7.728 3.725 1.00 44.03 H new ATOM 0 HG3 MET A 110 19.398 -7.080 2.322 1.00 44.03 H new ATOM 0 HE1 MET A 110 18.155 -11.339 3.137 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.055 -9.904 4.184 1.00 12.22 H new ATOM 0 HE3 MET A 110 16.749 -10.254 3.026 1.00 12.22 H new ATOM 1653 N LEU A 111 21.690 -8.206 6.854 1.00 51.13 N ATOM 1654 CA LEU A 111 22.599 -8.812 7.821 1.00 21.14 C ATOM 1655 C LEU A 111 22.594 -10.332 7.696 1.00 54.03 C ATOM 1656 O LEU A 111 21.657 -10.998 8.135 1.00 63.05 O ATOM 1657 CB LEU A 111 22.208 -8.404 9.243 1.00 12.44 C ATOM 1658 CG LEU A 111 22.099 -6.902 9.504 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.196 -6.150 8.767 1.00 71.33 C ATOM 1660 CD2 LEU A 111 20.728 -6.387 9.091 1.00 62.42 C ATOM 0 H LEU A 111 20.755 -8.017 7.215 1.00 51.13 H new ATOM 0 HA LEU A 111 23.606 -8.453 7.610 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.249 -8.864 9.481 1.00 12.44 H new ATOM 0 HB3 LEU A 111 22.941 -8.820 9.934 1.00 12.44 H new ATOM 0 HG LEU A 111 22.224 -6.729 10.573 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.102 -5.082 8.965 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.170 -6.498 9.111 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.104 -6.330 7.696 1.00 71.33 H new ATOM 0 HD21 LEU A 111 20.668 -5.316 9.284 1.00 62.42 H new ATOM 0 HD22 LEU A 111 20.574 -6.573 8.028 1.00 62.42 H new ATOM 0 HD23 LEU A 111 19.958 -6.902 9.665 1.00 62.42 H new ATOM 1672 N SER A 112 23.649 -10.875 7.095 1.00 54.12 N ATOM 1673 CA SER A 112 23.765 -12.317 6.911 1.00 12.24 C ATOM 1674 C SER A 112 23.982 -13.020 8.248 1.00 22.43 C ATOM 1675 O SER A 112 24.397 -12.414 9.236 1.00 1.40 O ATOM 1676 CB SER A 112 24.918 -12.639 5.959 1.00 43.45 C ATOM 1677 OG SER A 112 24.461 -12.749 4.623 1.00 13.22 O ATOM 0 H SER A 112 24.435 -10.338 6.728 1.00 54.12 H new ATOM 0 HA SER A 112 22.833 -12.680 6.477 1.00 12.24 H new ATOM 0 HB2 SER A 112 25.676 -11.859 6.024 1.00 43.45 H new ATOM 0 HB3 SER A 112 25.394 -13.572 6.262 1.00 43.45 H new ATOM 0 HG SER A 112 25.217 -12.953 4.034 1.00 13.22 H new