USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 41:sc= 0.116 USER MOD Single : A 21 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.12) USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= -0.0252 (180deg=-0.222) USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= -1.22 (180deg=-2.47!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 31 THR OG1 : rot -36:sc= -1.05 USER MOD Single : A 33 SER OG : rot -121:sc= -0.467 USER MOD Single : A 40 ASN : amide:sc= -1.8! C(o=-1.8!,f=-4.9!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0587 X(o=-0.059,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.709 K(o=0.71,f=-0.13) USER MOD Single : A 71 THR OG1 : rot 110:sc= -0.54 USER MOD Single : A 77 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.4!) USER MOD Single : A 80 LYS NZ :NH3+ 144:sc= -0.0462 (180deg=-0.185) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00432) USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 8 7.463 11.356 -6.536 1.00 71.21 N ATOM 84 CA ASP A 8 6.057 11.588 -6.847 1.00 43.23 C ATOM 85 C ASP A 8 5.499 12.737 -6.013 1.00 72.12 C ATOM 86 O ASP A 8 4.288 12.955 -5.973 1.00 5.23 O ATOM 87 CB ASP A 8 5.241 10.318 -6.600 1.00 45.31 C ATOM 88 CG ASP A 8 5.462 9.271 -7.674 1.00 35.33 C ATOM 89 OD1 ASP A 8 6.605 9.153 -8.162 1.00 54.52 O ATOM 90 OD2 ASP A 8 4.490 8.569 -8.026 1.00 64.40 O ATOM 0 HA ASP A 8 5.983 11.858 -7.900 1.00 43.23 H new ATOM 0 HB2 ASP A 8 5.508 9.901 -5.629 1.00 45.31 H new ATOM 0 HB3 ASP A 8 4.182 10.572 -6.557 1.00 45.31 H new ATOM 95 N GLU A 9 6.389 13.467 -5.349 1.00 23.33 N ATOM 96 CA GLU A 9 5.984 14.592 -4.514 1.00 70.40 C ATOM 97 C GLU A 9 6.281 15.918 -5.207 1.00 41.21 C ATOM 98 O GLU A 9 5.621 16.926 -4.951 1.00 23.24 O ATOM 99 CB GLU A 9 6.701 14.538 -3.163 1.00 71.53 C ATOM 100 CG GLU A 9 6.001 13.662 -2.138 1.00 24.34 C ATOM 101 CD GLU A 9 4.824 14.357 -1.483 1.00 13.13 C ATOM 102 OE1 GLU A 9 5.045 15.116 -0.516 1.00 34.42 O ATOM 103 OE2 GLU A 9 3.681 14.142 -1.938 1.00 53.51 O ATOM 0 H GLU A 9 7.395 13.300 -5.373 1.00 23.33 H new ATOM 0 HA GLU A 9 4.909 14.520 -4.349 1.00 70.40 H new ATOM 0 HB2 GLU A 9 7.715 14.167 -3.314 1.00 71.53 H new ATOM 0 HB3 GLU A 9 6.787 15.549 -2.766 1.00 71.53 H new ATOM 0 HG2 GLU A 9 5.655 12.749 -2.622 1.00 24.34 H new ATOM 0 HG3 GLU A 9 6.716 13.365 -1.371 1.00 24.34 H new ATOM 110 N ILE A 10 7.278 15.910 -6.085 1.00 61.23 N ATOM 111 CA ILE A 10 7.662 17.111 -6.816 1.00 4.34 C ATOM 112 C ILE A 10 6.505 17.635 -7.659 1.00 44.44 C ATOM 113 O ILE A 10 6.098 18.790 -7.526 1.00 25.22 O ATOM 114 CB ILE A 10 8.873 16.851 -7.731 1.00 25.24 C ATOM 115 CG1 ILE A 10 10.066 16.360 -6.907 1.00 42.43 C ATOM 116 CG2 ILE A 10 9.237 18.112 -8.500 1.00 71.12 C ATOM 117 CD1 ILE A 10 10.908 15.326 -7.620 1.00 62.34 C ATOM 0 H ILE A 10 7.835 15.085 -6.307 1.00 61.23 H new ATOM 0 HA ILE A 10 7.934 17.859 -6.072 1.00 4.34 H new ATOM 0 HB ILE A 10 8.607 16.075 -8.449 1.00 25.24 H new ATOM 0 HG12 ILE A 10 10.694 17.213 -6.648 1.00 42.43 H new ATOM 0 HG13 ILE A 10 9.701 15.937 -5.971 1.00 42.43 H new ATOM 0 HG21 ILE A 10 10.095 17.912 -9.142 1.00 71.12 H new ATOM 0 HG22 ILE A 10 8.390 18.422 -9.112 1.00 71.12 H new ATOM 0 HG23 ILE A 10 9.487 18.907 -7.798 1.00 71.12 H new ATOM 0 HD11 ILE A 10 11.735 15.024 -6.977 1.00 62.34 H new ATOM 0 HD12 ILE A 10 10.294 14.456 -7.855 1.00 62.34 H new ATOM 0 HD13 ILE A 10 11.303 15.751 -8.543 1.00 62.34 H new ATOM 129 N PHE A 11 5.978 16.779 -8.528 1.00 32.35 N ATOM 130 CA PHE A 11 4.866 17.155 -9.393 1.00 62.42 C ATOM 131 C PHE A 11 3.584 17.332 -8.586 1.00 33.53 C ATOM 132 O PHE A 11 2.736 18.160 -8.919 1.00 65.14 O ATOM 133 CB PHE A 11 4.657 16.097 -10.479 1.00 31.34 C ATOM 134 CG PHE A 11 3.786 14.954 -10.042 1.00 31.33 C ATOM 135 CD1 PHE A 11 4.269 13.991 -9.171 1.00 22.34 C ATOM 136 CD2 PHE A 11 2.484 14.843 -10.502 1.00 33.43 C ATOM 137 CE1 PHE A 11 3.470 12.938 -8.768 1.00 30.33 C ATOM 138 CE2 PHE A 11 1.680 13.792 -10.102 1.00 35.21 C ATOM 139 CZ PHE A 11 2.173 12.839 -9.233 1.00 22.31 C ATOM 0 H PHE A 11 6.303 15.820 -8.652 1.00 32.35 H new ATOM 0 HA PHE A 11 5.111 18.107 -9.865 1.00 62.42 H new ATOM 0 HB2 PHE A 11 4.211 16.569 -11.354 1.00 31.34 H new ATOM 0 HB3 PHE A 11 5.627 15.707 -10.787 1.00 31.34 H new ATOM 0 HD1 PHE A 11 5.282 14.064 -8.803 1.00 22.34 H new ATOM 0 HD2 PHE A 11 2.093 15.586 -11.181 1.00 33.43 H new ATOM 0 HE1 PHE A 11 3.859 12.193 -8.090 1.00 30.33 H new ATOM 0 HE2 PHE A 11 0.667 13.716 -10.469 1.00 35.21 H new ATOM 0 HZ PHE A 11 1.546 12.018 -8.918 1.00 22.31 H new ATOM 149 N SER A 12 3.448 16.546 -7.522 1.00 3.32 N ATOM 150 CA SER A 12 2.268 16.612 -6.668 1.00 52.23 C ATOM 151 C SER A 12 2.199 17.950 -5.938 1.00 42.02 C ATOM 152 O SER A 12 1.151 18.594 -5.894 1.00 34.24 O ATOM 153 CB SER A 12 2.280 15.466 -5.655 1.00 60.45 C ATOM 154 OG SER A 12 1.657 15.850 -4.442 1.00 53.13 O ATOM 0 H SER A 12 4.141 15.856 -7.231 1.00 3.32 H new ATOM 0 HA SER A 12 1.386 16.518 -7.302 1.00 52.23 H new ATOM 0 HB2 SER A 12 1.765 14.601 -6.074 1.00 60.45 H new ATOM 0 HB3 SER A 12 3.308 15.161 -5.459 1.00 60.45 H new ATOM 0 HG SER A 12 1.676 15.099 -3.812 1.00 53.13 H new ATOM 160 N LYS A 13 3.325 18.363 -5.366 1.00 42.03 N ATOM 161 CA LYS A 13 3.396 19.624 -4.638 1.00 42.45 C ATOM 162 C LYS A 13 3.226 20.809 -5.584 1.00 61.25 C ATOM 163 O LYS A 13 2.487 21.749 -5.292 1.00 21.13 O ATOM 164 CB LYS A 13 4.732 19.736 -3.900 1.00 13.05 C ATOM 165 CG LYS A 13 4.978 21.106 -3.292 1.00 42.22 C ATOM 166 CD LYS A 13 6.302 21.156 -2.548 1.00 12.24 C ATOM 167 CE LYS A 13 7.476 20.909 -3.482 1.00 5.33 C ATOM 168 NZ LYS A 13 8.738 21.501 -2.955 1.00 73.23 N ATOM 0 H LYS A 13 4.202 17.842 -5.393 1.00 42.03 H new ATOM 0 HA LYS A 13 2.583 19.641 -3.912 1.00 42.45 H new ATOM 0 HB2 LYS A 13 4.765 18.986 -3.110 1.00 13.05 H new ATOM 0 HB3 LYS A 13 5.541 19.505 -4.593 1.00 13.05 H new ATOM 0 HG2 LYS A 13 4.973 21.860 -4.079 1.00 42.22 H new ATOM 0 HG3 LYS A 13 4.166 21.353 -2.608 1.00 42.22 H new ATOM 0 HD2 LYS A 13 6.415 22.129 -2.069 1.00 12.24 H new ATOM 0 HD3 LYS A 13 6.303 20.408 -1.755 1.00 12.24 H new ATOM 0 HE2 LYS A 13 7.609 19.836 -3.623 1.00 5.33 H new ATOM 0 HE3 LYS A 13 7.257 21.334 -4.461 1.00 5.33 H new ATOM 0 HZ1 LYS A 13 9.515 21.311 -3.620 1.00 73.23 H new ATOM 0 HZ2 LYS A 13 8.620 22.528 -2.845 1.00 73.23 H new ATOM 0 HZ3 LYS A 13 8.961 21.077 -2.032 1.00 73.23 H new ATOM 182 N VAL A 14 3.914 20.756 -6.721 1.00 12.31 N ATOM 183 CA VAL A 14 3.837 21.824 -7.711 1.00 75.42 C ATOM 184 C VAL A 14 2.449 21.891 -8.339 1.00 50.32 C ATOM 185 O VAL A 14 1.944 22.973 -8.639 1.00 44.43 O ATOM 186 CB VAL A 14 4.883 21.633 -8.825 1.00 23.22 C ATOM 187 CG1 VAL A 14 4.764 22.736 -9.865 1.00 12.20 C ATOM 188 CG2 VAL A 14 6.285 21.593 -8.236 1.00 45.13 C ATOM 0 H VAL A 14 4.530 19.985 -6.979 1.00 12.31 H new ATOM 0 HA VAL A 14 4.042 22.757 -7.187 1.00 75.42 H new ATOM 0 HB VAL A 14 4.693 20.680 -9.319 1.00 23.22 H new ATOM 0 HG11 VAL A 14 5.511 22.584 -10.644 1.00 12.20 H new ATOM 0 HG12 VAL A 14 3.768 22.713 -10.308 1.00 12.20 H new ATOM 0 HG13 VAL A 14 4.927 23.703 -9.390 1.00 12.20 H new ATOM 0 HG21 VAL A 14 7.012 21.457 -9.037 1.00 45.13 H new ATOM 0 HG22 VAL A 14 6.488 22.529 -7.716 1.00 45.13 H new ATOM 0 HG23 VAL A 14 6.361 20.764 -7.533 1.00 45.13 H new ATOM 198 N ARG A 15 1.837 20.728 -8.535 1.00 13.03 N ATOM 199 CA ARG A 15 0.507 20.655 -9.128 1.00 31.21 C ATOM 200 C ARG A 15 -0.542 21.238 -8.185 1.00 63.11 C ATOM 201 O ARG A 15 -1.414 21.999 -8.605 1.00 22.52 O ATOM 202 CB ARG A 15 0.155 19.205 -9.465 1.00 71.14 C ATOM 203 CG ARG A 15 -1.227 19.040 -10.075 1.00 75.14 C ATOM 204 CD ARG A 15 -1.241 19.441 -11.542 1.00 44.41 C ATOM 205 NE ARG A 15 -0.237 18.717 -12.317 1.00 5.22 N ATOM 206 CZ ARG A 15 -0.034 18.906 -13.616 1.00 1.00 C ATOM 207 NH1 ARG A 15 -0.762 19.792 -14.282 1.00 61.41 N ATOM 208 NH2 ARG A 15 0.899 18.209 -14.251 1.00 61.54 N ATOM 0 H ARG A 15 2.241 19.823 -8.292 1.00 13.03 H new ATOM 0 HA ARG A 15 0.513 21.243 -10.045 1.00 31.21 H new ATOM 0 HB2 ARG A 15 0.898 18.811 -10.158 1.00 71.14 H new ATOM 0 HB3 ARG A 15 0.216 18.605 -8.557 1.00 71.14 H new ATOM 0 HG2 ARG A 15 -1.547 18.003 -9.977 1.00 75.14 H new ATOM 0 HG3 ARG A 15 -1.944 19.648 -9.524 1.00 75.14 H new ATOM 0 HD2 ARG A 15 -2.229 19.250 -11.961 1.00 44.41 H new ATOM 0 HD3 ARG A 15 -1.061 20.513 -11.627 1.00 44.41 H new ATOM 0 HE ARG A 15 0.340 18.028 -11.834 1.00 5.22 H new ATOM 0 HH11 ARG A 15 -1.480 20.330 -13.797 1.00 61.41 H new ATOM 0 HH12 ARG A 15 -0.604 19.935 -15.279 1.00 61.41 H new ATOM 0 HH21 ARG A 15 1.461 17.527 -13.742 1.00 61.54 H new ATOM 0 HH22 ARG A 15 1.054 18.355 -15.249 1.00 61.54 H new ATOM 222 N SER A 16 -0.450 20.875 -6.910 1.00 13.34 N ATOM 223 CA SER A 16 -1.393 21.359 -5.908 1.00 74.30 C ATOM 224 C SER A 16 -1.463 22.883 -5.918 1.00 23.21 C ATOM 225 O SER A 16 -2.464 23.472 -5.511 1.00 34.03 O ATOM 226 CB SER A 16 -0.991 20.864 -4.517 1.00 51.23 C ATOM 227 OG SER A 16 -2.039 21.061 -3.583 1.00 64.44 O ATOM 0 H SER A 16 0.267 20.248 -6.546 1.00 13.34 H new ATOM 0 HA SER A 16 -2.380 20.966 -6.154 1.00 74.30 H new ATOM 0 HB2 SER A 16 -0.736 19.805 -4.564 1.00 51.23 H new ATOM 0 HB3 SER A 16 -0.098 21.393 -4.183 1.00 51.23 H new ATOM 0 HG SER A 16 -1.758 20.735 -2.702 1.00 64.44 H new ATOM 233 N ILE A 17 -0.391 23.514 -6.386 1.00 13.33 N ATOM 234 CA ILE A 17 -0.330 24.969 -6.450 1.00 12.21 C ATOM 235 C ILE A 17 -1.296 25.514 -7.497 1.00 3.32 C ATOM 236 O ILE A 17 -2.136 26.364 -7.198 1.00 45.05 O ATOM 237 CB ILE A 17 1.093 25.459 -6.776 1.00 41.01 C ATOM 238 CG1 ILE A 17 2.078 24.980 -5.708 1.00 1.24 C ATOM 239 CG2 ILE A 17 1.119 26.976 -6.886 1.00 52.23 C ATOM 240 CD1 ILE A 17 3.526 25.069 -6.137 1.00 73.43 C ATOM 0 H ILE A 17 0.446 23.041 -6.726 1.00 13.33 H new ATOM 0 HA ILE A 17 -0.617 25.341 -5.466 1.00 12.21 H new ATOM 0 HB ILE A 17 1.395 25.040 -7.736 1.00 41.01 H new ATOM 0 HG12 ILE A 17 1.938 25.573 -4.804 1.00 1.24 H new ATOM 0 HG13 ILE A 17 1.847 23.947 -5.450 1.00 1.24 H new ATOM 0 HG21 ILE A 17 2.132 27.307 -7.117 1.00 52.23 H new ATOM 0 HG22 ILE A 17 0.443 27.295 -7.680 1.00 52.23 H new ATOM 0 HG23 ILE A 17 0.801 27.415 -5.940 1.00 52.23 H new ATOM 0 HD11 ILE A 17 4.167 24.713 -5.330 1.00 73.43 H new ATOM 0 HD12 ILE A 17 3.682 24.453 -7.023 1.00 73.43 H new ATOM 0 HD13 ILE A 17 3.774 26.105 -6.367 1.00 73.43 H new ATOM 252 N ILE A 18 -1.171 25.019 -8.723 1.00 73.33 N ATOM 253 CA ILE A 18 -2.035 25.454 -9.814 1.00 30.12 C ATOM 254 C ILE A 18 -3.423 24.834 -9.696 1.00 54.33 C ATOM 255 O ILE A 18 -4.415 25.420 -10.131 1.00 42.32 O ATOM 256 CB ILE A 18 -1.437 25.089 -11.185 1.00 41.55 C ATOM 257 CG1 ILE A 18 -1.227 23.577 -11.289 1.00 43.51 C ATOM 258 CG2 ILE A 18 -0.125 25.828 -11.405 1.00 12.45 C ATOM 259 CD1 ILE A 18 -0.689 23.133 -12.631 1.00 61.22 C ATOM 0 H ILE A 18 -0.480 24.316 -8.986 1.00 73.33 H new ATOM 0 HA ILE A 18 -2.116 26.538 -9.739 1.00 30.12 H new ATOM 0 HB ILE A 18 -2.138 25.393 -11.962 1.00 41.55 H new ATOM 0 HG12 ILE A 18 -0.537 23.259 -10.507 1.00 43.51 H new ATOM 0 HG13 ILE A 18 -2.175 23.073 -11.102 1.00 43.51 H new ATOM 0 HG21 ILE A 18 0.285 25.559 -12.378 1.00 12.45 H new ATOM 0 HG22 ILE A 18 -0.303 26.903 -11.370 1.00 12.45 H new ATOM 0 HG23 ILE A 18 0.584 25.552 -10.624 1.00 12.45 H new ATOM 0 HD11 ILE A 18 -0.565 22.050 -12.633 1.00 61.22 H new ATOM 0 HD12 ILE A 18 -1.389 23.420 -13.416 1.00 61.22 H new ATOM 0 HD13 ILE A 18 0.275 23.609 -12.812 1.00 61.22 H new ATOM 271 N SER A 19 -3.487 23.646 -9.104 1.00 0.11 N ATOM 272 CA SER A 19 -4.754 22.945 -8.930 1.00 41.34 C ATOM 273 C SER A 19 -5.805 23.867 -8.319 1.00 71.33 C ATOM 274 O SER A 19 -6.999 23.718 -8.575 1.00 55.22 O ATOM 275 CB SER A 19 -4.562 21.713 -8.044 1.00 51.11 C ATOM 276 OG SER A 19 -5.551 20.734 -8.311 1.00 14.23 O ATOM 0 H SER A 19 -2.676 23.148 -8.737 1.00 0.11 H new ATOM 0 HA SER A 19 -5.103 22.626 -9.912 1.00 41.34 H new ATOM 0 HB2 SER A 19 -3.572 21.290 -8.214 1.00 51.11 H new ATOM 0 HB3 SER A 19 -4.609 22.005 -6.995 1.00 51.11 H new ATOM 0 HG SER A 19 -5.705 20.680 -9.277 1.00 14.23 H new ATOM 282 N GLU A 20 -5.350 24.818 -7.510 1.00 54.41 N ATOM 283 CA GLU A 20 -6.252 25.764 -6.861 1.00 64.45 C ATOM 284 C GLU A 20 -6.927 26.665 -7.891 1.00 35.12 C ATOM 285 O GLU A 20 -8.123 26.942 -7.798 1.00 2.05 O ATOM 286 CB GLU A 20 -5.488 26.615 -5.845 1.00 41.21 C ATOM 287 CG GLU A 20 -6.381 27.528 -5.022 1.00 54.13 C ATOM 288 CD GLU A 20 -5.593 28.455 -4.117 1.00 31.40 C ATOM 289 OE1 GLU A 20 -4.654 29.112 -4.614 1.00 74.40 O ATOM 290 OE2 GLU A 20 -5.914 28.523 -2.912 1.00 73.43 O ATOM 0 H GLU A 20 -4.364 24.954 -7.288 1.00 54.41 H new ATOM 0 HA GLU A 20 -7.023 25.195 -6.341 1.00 64.45 H new ATOM 0 HB2 GLU A 20 -4.938 25.957 -5.173 1.00 41.21 H new ATOM 0 HB3 GLU A 20 -4.751 27.221 -6.372 1.00 41.21 H new ATOM 0 HG2 GLU A 20 -7.002 28.122 -5.692 1.00 54.13 H new ATOM 0 HG3 GLU A 20 -7.055 26.922 -4.417 1.00 54.13 H new ATOM 297 N GLN A 21 -6.153 27.119 -8.871 1.00 23.42 N ATOM 298 CA GLN A 21 -6.676 27.989 -9.917 1.00 0.53 C ATOM 299 C GLN A 21 -7.304 27.173 -11.041 1.00 62.24 C ATOM 300 O GLN A 21 -8.456 27.395 -11.416 1.00 31.14 O ATOM 301 CB GLN A 21 -5.562 28.877 -10.475 1.00 54.12 C ATOM 302 CG GLN A 21 -6.016 29.781 -11.610 1.00 14.44 C ATOM 303 CD GLN A 21 -7.306 30.512 -11.293 1.00 13.22 C ATOM 304 OE1 GLN A 21 -8.239 30.526 -12.096 1.00 72.44 O ATOM 305 NE2 GLN A 21 -7.366 31.125 -10.116 1.00 51.34 N ATOM 0 H GLN A 21 -5.161 26.899 -8.962 1.00 23.42 H new ATOM 0 HA GLN A 21 -7.448 28.620 -9.477 1.00 0.53 H new ATOM 0 HB2 GLN A 21 -5.161 29.492 -9.669 1.00 54.12 H new ATOM 0 HB3 GLN A 21 -4.747 28.245 -10.829 1.00 54.12 H new ATOM 0 HG2 GLN A 21 -5.234 30.509 -11.825 1.00 14.44 H new ATOM 0 HG3 GLN A 21 -6.153 29.185 -12.512 1.00 14.44 H new ATOM 0 HE21 GLN A 21 -6.569 31.088 -9.480 1.00 51.34 H new ATOM 0 HE22 GLN A 21 -8.209 31.633 -9.848 1.00 51.34 H new ATOM 314 N LEU A 22 -6.539 26.228 -11.577 1.00 73.23 N ATOM 315 CA LEU A 22 -7.021 25.377 -12.660 1.00 45.24 C ATOM 316 C LEU A 22 -8.207 24.534 -12.205 1.00 11.04 C ATOM 317 O LEU A 22 -9.096 24.217 -12.995 1.00 12.11 O ATOM 318 CB LEU A 22 -5.896 24.468 -13.160 1.00 10.25 C ATOM 319 CG LEU A 22 -4.962 25.071 -14.209 1.00 63.12 C ATOM 320 CD1 LEU A 22 -4.373 26.381 -13.710 1.00 43.22 C ATOM 321 CD2 LEU A 22 -3.856 24.088 -14.566 1.00 3.42 C ATOM 0 H LEU A 22 -5.583 26.032 -11.280 1.00 73.23 H new ATOM 0 HA LEU A 22 -7.349 26.021 -13.476 1.00 45.24 H new ATOM 0 HB2 LEU A 22 -5.297 24.160 -12.303 1.00 10.25 H new ATOM 0 HB3 LEU A 22 -6.343 23.566 -13.577 1.00 10.25 H new ATOM 0 HG LEU A 22 -5.542 25.277 -15.109 1.00 63.12 H new ATOM 0 HD11 LEU A 22 -3.711 26.795 -14.470 1.00 43.22 H new ATOM 0 HD12 LEU A 22 -5.178 27.087 -13.506 1.00 43.22 H new ATOM 0 HD13 LEU A 22 -3.808 26.201 -12.796 1.00 43.22 H new ATOM 0 HD21 LEU A 22 -3.200 24.534 -15.314 1.00 3.42 H new ATOM 0 HD22 LEU A 22 -3.278 23.850 -13.673 1.00 3.42 H new ATOM 0 HD23 LEU A 22 -4.296 23.175 -14.967 1.00 3.42 H new ATOM 333 N ASP A 23 -8.215 24.176 -10.925 1.00 62.14 N ATOM 334 CA ASP A 23 -9.294 23.372 -10.363 1.00 1.21 C ATOM 335 C ASP A 23 -9.390 22.022 -11.067 1.00 4.13 C ATOM 336 O ASP A 23 -10.474 21.454 -11.200 1.00 0.52 O ATOM 337 CB ASP A 23 -10.625 24.116 -10.477 1.00 14.22 C ATOM 338 CG ASP A 23 -11.677 23.570 -9.531 1.00 4.02 C ATOM 339 OD1 ASP A 23 -11.471 22.463 -8.992 1.00 32.41 O ATOM 340 OD2 ASP A 23 -12.705 24.250 -9.330 1.00 32.40 O ATOM 0 H ASP A 23 -7.487 24.430 -10.258 1.00 62.14 H new ATOM 0 HA ASP A 23 -9.073 23.197 -9.310 1.00 1.21 H new ATOM 0 HB2 ASP A 23 -10.466 25.174 -10.267 1.00 14.22 H new ATOM 0 HB3 ASP A 23 -10.990 24.046 -11.502 1.00 14.22 H new ATOM 345 N LYS A 24 -8.248 21.513 -11.517 1.00 2.21 N ATOM 346 CA LYS A 24 -8.201 20.230 -12.207 1.00 72.23 C ATOM 347 C LYS A 24 -7.620 19.147 -11.304 1.00 34.32 C ATOM 348 O LYS A 24 -7.291 19.401 -10.145 1.00 71.20 O ATOM 349 CB LYS A 24 -7.367 20.345 -13.485 1.00 24.41 C ATOM 350 CG LYS A 24 -7.883 21.392 -14.457 1.00 21.25 C ATOM 351 CD LYS A 24 -8.977 20.832 -15.350 1.00 63.04 C ATOM 352 CE LYS A 24 -8.404 19.938 -16.439 1.00 24.50 C ATOM 353 NZ LYS A 24 -9.475 19.289 -17.245 1.00 22.11 N ATOM 0 H LYS A 24 -7.342 21.970 -11.416 1.00 2.21 H new ATOM 0 HA LYS A 24 -9.221 19.950 -12.470 1.00 72.23 H new ATOM 0 HB2 LYS A 24 -6.338 20.586 -13.217 1.00 24.41 H new ATOM 0 HB3 LYS A 24 -7.348 19.376 -13.984 1.00 24.41 H new ATOM 0 HG2 LYS A 24 -8.268 22.247 -13.902 1.00 21.25 H new ATOM 0 HG3 LYS A 24 -7.060 21.756 -15.072 1.00 21.25 H new ATOM 0 HD2 LYS A 24 -9.685 20.264 -14.747 1.00 63.04 H new ATOM 0 HD3 LYS A 24 -9.532 21.652 -15.806 1.00 63.04 H new ATOM 0 HE2 LYS A 24 -7.764 20.529 -17.094 1.00 24.50 H new ATOM 0 HE3 LYS A 24 -7.775 19.171 -15.986 1.00 24.50 H new ATOM 0 HZ1 LYS A 24 -9.060 18.540 -17.835 1.00 22.11 H new ATOM 0 HZ2 LYS A 24 -10.185 18.874 -16.609 1.00 22.11 H new ATOM 0 HZ3 LYS A 24 -9.929 19.999 -17.855 1.00 22.11 H new ATOM 367 N LYS A 25 -7.496 17.938 -11.842 1.00 2.14 N ATOM 368 CA LYS A 25 -6.952 16.816 -11.086 1.00 0.14 C ATOM 369 C LYS A 25 -5.509 16.534 -11.492 1.00 51.42 C ATOM 370 O LYS A 25 -5.154 16.641 -12.665 1.00 43.54 O ATOM 371 CB LYS A 25 -7.807 15.566 -11.303 1.00 35.14 C ATOM 372 CG LYS A 25 -8.956 15.436 -10.317 1.00 2.11 C ATOM 373 CD LYS A 25 -9.995 16.525 -10.525 1.00 71.21 C ATOM 374 CE LYS A 25 -10.716 16.361 -11.855 1.00 24.34 C ATOM 375 NZ LYS A 25 -10.172 17.275 -12.897 1.00 10.24 N ATOM 0 H LYS A 25 -7.765 17.710 -12.799 1.00 2.14 H new ATOM 0 HA LYS A 25 -6.968 17.081 -10.029 1.00 0.14 H new ATOM 0 HB2 LYS A 25 -8.209 15.582 -12.316 1.00 35.14 H new ATOM 0 HB3 LYS A 25 -7.172 14.684 -11.226 1.00 35.14 H new ATOM 0 HG2 LYS A 25 -9.425 14.458 -10.430 1.00 2.11 H new ATOM 0 HG3 LYS A 25 -8.571 15.489 -9.299 1.00 2.11 H new ATOM 0 HD2 LYS A 25 -10.720 16.498 -9.711 1.00 71.21 H new ATOM 0 HD3 LYS A 25 -9.512 17.502 -10.490 1.00 71.21 H new ATOM 0 HE2 LYS A 25 -10.624 15.329 -12.193 1.00 24.34 H new ATOM 0 HE3 LYS A 25 -11.779 16.558 -11.718 1.00 24.34 H new ATOM 0 HZ1 LYS A 25 -10.922 17.511 -13.578 1.00 10.24 H new ATOM 0 HZ2 LYS A 25 -9.826 18.147 -12.448 1.00 10.24 H new ATOM 0 HZ3 LYS A 25 -9.388 16.807 -13.394 1.00 10.24 H new ATOM 389 N GLU A 26 -4.683 16.173 -10.515 1.00 74.11 N ATOM 390 CA GLU A 26 -3.279 15.875 -10.773 1.00 54.43 C ATOM 391 C GLU A 26 -3.138 14.632 -11.647 1.00 14.21 C ATOM 392 O GLU A 26 -2.085 14.391 -12.237 1.00 52.53 O ATOM 393 CB GLU A 26 -2.527 15.674 -9.456 1.00 51.41 C ATOM 394 CG GLU A 26 -3.129 14.597 -8.570 1.00 22.13 C ATOM 395 CD GLU A 26 -2.572 13.218 -8.868 1.00 1.35 C ATOM 396 OE1 GLU A 26 -1.708 13.107 -9.763 1.00 14.25 O ATOM 397 OE2 GLU A 26 -3.000 12.250 -8.205 1.00 11.35 O ATOM 0 H GLU A 26 -4.962 16.080 -9.538 1.00 74.11 H new ATOM 0 HA GLU A 26 -2.846 16.722 -11.304 1.00 54.43 H new ATOM 0 HB2 GLU A 26 -1.491 15.416 -9.675 1.00 51.41 H new ATOM 0 HB3 GLU A 26 -2.512 16.616 -8.909 1.00 51.41 H new ATOM 0 HG2 GLU A 26 -2.940 14.843 -7.525 1.00 22.13 H new ATOM 0 HG3 GLU A 26 -4.211 14.585 -8.703 1.00 22.13 H new ATOM 404 N ASP A 27 -4.207 13.846 -11.724 1.00 4.15 N ATOM 405 CA ASP A 27 -4.203 12.628 -12.525 1.00 34.31 C ATOM 406 C ASP A 27 -4.563 12.931 -13.976 1.00 60.11 C ATOM 407 O ASP A 27 -4.811 12.021 -14.767 1.00 2.05 O ATOM 408 CB ASP A 27 -5.185 11.608 -11.945 1.00 52.24 C ATOM 409 CG ASP A 27 -4.545 10.717 -10.899 1.00 44.41 C ATOM 410 OD1 ASP A 27 -3.338 10.423 -11.030 1.00 34.43 O ATOM 411 OD2 ASP A 27 -5.250 10.314 -9.950 1.00 42.52 O ATOM 0 H ASP A 27 -5.086 14.031 -11.242 1.00 4.15 H new ATOM 0 HA ASP A 27 -3.197 12.208 -12.499 1.00 34.31 H new ATOM 0 HB2 ASP A 27 -6.031 12.134 -11.502 1.00 52.24 H new ATOM 0 HB3 ASP A 27 -5.581 10.990 -12.751 1.00 52.24 H new ATOM 416 N GLU A 28 -4.590 14.215 -14.318 1.00 12.31 N ATOM 417 CA GLU A 28 -4.922 14.637 -15.674 1.00 3.33 C ATOM 418 C GLU A 28 -3.748 14.400 -16.620 1.00 0.24 C ATOM 419 O GLU A 28 -3.858 14.613 -17.827 1.00 70.15 O ATOM 420 CB GLU A 28 -5.313 16.116 -15.690 1.00 12.41 C ATOM 421 CG GLU A 28 -6.773 16.363 -15.348 1.00 2.54 C ATOM 422 CD GLU A 28 -7.722 15.716 -16.337 1.00 42.25 C ATOM 423 OE1 GLU A 28 -7.730 16.136 -17.513 1.00 73.25 O ATOM 424 OE2 GLU A 28 -8.456 14.789 -15.935 1.00 41.34 O ATOM 0 H GLU A 28 -4.386 14.981 -13.676 1.00 12.31 H new ATOM 0 HA GLU A 28 -5.768 14.041 -16.016 1.00 3.33 H new ATOM 0 HB2 GLU A 28 -4.686 16.657 -14.981 1.00 12.41 H new ATOM 0 HB3 GLU A 28 -5.105 16.527 -16.678 1.00 12.41 H new ATOM 0 HG2 GLU A 28 -6.978 15.979 -14.349 1.00 2.54 H new ATOM 0 HG3 GLU A 28 -6.959 17.437 -15.321 1.00 2.54 H new ATOM 431 N ILE A 29 -2.626 13.959 -16.061 1.00 43.44 N ATOM 432 CA ILE A 29 -1.432 13.693 -16.854 1.00 71.04 C ATOM 433 C ILE A 29 -1.753 12.798 -18.047 1.00 24.24 C ATOM 434 O ILE A 29 -1.983 11.598 -17.893 1.00 22.23 O ATOM 435 CB ILE A 29 -0.331 13.027 -16.008 1.00 40.11 C ATOM 436 CG1 ILE A 29 0.072 13.939 -14.847 1.00 35.40 C ATOM 437 CG2 ILE A 29 0.876 12.698 -16.874 1.00 2.43 C ATOM 438 CD1 ILE A 29 0.567 15.298 -15.289 1.00 72.33 C ATOM 0 H ILE A 29 -2.519 13.778 -15.063 1.00 43.44 H new ATOM 0 HA ILE A 29 -1.070 14.657 -17.213 1.00 71.04 H new ATOM 0 HB ILE A 29 -0.722 12.097 -15.596 1.00 40.11 H new ATOM 0 HG12 ILE A 29 -0.784 14.071 -14.185 1.00 35.40 H new ATOM 0 HG13 ILE A 29 0.852 13.449 -14.265 1.00 35.40 H new ATOM 0 HG21 ILE A 29 1.646 12.228 -16.262 1.00 2.43 H new ATOM 0 HG22 ILE A 29 0.578 12.015 -17.670 1.00 2.43 H new ATOM 0 HG23 ILE A 29 1.271 13.615 -17.312 1.00 2.43 H new ATOM 0 HD11 ILE A 29 0.835 15.890 -14.414 1.00 72.33 H new ATOM 0 HD12 ILE A 29 1.443 15.177 -15.926 1.00 72.33 H new ATOM 0 HD13 ILE A 29 -0.219 15.808 -15.846 1.00 72.33 H new ATOM 450 N THR A 30 -1.764 13.389 -19.237 1.00 74.14 N ATOM 451 CA THR A 30 -2.056 12.646 -20.457 1.00 23.33 C ATOM 452 C THR A 30 -1.691 13.456 -21.695 1.00 40.31 C ATOM 453 O THR A 30 -1.542 14.677 -21.630 1.00 23.02 O ATOM 454 CB THR A 30 -3.543 12.253 -20.534 1.00 12.34 C ATOM 455 OG1 THR A 30 -3.805 11.562 -21.760 1.00 42.43 O ATOM 456 CG2 THR A 30 -4.433 13.484 -20.439 1.00 20.51 C ATOM 0 H THR A 30 -1.574 14.381 -19.382 1.00 74.14 H new ATOM 0 HA THR A 30 -1.450 11.740 -20.427 1.00 23.33 H new ATOM 0 HB THR A 30 -3.767 11.596 -19.693 1.00 12.34 H new ATOM 0 HG1 THR A 30 -4.752 11.314 -21.800 1.00 42.43 H new ATOM 0 HG21 THR A 30 -5.479 13.182 -20.496 1.00 20.51 H new ATOM 0 HG22 THR A 30 -4.253 13.991 -19.491 1.00 20.51 H new ATOM 0 HG23 THR A 30 -4.206 14.162 -21.262 1.00 20.51 H new ATOM 464 N THR A 31 -1.549 12.770 -22.825 1.00 51.52 N ATOM 465 CA THR A 31 -1.201 13.427 -24.079 1.00 74.11 C ATOM 466 C THR A 31 -2.426 14.068 -24.722 1.00 61.01 C ATOM 467 O THR A 31 -2.310 14.810 -25.697 1.00 43.24 O ATOM 468 CB THR A 31 -0.572 12.436 -25.076 1.00 44.01 C ATOM 469 OG1 THR A 31 -0.290 13.099 -26.314 1.00 31.21 O ATOM 470 CG2 THR A 31 -1.499 11.257 -25.326 1.00 74.31 C ATOM 0 H THR A 31 -1.670 11.760 -22.897 1.00 51.52 H new ATOM 0 HA THR A 31 -0.473 14.202 -23.839 1.00 74.11 H new ATOM 0 HB THR A 31 0.357 12.062 -24.645 1.00 44.01 H new ATOM 0 HG1 THR A 31 -0.990 13.760 -26.498 1.00 31.21 H new ATOM 0 HG21 THR A 31 -1.033 10.571 -26.033 1.00 74.31 H new ATOM 0 HG22 THR A 31 -1.688 10.737 -24.387 1.00 74.31 H new ATOM 0 HG23 THR A 31 -2.442 11.617 -25.737 1.00 74.31 H new ATOM 478 N ASP A 32 -3.599 13.778 -24.170 1.00 25.43 N ATOM 479 CA ASP A 32 -4.845 14.328 -24.689 1.00 34.33 C ATOM 480 C ASP A 32 -5.189 15.643 -23.997 1.00 2.04 C ATOM 481 O ASP A 32 -6.018 16.413 -24.481 1.00 71.11 O ATOM 482 CB ASP A 32 -5.986 13.326 -24.503 1.00 12.15 C ATOM 483 CG ASP A 32 -6.053 12.310 -25.625 1.00 71.52 C ATOM 484 OD1 ASP A 32 -5.338 12.491 -26.633 1.00 74.45 O ATOM 485 OD2 ASP A 32 -6.820 11.332 -25.495 1.00 45.44 O ATOM 0 H ASP A 32 -3.713 13.165 -23.363 1.00 25.43 H new ATOM 0 HA ASP A 32 -4.712 14.522 -25.753 1.00 34.33 H new ATOM 0 HB2 ASP A 32 -5.858 12.806 -23.553 1.00 12.15 H new ATOM 0 HB3 ASP A 32 -6.932 13.864 -24.447 1.00 12.15 H new ATOM 490 N SER A 33 -4.546 15.893 -22.860 1.00 51.43 N ATOM 491 CA SER A 33 -4.787 17.113 -22.099 1.00 10.34 C ATOM 492 C SER A 33 -3.955 18.269 -22.646 1.00 61.21 C ATOM 493 O SER A 33 -4.479 19.347 -22.926 1.00 5.33 O ATOM 494 CB SER A 33 -4.460 16.890 -20.621 1.00 32.12 C ATOM 495 OG SER A 33 -5.482 16.147 -19.979 1.00 60.52 O ATOM 0 H SER A 33 -3.855 15.267 -22.446 1.00 51.43 H new ATOM 0 HA SER A 33 -5.842 17.370 -22.197 1.00 10.34 H new ATOM 0 HB2 SER A 33 -3.511 16.362 -20.531 1.00 32.12 H new ATOM 0 HB3 SER A 33 -4.338 17.852 -20.123 1.00 32.12 H new ATOM 0 HG SER A 33 -5.848 16.669 -19.235 1.00 60.52 H new ATOM 501 N ARG A 34 -2.655 18.035 -22.796 1.00 73.33 N ATOM 502 CA ARG A 34 -1.749 19.055 -23.309 1.00 13.41 C ATOM 503 C ARG A 34 -1.686 20.251 -22.363 1.00 25.45 C ATOM 504 O ARG A 34 -2.269 20.229 -21.279 1.00 11.44 O ATOM 505 CB ARG A 34 -2.197 19.514 -24.698 1.00 14.42 C ATOM 506 CG ARG A 34 -2.328 18.380 -25.701 1.00 44.34 C ATOM 507 CD ARG A 34 -2.234 18.889 -27.132 1.00 31.45 C ATOM 508 NE ARG A 34 -3.502 19.442 -27.600 1.00 2.33 N ATOM 509 CZ ARG A 34 -4.538 18.697 -27.969 1.00 24.02 C ATOM 510 NH1 ARG A 34 -4.456 17.374 -27.924 1.00 53.40 N ATOM 511 NH2 ARG A 34 -5.658 19.275 -28.383 1.00 61.44 N ATOM 0 H ARG A 34 -2.206 17.148 -22.569 1.00 73.33 H new ATOM 0 HA ARG A 34 -0.753 18.617 -23.382 1.00 13.41 H new ATOM 0 HB2 ARG A 34 -3.157 20.024 -24.611 1.00 14.42 H new ATOM 0 HB3 ARG A 34 -1.482 20.244 -25.078 1.00 14.42 H new ATOM 0 HG2 ARG A 34 -1.545 17.643 -25.523 1.00 44.34 H new ATOM 0 HG3 ARG A 34 -3.282 17.873 -25.556 1.00 44.34 H new ATOM 0 HD2 ARG A 34 -1.460 19.654 -27.195 1.00 31.45 H new ATOM 0 HD3 ARG A 34 -1.930 18.073 -27.788 1.00 31.45 H new ATOM 0 HE ARG A 34 -3.597 20.456 -27.646 1.00 2.33 H new ATOM 0 HH11 ARG A 34 -3.596 16.927 -27.606 1.00 53.40 H new ATOM 0 HH12 ARG A 34 -5.253 16.804 -28.208 1.00 53.40 H new ATOM 0 HH21 ARG A 34 -5.724 20.292 -28.418 1.00 61.44 H new ATOM 0 HH22 ARG A 34 -6.453 18.702 -28.666 1.00 61.44 H new ATOM 525 N PHE A 35 -0.972 21.292 -22.780 1.00 34.45 N ATOM 526 CA PHE A 35 -0.831 22.495 -21.969 1.00 2.43 C ATOM 527 C PHE A 35 -2.165 23.225 -21.841 1.00 43.44 C ATOM 528 O PHE A 35 -2.411 23.925 -20.859 1.00 32.01 O ATOM 529 CB PHE A 35 0.217 23.427 -22.580 1.00 41.54 C ATOM 530 CG PHE A 35 1.535 22.757 -22.844 1.00 21.14 C ATOM 531 CD1 PHE A 35 2.299 22.265 -21.797 1.00 15.31 C ATOM 532 CD2 PHE A 35 2.010 22.618 -24.138 1.00 24.34 C ATOM 533 CE1 PHE A 35 3.512 21.649 -22.036 1.00 71.35 C ATOM 534 CE2 PHE A 35 3.223 22.001 -24.383 1.00 40.53 C ATOM 535 CZ PHE A 35 3.974 21.515 -23.331 1.00 42.42 C ATOM 0 H PHE A 35 -0.483 21.326 -23.674 1.00 34.45 H new ATOM 0 HA PHE A 35 -0.505 22.195 -20.973 1.00 2.43 H new ATOM 0 HB2 PHE A 35 -0.170 23.831 -23.515 1.00 41.54 H new ATOM 0 HB3 PHE A 35 0.376 24.271 -21.909 1.00 41.54 H new ATOM 0 HD1 PHE A 35 1.942 22.365 -20.783 1.00 15.31 H new ATOM 0 HD2 PHE A 35 1.426 22.996 -24.965 1.00 24.34 H new ATOM 0 HE1 PHE A 35 4.099 21.272 -21.211 1.00 71.35 H new ATOM 0 HE2 PHE A 35 3.583 21.899 -25.396 1.00 40.53 H new ATOM 0 HZ PHE A 35 4.921 21.031 -23.520 1.00 42.42 H new ATOM 545 N VAL A 36 -3.022 23.057 -22.843 1.00 54.51 N ATOM 546 CA VAL A 36 -4.332 23.699 -22.844 1.00 44.22 C ATOM 547 C VAL A 36 -5.205 23.168 -21.713 1.00 3.43 C ATOM 548 O VAL A 36 -5.793 23.940 -20.956 1.00 73.12 O ATOM 549 CB VAL A 36 -5.060 23.485 -24.184 1.00 54.01 C ATOM 550 CG1 VAL A 36 -4.406 24.306 -25.285 1.00 35.00 C ATOM 551 CG2 VAL A 36 -5.080 22.008 -24.549 1.00 55.41 C ATOM 0 H VAL A 36 -2.833 22.482 -23.664 1.00 54.51 H new ATOM 0 HA VAL A 36 -4.162 24.766 -22.697 1.00 44.22 H new ATOM 0 HB VAL A 36 -6.090 23.823 -24.076 1.00 54.01 H new ATOM 0 HG11 VAL A 36 -4.934 24.142 -26.224 1.00 35.00 H new ATOM 0 HG12 VAL A 36 -4.449 25.364 -25.025 1.00 35.00 H new ATOM 0 HG13 VAL A 36 -3.365 24.002 -25.396 1.00 35.00 H new ATOM 0 HG21 VAL A 36 -5.598 21.875 -25.499 1.00 55.41 H new ATOM 0 HG22 VAL A 36 -4.057 21.642 -24.639 1.00 55.41 H new ATOM 0 HG23 VAL A 36 -5.599 21.448 -23.771 1.00 55.41 H new ATOM 561 N GLU A 37 -5.283 21.846 -21.604 1.00 31.25 N ATOM 562 CA GLU A 37 -6.085 21.212 -20.564 1.00 12.13 C ATOM 563 C GLU A 37 -5.298 21.100 -19.261 1.00 44.04 C ATOM 564 O GLU A 37 -5.716 21.614 -18.224 1.00 52.42 O ATOM 565 CB GLU A 37 -6.543 19.824 -21.017 1.00 11.14 C ATOM 566 CG GLU A 37 -7.881 19.404 -20.432 1.00 73.13 C ATOM 567 CD GLU A 37 -9.040 20.207 -20.991 1.00 62.23 C ATOM 568 OE1 GLU A 37 -9.432 19.954 -22.150 1.00 21.32 O ATOM 569 OE2 GLU A 37 -9.554 21.088 -20.271 1.00 60.12 O ATOM 0 H GLU A 37 -4.801 21.193 -22.222 1.00 31.25 H new ATOM 0 HA GLU A 37 -6.961 21.836 -20.386 1.00 12.13 H new ATOM 0 HB2 GLU A 37 -6.611 19.810 -22.105 1.00 11.14 H new ATOM 0 HB3 GLU A 37 -5.787 19.091 -20.736 1.00 11.14 H new ATOM 0 HG2 GLU A 37 -8.046 18.346 -20.635 1.00 73.13 H new ATOM 0 HG3 GLU A 37 -7.852 19.520 -19.349 1.00 73.13 H new ATOM 576 N ASP A 38 -4.156 20.424 -19.324 1.00 21.00 N ATOM 577 CA ASP A 38 -3.309 20.244 -18.151 1.00 4.02 C ATOM 578 C ASP A 38 -2.914 21.591 -17.554 1.00 3.21 C ATOM 579 O ASP A 38 -3.290 21.917 -16.427 1.00 41.42 O ATOM 580 CB ASP A 38 -2.055 19.448 -18.518 1.00 33.34 C ATOM 581 CG ASP A 38 -1.484 18.690 -17.335 1.00 41.32 C ATOM 582 OD1 ASP A 38 -2.175 17.787 -16.819 1.00 22.12 O ATOM 583 OD2 ASP A 38 -0.346 19.000 -16.927 1.00 5.24 O ATOM 0 H ASP A 38 -3.796 19.992 -20.175 1.00 21.00 H new ATOM 0 HA ASP A 38 -3.877 19.689 -17.405 1.00 4.02 H new ATOM 0 HB2 ASP A 38 -2.295 18.744 -19.315 1.00 33.34 H new ATOM 0 HB3 ASP A 38 -1.298 20.128 -18.910 1.00 33.34 H new ATOM 588 N LEU A 39 -2.153 22.370 -18.315 1.00 63.43 N ATOM 589 CA LEU A 39 -1.705 23.682 -17.862 1.00 33.14 C ATOM 590 C LEU A 39 -2.736 24.755 -18.198 1.00 62.14 C ATOM 591 O LEU A 39 -3.795 24.461 -18.751 1.00 22.32 O ATOM 592 CB LEU A 39 -0.360 24.032 -18.499 1.00 41.55 C ATOM 593 CG LEU A 39 0.873 23.392 -17.860 1.00 50.54 C ATOM 594 CD1 LEU A 39 2.132 23.787 -18.617 1.00 11.33 C ATOM 595 CD2 LEU A 39 0.982 23.790 -16.396 1.00 14.34 C ATOM 0 H LEU A 39 -1.833 22.115 -19.249 1.00 63.43 H new ATOM 0 HA LEU A 39 -1.587 23.645 -16.779 1.00 33.14 H new ATOM 0 HB2 LEU A 39 -0.392 23.742 -19.549 1.00 41.55 H new ATOM 0 HB3 LEU A 39 -0.238 25.115 -18.471 1.00 41.55 H new ATOM 0 HG LEU A 39 0.766 22.309 -17.914 1.00 50.54 H new ATOM 0 HD11 LEU A 39 2.999 23.322 -18.148 1.00 11.33 H new ATOM 0 HD12 LEU A 39 2.055 23.451 -19.651 1.00 11.33 H new ATOM 0 HD13 LEU A 39 2.245 24.871 -18.595 1.00 11.33 H new ATOM 0 HD21 LEU A 39 1.865 23.325 -15.957 1.00 14.34 H new ATOM 0 HD22 LEU A 39 1.066 24.874 -16.319 1.00 14.34 H new ATOM 0 HD23 LEU A 39 0.093 23.456 -15.861 1.00 14.34 H new ATOM 607 N ASN A 40 -2.416 26.001 -17.863 1.00 72.23 N ATOM 608 CA ASN A 40 -3.314 27.119 -18.132 1.00 23.53 C ATOM 609 C ASN A 40 -2.655 28.134 -19.061 1.00 33.21 C ATOM 610 O ASN A 40 -2.795 29.342 -18.875 1.00 40.22 O ATOM 611 CB ASN A 40 -3.722 27.798 -16.823 1.00 23.21 C ATOM 612 CG ASN A 40 -2.525 28.231 -15.999 1.00 24.02 C ATOM 613 OD1 ASN A 40 -1.687 27.411 -15.622 1.00 42.33 O ATOM 614 ND2 ASN A 40 -2.440 29.525 -15.714 1.00 45.33 N ATOM 0 H ASN A 40 -1.543 26.262 -17.405 1.00 72.23 H new ATOM 0 HA ASN A 40 -4.205 26.728 -18.624 1.00 23.53 H new ATOM 0 HB2 ASN A 40 -4.340 28.668 -17.045 1.00 23.21 H new ATOM 0 HB3 ASN A 40 -4.334 27.113 -16.237 1.00 23.21 H new ATOM 0 HD21 ASN A 40 -1.657 29.875 -15.162 1.00 45.33 H new ATOM 0 HD22 ASN A 40 -3.158 30.169 -16.047 1.00 45.33 H new ATOM 621 N ALA A 41 -1.938 27.634 -20.062 1.00 21.44 N ATOM 622 CA ALA A 41 -1.260 28.496 -21.021 1.00 52.24 C ATOM 623 C ALA A 41 -0.971 27.751 -22.320 1.00 44.31 C ATOM 624 O ALA A 41 -0.695 26.551 -22.311 1.00 14.45 O ATOM 625 CB ALA A 41 0.029 29.040 -20.424 1.00 21.01 C ATOM 0 H ALA A 41 -1.812 26.636 -20.230 1.00 21.44 H new ATOM 0 HA ALA A 41 -1.921 29.332 -21.251 1.00 52.24 H new ATOM 0 HB1 ALA A 41 0.525 29.682 -21.152 1.00 21.01 H new ATOM 0 HB2 ALA A 41 -0.200 29.617 -19.528 1.00 21.01 H new ATOM 0 HB3 ALA A 41 0.688 28.211 -20.164 1.00 21.01 H new ATOM 631 N ASP A 42 -1.035 28.470 -23.436 1.00 32.23 N ATOM 632 CA ASP A 42 -0.779 27.877 -24.743 1.00 75.51 C ATOM 633 C ASP A 42 0.714 27.653 -24.955 1.00 65.34 C ATOM 634 O ASP A 42 1.544 28.223 -24.248 1.00 5.14 O ATOM 635 CB ASP A 42 -1.336 28.772 -25.851 1.00 12.11 C ATOM 636 CG ASP A 42 -2.777 28.445 -26.191 1.00 30.23 C ATOM 637 OD1 ASP A 42 -3.682 29.036 -25.567 1.00 13.35 O ATOM 638 OD2 ASP A 42 -2.999 27.597 -27.080 1.00 73.51 O ATOM 0 H ASP A 42 -1.262 29.464 -23.461 1.00 32.23 H new ATOM 0 HA ASP A 42 -1.282 26.911 -24.781 1.00 75.51 H new ATOM 0 HB2 ASP A 42 -1.267 29.815 -25.541 1.00 12.11 H new ATOM 0 HB3 ASP A 42 -0.721 28.664 -26.745 1.00 12.11 H new ATOM 643 N SER A 43 1.049 26.818 -25.934 1.00 65.10 N ATOM 644 CA SER A 43 2.443 26.515 -26.236 1.00 64.35 C ATOM 645 C SER A 43 3.273 27.793 -26.316 1.00 35.11 C ATOM 646 O SER A 43 4.463 27.795 -26.000 1.00 10.45 O ATOM 647 CB SER A 43 2.545 25.744 -27.554 1.00 44.44 C ATOM 648 OG SER A 43 2.550 26.628 -28.662 1.00 71.24 O ATOM 0 H SER A 43 0.374 26.340 -26.531 1.00 65.10 H new ATOM 0 HA SER A 43 2.837 25.897 -25.429 1.00 64.35 H new ATOM 0 HB2 SER A 43 3.455 25.144 -27.559 1.00 44.44 H new ATOM 0 HB3 SER A 43 1.707 25.052 -27.640 1.00 44.44 H new ATOM 0 HG SER A 43 2.618 26.112 -29.492 1.00 71.24 H new ATOM 654 N LEU A 44 2.635 28.878 -26.741 1.00 2.35 N ATOM 655 CA LEU A 44 3.312 30.165 -26.862 1.00 64.33 C ATOM 656 C LEU A 44 4.042 30.520 -25.571 1.00 1.31 C ATOM 657 O LEU A 44 5.204 30.926 -25.594 1.00 41.44 O ATOM 658 CB LEU A 44 2.306 31.262 -27.211 1.00 53.24 C ATOM 659 CG LEU A 44 1.060 31.337 -26.327 1.00 62.55 C ATOM 660 CD1 LEU A 44 1.185 32.472 -25.323 1.00 63.32 C ATOM 661 CD2 LEU A 44 -0.189 31.511 -27.179 1.00 63.23 C ATOM 0 H LEU A 44 1.651 28.893 -27.007 1.00 2.35 H new ATOM 0 HA LEU A 44 4.047 30.087 -27.663 1.00 64.33 H new ATOM 0 HB2 LEU A 44 2.817 32.224 -27.166 1.00 53.24 H new ATOM 0 HB3 LEU A 44 1.986 31.119 -28.243 1.00 53.24 H new ATOM 0 HG LEU A 44 0.972 30.401 -25.776 1.00 62.55 H new ATOM 0 HD11 LEU A 44 0.289 32.510 -24.703 1.00 63.32 H new ATOM 0 HD12 LEU A 44 2.057 32.304 -24.691 1.00 63.32 H new ATOM 0 HD13 LEU A 44 1.298 33.417 -25.854 1.00 63.32 H new ATOM 0 HD21 LEU A 44 -1.066 31.562 -26.533 1.00 63.23 H new ATOM 0 HD22 LEU A 44 -0.110 32.432 -27.757 1.00 63.23 H new ATOM 0 HD23 LEU A 44 -0.287 30.664 -27.858 1.00 63.23 H new ATOM 673 N ASP A 45 3.353 30.363 -24.446 1.00 25.11 N ATOM 674 CA ASP A 45 3.937 30.664 -23.144 1.00 11.13 C ATOM 675 C ASP A 45 4.828 29.520 -22.670 1.00 44.41 C ATOM 676 O ASP A 45 5.778 29.733 -21.916 1.00 21.55 O ATOM 677 CB ASP A 45 2.835 30.928 -22.116 1.00 62.21 C ATOM 678 CG ASP A 45 2.447 32.392 -22.046 1.00 62.40 C ATOM 679 OD1 ASP A 45 2.961 33.182 -22.866 1.00 34.12 O ATOM 680 OD2 ASP A 45 1.629 32.747 -21.172 1.00 24.00 O ATOM 0 H ASP A 45 2.390 30.029 -24.409 1.00 25.11 H new ATOM 0 HA ASP A 45 4.550 31.559 -23.247 1.00 11.13 H new ATOM 0 HB2 ASP A 45 1.957 30.334 -22.369 1.00 62.21 H new ATOM 0 HB3 ASP A 45 3.172 30.597 -21.134 1.00 62.21 H new ATOM 685 N ILE A 46 4.515 28.309 -23.117 1.00 23.11 N ATOM 686 CA ILE A 46 5.288 27.132 -22.739 1.00 10.45 C ATOM 687 C ILE A 46 6.715 27.219 -23.268 1.00 25.32 C ATOM 688 O ILE A 46 7.652 26.725 -22.640 1.00 5.35 O ATOM 689 CB ILE A 46 4.636 25.839 -23.261 1.00 60.32 C ATOM 690 CG1 ILE A 46 3.165 25.779 -22.845 1.00 31.22 C ATOM 691 CG2 ILE A 46 5.388 24.621 -22.746 1.00 21.24 C ATOM 692 CD1 ILE A 46 2.965 25.611 -21.355 1.00 20.01 C ATOM 0 H ILE A 46 3.732 28.117 -23.741 1.00 23.11 H new ATOM 0 HA ILE A 46 5.308 27.104 -21.650 1.00 10.45 H new ATOM 0 HB ILE A 46 4.686 25.839 -24.350 1.00 60.32 H new ATOM 0 HG12 ILE A 46 2.666 26.692 -23.170 1.00 31.22 H new ATOM 0 HG13 ILE A 46 2.683 24.951 -23.364 1.00 31.22 H new ATOM 0 HG21 ILE A 46 4.915 23.715 -23.124 1.00 21.24 H new ATOM 0 HG22 ILE A 46 6.422 24.660 -23.088 1.00 21.24 H new ATOM 0 HG23 ILE A 46 5.367 24.614 -21.656 1.00 21.24 H new ATOM 0 HD11 ILE A 46 1.898 25.576 -21.133 1.00 20.01 H new ATOM 0 HD12 ILE A 46 3.434 24.683 -21.027 1.00 20.01 H new ATOM 0 HD13 ILE A 46 3.418 26.452 -20.830 1.00 20.01 H new ATOM 704 N TYR A 47 6.874 27.850 -24.426 1.00 30.03 N ATOM 705 CA TYR A 47 8.187 28.001 -25.040 1.00 65.03 C ATOM 706 C TYR A 47 9.205 28.523 -24.030 1.00 52.35 C ATOM 707 O TYR A 47 10.332 28.034 -23.959 1.00 75.02 O ATOM 708 CB TYR A 47 8.107 28.950 -26.238 1.00 25.44 C ATOM 709 CG TYR A 47 9.441 29.192 -26.908 1.00 72.13 C ATOM 710 CD1 TYR A 47 10.334 30.130 -26.405 1.00 73.11 C ATOM 711 CD2 TYR A 47 9.808 28.482 -28.045 1.00 31.11 C ATOM 712 CE1 TYR A 47 11.552 30.355 -27.015 1.00 64.02 C ATOM 713 CE2 TYR A 47 11.025 28.699 -28.661 1.00 2.32 C ATOM 714 CZ TYR A 47 11.894 29.637 -28.143 1.00 13.25 C ATOM 715 OH TYR A 47 13.107 29.857 -28.752 1.00 45.44 O ATOM 0 H TYR A 47 6.109 28.265 -24.958 1.00 30.03 H new ATOM 0 HA TYR A 47 8.514 27.020 -25.383 1.00 65.03 H new ATOM 0 HB2 TYR A 47 7.411 28.540 -26.970 1.00 25.44 H new ATOM 0 HB3 TYR A 47 7.697 29.905 -25.908 1.00 25.44 H new ATOM 0 HD1 TYR A 47 10.071 30.693 -25.522 1.00 73.11 H new ATOM 0 HD2 TYR A 47 9.130 27.748 -28.454 1.00 31.11 H new ATOM 0 HE1 TYR A 47 12.234 31.089 -26.612 1.00 64.02 H new ATOM 0 HE2 TYR A 47 11.295 28.138 -29.543 1.00 2.32 H new ATOM 0 HH TYR A 47 13.193 29.270 -29.532 1.00 45.44 H new ATOM 725 N GLU A 48 8.797 29.520 -23.251 1.00 41.32 N ATOM 726 CA GLU A 48 9.673 30.110 -22.245 1.00 73.41 C ATOM 727 C GLU A 48 9.867 29.158 -21.068 1.00 72.01 C ATOM 728 O GLU A 48 10.961 29.055 -20.512 1.00 41.10 O ATOM 729 CB GLU A 48 9.097 31.438 -21.751 1.00 51.42 C ATOM 730 CG GLU A 48 9.502 32.631 -22.601 1.00 63.11 C ATOM 731 CD GLU A 48 9.015 33.948 -22.029 1.00 21.23 C ATOM 732 OE1 GLU A 48 7.807 34.238 -22.152 1.00 41.42 O ATOM 733 OE2 GLU A 48 9.843 34.688 -21.457 1.00 31.22 O ATOM 0 H GLU A 48 7.867 29.936 -23.297 1.00 41.32 H new ATOM 0 HA GLU A 48 10.643 30.293 -22.707 1.00 73.41 H new ATOM 0 HB2 GLU A 48 8.009 31.368 -21.733 1.00 51.42 H new ATOM 0 HB3 GLU A 48 9.423 31.606 -20.725 1.00 51.42 H new ATOM 0 HG2 GLU A 48 10.588 32.657 -22.689 1.00 63.11 H new ATOM 0 HG3 GLU A 48 9.103 32.507 -23.608 1.00 63.11 H new ATOM 740 N LEU A 49 8.798 28.465 -20.693 1.00 75.42 N ATOM 741 CA LEU A 49 8.849 27.521 -19.582 1.00 15.02 C ATOM 742 C LEU A 49 9.972 26.508 -19.778 1.00 42.43 C ATOM 743 O LEU A 49 10.897 26.426 -18.969 1.00 12.04 O ATOM 744 CB LEU A 49 7.510 26.794 -19.443 1.00 30.15 C ATOM 745 CG LEU A 49 7.117 26.377 -18.025 1.00 31.02 C ATOM 746 CD1 LEU A 49 5.607 26.428 -17.853 1.00 12.53 C ATOM 747 CD2 LEU A 49 7.644 24.984 -17.713 1.00 71.12 C ATOM 0 H LEU A 49 7.885 28.539 -21.142 1.00 75.42 H new ATOM 0 HA LEU A 49 9.047 28.083 -18.669 1.00 15.02 H new ATOM 0 HB2 LEU A 49 6.726 27.439 -19.841 1.00 30.15 H new ATOM 0 HB3 LEU A 49 7.537 25.902 -20.068 1.00 30.15 H new ATOM 0 HG LEU A 49 7.566 27.079 -17.323 1.00 31.02 H new ATOM 0 HD11 LEU A 49 5.346 26.128 -16.838 1.00 12.53 H new ATOM 0 HD12 LEU A 49 5.254 27.443 -18.033 1.00 12.53 H new ATOM 0 HD13 LEU A 49 5.137 25.749 -18.564 1.00 12.53 H new ATOM 0 HD21 LEU A 49 7.355 24.704 -16.700 1.00 71.12 H new ATOM 0 HD22 LEU A 49 7.224 24.269 -18.421 1.00 71.12 H new ATOM 0 HD23 LEU A 49 8.731 24.980 -17.794 1.00 71.12 H new ATOM 759 N LEU A 50 9.888 25.741 -20.859 1.00 74.02 N ATOM 760 CA LEU A 50 10.899 24.735 -21.164 1.00 73.42 C ATOM 761 C LEU A 50 12.248 25.387 -21.449 1.00 53.11 C ATOM 762 O LEU A 50 13.283 24.934 -20.961 1.00 63.11 O ATOM 763 CB LEU A 50 10.463 23.893 -22.365 1.00 31.33 C ATOM 764 CG LEU A 50 9.858 24.662 -23.540 1.00 22.12 C ATOM 765 CD1 LEU A 50 10.712 24.490 -24.786 1.00 62.03 C ATOM 766 CD2 LEU A 50 8.431 24.202 -23.801 1.00 25.41 C ATOM 0 H LEU A 50 9.130 25.796 -21.539 1.00 74.02 H new ATOM 0 HA LEU A 50 11.006 24.088 -20.293 1.00 73.42 H new ATOM 0 HB2 LEU A 50 11.328 23.338 -22.727 1.00 31.33 H new ATOM 0 HB3 LEU A 50 9.733 23.159 -22.023 1.00 31.33 H new ATOM 0 HG LEU A 50 9.835 25.721 -23.283 1.00 22.12 H new ATOM 0 HD11 LEU A 50 10.266 25.044 -25.612 1.00 62.03 H new ATOM 0 HD12 LEU A 50 11.716 24.869 -24.594 1.00 62.03 H new ATOM 0 HD13 LEU A 50 10.767 23.433 -25.046 1.00 62.03 H new ATOM 0 HD21 LEU A 50 8.017 24.760 -24.641 1.00 25.41 H new ATOM 0 HD22 LEU A 50 8.429 23.138 -24.037 1.00 25.41 H new ATOM 0 HD23 LEU A 50 7.824 24.378 -22.913 1.00 25.41 H new ATOM 778 N TYR A 51 12.228 26.454 -22.240 1.00 15.22 N ATOM 779 CA TYR A 51 13.449 27.169 -22.590 1.00 1.32 C ATOM 780 C TYR A 51 14.261 27.504 -21.342 1.00 53.32 C ATOM 781 O TYR A 51 15.452 27.203 -21.263 1.00 24.24 O ATOM 782 CB TYR A 51 13.113 28.452 -23.353 1.00 23.30 C ATOM 783 CG TYR A 51 14.253 29.444 -23.401 1.00 22.12 C ATOM 784 CD1 TYR A 51 15.545 29.033 -23.704 1.00 64.12 C ATOM 785 CD2 TYR A 51 14.039 30.792 -23.142 1.00 34.14 C ATOM 786 CE1 TYR A 51 16.590 29.936 -23.748 1.00 63.44 C ATOM 787 CE2 TYR A 51 15.077 31.702 -23.185 1.00 20.20 C ATOM 788 CZ TYR A 51 16.351 31.269 -23.489 1.00 30.14 C ATOM 789 OH TYR A 51 17.388 32.172 -23.531 1.00 63.04 O ATOM 0 H TYR A 51 11.379 26.843 -22.651 1.00 15.22 H new ATOM 0 HA TYR A 51 14.049 26.521 -23.229 1.00 1.32 H new ATOM 0 HB2 TYR A 51 12.824 28.194 -24.372 1.00 23.30 H new ATOM 0 HB3 TYR A 51 12.249 28.926 -22.887 1.00 23.30 H new ATOM 0 HD1 TYR A 51 15.736 27.990 -23.909 1.00 64.12 H new ATOM 0 HD2 TYR A 51 13.043 31.134 -22.903 1.00 34.14 H new ATOM 0 HE1 TYR A 51 17.589 29.599 -23.984 1.00 63.44 H new ATOM 0 HE2 TYR A 51 14.892 32.747 -22.982 1.00 20.20 H new ATOM 0 HH TYR A 51 17.050 33.069 -23.326 1.00 63.04 H new ATOM 799 N LEU A 52 13.607 28.129 -20.369 1.00 53.34 N ATOM 800 CA LEU A 52 14.266 28.506 -19.123 1.00 73.35 C ATOM 801 C LEU A 52 14.671 27.270 -18.327 1.00 35.25 C ATOM 802 O LEU A 52 15.655 27.290 -17.586 1.00 53.11 O ATOM 803 CB LEU A 52 13.343 29.389 -18.282 1.00 51.33 C ATOM 804 CG LEU A 52 13.510 30.898 -18.463 1.00 44.42 C ATOM 805 CD1 LEU A 52 13.154 31.309 -19.884 1.00 21.54 C ATOM 806 CD2 LEU A 52 12.655 31.654 -17.457 1.00 54.43 C ATOM 0 H LEU A 52 12.621 28.385 -20.419 1.00 53.34 H new ATOM 0 HA LEU A 52 15.167 29.067 -19.372 1.00 73.35 H new ATOM 0 HB2 LEU A 52 12.311 29.127 -18.515 1.00 51.33 H new ATOM 0 HB3 LEU A 52 13.503 29.149 -17.231 1.00 51.33 H new ATOM 0 HG LEU A 52 14.555 31.152 -18.285 1.00 44.42 H new ATOM 0 HD11 LEU A 52 13.279 32.386 -19.993 1.00 21.54 H new ATOM 0 HD12 LEU A 52 13.810 30.794 -20.587 1.00 21.54 H new ATOM 0 HD13 LEU A 52 12.118 31.041 -20.092 1.00 21.54 H new ATOM 0 HD21 LEU A 52 12.787 32.726 -17.601 1.00 54.43 H new ATOM 0 HD22 LEU A 52 11.606 31.394 -17.603 1.00 54.43 H new ATOM 0 HD23 LEU A 52 12.958 31.384 -16.446 1.00 54.43 H new ATOM 818 N LEU A 53 13.907 26.194 -18.484 1.00 51.34 N ATOM 819 CA LEU A 53 14.187 24.947 -17.781 1.00 41.23 C ATOM 820 C LEU A 53 15.480 24.315 -18.288 1.00 14.14 C ATOM 821 O LEU A 53 16.165 23.607 -17.551 1.00 2.23 O ATOM 822 CB LEU A 53 13.025 23.968 -17.956 1.00 13.22 C ATOM 823 CG LEU A 53 12.063 23.851 -16.773 1.00 31.41 C ATOM 824 CD1 LEU A 53 11.668 25.229 -16.267 1.00 10.21 C ATOM 825 CD2 LEU A 53 10.829 23.051 -17.166 1.00 42.21 C ATOM 0 H LEU A 53 13.089 26.160 -19.092 1.00 51.34 H new ATOM 0 HA LEU A 53 14.306 25.174 -16.722 1.00 41.23 H new ATOM 0 HB2 LEU A 53 12.454 24.266 -18.835 1.00 13.22 H new ATOM 0 HB3 LEU A 53 13.436 22.980 -18.163 1.00 13.22 H new ATOM 0 HG LEU A 53 12.572 23.323 -15.967 1.00 31.41 H new ATOM 0 HD11 LEU A 53 10.983 25.125 -15.425 1.00 10.21 H new ATOM 0 HD12 LEU A 53 12.559 25.768 -15.945 1.00 10.21 H new ATOM 0 HD13 LEU A 53 11.178 25.784 -17.067 1.00 10.21 H new ATOM 0 HD21 LEU A 53 10.156 22.978 -16.312 1.00 42.21 H new ATOM 0 HD22 LEU A 53 10.318 23.551 -17.989 1.00 42.21 H new ATOM 0 HD23 LEU A 53 11.128 22.051 -17.479 1.00 42.21 H new ATOM 837 N GLU A 54 15.806 24.578 -19.549 1.00 64.11 N ATOM 838 CA GLU A 54 17.018 24.035 -20.153 1.00 12.33 C ATOM 839 C GLU A 54 18.233 24.304 -19.269 1.00 70.34 C ATOM 840 O GLU A 54 19.001 23.393 -18.960 1.00 50.43 O ATOM 841 CB GLU A 54 17.238 24.641 -21.540 1.00 44.23 C ATOM 842 CG GLU A 54 16.168 24.259 -22.549 1.00 31.05 C ATOM 843 CD GLU A 54 16.248 25.077 -23.823 1.00 12.13 C ATOM 844 OE1 GLU A 54 17.308 25.691 -24.067 1.00 54.12 O ATOM 845 OE2 GLU A 54 15.251 25.104 -24.575 1.00 25.22 O ATOM 0 H GLU A 54 15.249 25.163 -20.172 1.00 64.11 H new ATOM 0 HA GLU A 54 16.893 22.957 -20.252 1.00 12.33 H new ATOM 0 HB2 GLU A 54 17.271 25.727 -21.452 1.00 44.23 H new ATOM 0 HB3 GLU A 54 18.210 24.322 -21.916 1.00 44.23 H new ATOM 0 HG2 GLU A 54 16.266 23.201 -22.794 1.00 31.05 H new ATOM 0 HG3 GLU A 54 15.185 24.392 -22.098 1.00 31.05 H new ATOM 852 N GLU A 55 18.399 25.560 -18.868 1.00 4.02 N ATOM 853 CA GLU A 55 19.522 25.948 -18.022 1.00 14.45 C ATOM 854 C GLU A 55 19.362 25.384 -16.613 1.00 32.31 C ATOM 855 O GLU A 55 20.343 25.032 -15.959 1.00 30.40 O ATOM 856 CB GLU A 55 19.640 27.473 -17.961 1.00 61.33 C ATOM 857 CG GLU A 55 19.332 28.054 -16.591 1.00 62.54 C ATOM 858 CD GLU A 55 19.392 29.569 -16.573 1.00 71.42 C ATOM 859 OE1 GLU A 55 20.161 30.141 -17.374 1.00 21.03 O ATOM 860 OE2 GLU A 55 18.670 30.182 -15.759 1.00 64.32 O ATOM 0 H GLU A 55 17.772 26.325 -19.115 1.00 4.02 H new ATOM 0 HA GLU A 55 20.432 25.537 -18.459 1.00 14.45 H new ATOM 0 HB2 GLU A 55 20.650 27.762 -18.250 1.00 61.33 H new ATOM 0 HB3 GLU A 55 18.961 27.911 -18.693 1.00 61.33 H new ATOM 0 HG2 GLU A 55 18.340 27.730 -16.278 1.00 62.54 H new ATOM 0 HG3 GLU A 55 20.041 27.657 -15.864 1.00 62.54 H new ATOM 867 N ALA A 56 18.118 25.301 -16.152 1.00 51.34 N ATOM 868 CA ALA A 56 17.828 24.779 -14.823 1.00 25.41 C ATOM 869 C ALA A 56 18.303 23.336 -14.685 1.00 72.10 C ATOM 870 O ALA A 56 18.503 22.841 -13.576 1.00 32.14 O ATOM 871 CB ALA A 56 16.339 24.877 -14.530 1.00 33.31 C ATOM 0 H ALA A 56 17.295 25.589 -16.680 1.00 51.34 H new ATOM 0 HA ALA A 56 18.370 25.384 -14.096 1.00 25.41 H new ATOM 0 HB1 ALA A 56 16.138 24.483 -13.534 1.00 33.31 H new ATOM 0 HB2 ALA A 56 16.027 25.920 -14.578 1.00 33.31 H new ATOM 0 HB3 ALA A 56 15.784 24.298 -15.268 1.00 33.31 H new ATOM 877 N PHE A 57 18.480 22.665 -15.819 1.00 4.45 N ATOM 878 CA PHE A 57 18.930 21.278 -15.824 1.00 12.12 C ATOM 879 C PHE A 57 20.185 21.116 -16.676 1.00 3.42 C ATOM 880 O PHE A 57 20.672 20.004 -16.878 1.00 60.22 O ATOM 881 CB PHE A 57 17.822 20.363 -16.349 1.00 72.03 C ATOM 882 CG PHE A 57 16.457 20.717 -15.833 1.00 55.42 C ATOM 883 CD1 PHE A 57 16.265 21.023 -14.495 1.00 70.33 C ATOM 884 CD2 PHE A 57 15.365 20.746 -16.686 1.00 31.31 C ATOM 885 CE1 PHE A 57 15.010 21.348 -14.018 1.00 15.32 C ATOM 886 CE2 PHE A 57 14.107 21.071 -16.214 1.00 50.11 C ATOM 887 CZ PHE A 57 13.929 21.374 -14.878 1.00 65.34 C ATOM 0 H PHE A 57 18.319 23.059 -16.746 1.00 4.45 H new ATOM 0 HA PHE A 57 19.170 20.996 -14.799 1.00 12.12 H new ATOM 0 HB2 PHE A 57 17.812 20.406 -17.438 1.00 72.03 H new ATOM 0 HB3 PHE A 57 18.050 19.334 -16.072 1.00 72.03 H new ATOM 0 HD1 PHE A 57 17.106 21.007 -13.818 1.00 70.33 H new ATOM 0 HD2 PHE A 57 15.498 20.512 -17.732 1.00 31.31 H new ATOM 0 HE1 PHE A 57 14.874 21.582 -12.972 1.00 15.32 H new ATOM 0 HE2 PHE A 57 13.264 21.088 -16.889 1.00 50.11 H new ATOM 0 HZ PHE A 57 12.948 21.630 -14.507 1.00 65.34 H new ATOM 897 N ASP A 58 20.704 22.234 -17.173 1.00 33.04 N ATOM 898 CA ASP A 58 21.903 22.218 -18.003 1.00 33.34 C ATOM 899 C ASP A 58 21.767 21.203 -19.133 1.00 60.25 C ATOM 900 O ASP A 58 22.579 20.286 -19.259 1.00 32.24 O ATOM 901 CB ASP A 58 23.132 21.892 -17.153 1.00 43.13 C ATOM 902 CG ASP A 58 24.425 22.017 -17.935 1.00 4.32 C ATOM 903 OD1 ASP A 58 24.904 23.157 -18.110 1.00 23.01 O ATOM 904 OD2 ASP A 58 24.958 20.976 -18.372 1.00 71.52 O ATOM 0 H ASP A 58 20.313 23.163 -17.015 1.00 33.04 H new ATOM 0 HA ASP A 58 22.026 23.208 -18.441 1.00 33.34 H new ATOM 0 HB2 ASP A 58 23.164 22.562 -16.294 1.00 43.13 H new ATOM 0 HB3 ASP A 58 23.043 20.878 -16.764 1.00 43.13 H new ATOM 909 N ASP A 59 20.736 21.373 -19.954 1.00 11.05 N ATOM 910 CA ASP A 59 20.493 20.472 -21.074 1.00 45.03 C ATOM 911 C ASP A 59 19.496 21.081 -22.055 1.00 63.12 C ATOM 912 O ASP A 59 18.627 21.863 -21.669 1.00 30.52 O ATOM 913 CB ASP A 59 19.974 19.125 -20.570 1.00 60.31 C ATOM 914 CG ASP A 59 21.087 18.118 -20.358 1.00 23.24 C ATOM 915 OD1 ASP A 59 21.975 18.022 -21.230 1.00 50.45 O ATOM 916 OD2 ASP A 59 21.070 17.424 -19.319 1.00 4.52 O ATOM 0 H ASP A 59 20.055 22.127 -19.864 1.00 11.05 H new ATOM 0 HA ASP A 59 21.438 20.316 -21.594 1.00 45.03 H new ATOM 0 HB2 ASP A 59 19.439 19.273 -19.632 1.00 60.31 H new ATOM 0 HB3 ASP A 59 19.257 18.724 -21.286 1.00 60.31 H new ATOM 921 N LYS A 60 19.628 20.719 -23.327 1.00 25.54 N ATOM 922 CA LYS A 60 18.740 21.228 -24.364 1.00 52.13 C ATOM 923 C LYS A 60 17.374 20.552 -24.291 1.00 65.15 C ATOM 924 O LYS A 60 17.282 19.332 -24.151 1.00 5.11 O ATOM 925 CB LYS A 60 19.357 21.007 -25.747 1.00 62.00 C ATOM 926 CG LYS A 60 20.318 22.106 -26.167 1.00 31.11 C ATOM 927 CD LYS A 60 20.651 22.020 -27.647 1.00 54.11 C ATOM 928 CE LYS A 60 21.393 23.259 -28.124 1.00 53.12 C ATOM 929 NZ LYS A 60 21.792 23.150 -29.555 1.00 11.13 N ATOM 0 H LYS A 60 20.343 20.074 -23.664 1.00 25.54 H new ATOM 0 HA LYS A 60 18.606 22.297 -24.200 1.00 52.13 H new ATOM 0 HB2 LYS A 60 19.884 20.053 -25.752 1.00 62.00 H new ATOM 0 HB3 LYS A 60 18.558 20.933 -26.485 1.00 62.00 H new ATOM 0 HG2 LYS A 60 19.878 23.079 -25.948 1.00 31.11 H new ATOM 0 HG3 LYS A 60 21.235 22.032 -25.582 1.00 31.11 H new ATOM 0 HD2 LYS A 60 21.260 21.136 -27.833 1.00 54.11 H new ATOM 0 HD3 LYS A 60 19.732 21.901 -28.221 1.00 54.11 H new ATOM 0 HE2 LYS A 60 20.760 24.136 -27.989 1.00 53.12 H new ATOM 0 HE3 LYS A 60 22.281 23.410 -27.510 1.00 53.12 H new ATOM 0 HZ1 LYS A 60 22.295 24.014 -29.842 1.00 11.13 H new ATOM 0 HZ2 LYS A 60 22.417 22.328 -29.680 1.00 11.13 H new ATOM 0 HZ3 LYS A 60 20.943 23.032 -30.144 1.00 11.13 H new ATOM 943 N ILE A 61 16.318 21.351 -24.389 1.00 54.24 N ATOM 944 CA ILE A 61 14.958 20.829 -24.337 1.00 72.32 C ATOM 945 C ILE A 61 14.597 20.105 -25.630 1.00 50.11 C ATOM 946 O ILE A 61 14.257 18.922 -25.634 1.00 63.33 O ATOM 947 CB ILE A 61 13.933 21.951 -24.087 1.00 32.53 C ATOM 948 CG1 ILE A 61 13.757 22.184 -22.585 1.00 12.41 C ATOM 949 CG2 ILE A 61 12.600 21.605 -24.734 1.00 63.32 C ATOM 950 CD1 ILE A 61 12.899 21.139 -21.907 1.00 25.31 C ATOM 0 H ILE A 61 16.377 22.363 -24.505 1.00 54.24 H new ATOM 0 HA ILE A 61 14.923 20.124 -23.506 1.00 72.32 H new ATOM 0 HB ILE A 61 14.306 22.871 -24.538 1.00 32.53 H new ATOM 0 HG12 ILE A 61 14.738 22.200 -22.111 1.00 12.41 H new ATOM 0 HG13 ILE A 61 13.311 23.166 -22.428 1.00 12.41 H new ATOM 0 HG21 ILE A 61 11.886 22.408 -24.548 1.00 63.32 H new ATOM 0 HG22 ILE A 61 12.738 21.483 -25.808 1.00 63.32 H new ATOM 0 HG23 ILE A 61 12.220 20.676 -24.309 1.00 63.32 H new ATOM 0 HD11 ILE A 61 12.818 21.368 -20.844 1.00 25.31 H new ATOM 0 HD12 ILE A 61 11.905 21.138 -22.355 1.00 25.31 H new ATOM 0 HD13 ILE A 61 13.355 20.157 -22.033 1.00 25.31 H new ATOM 962 N PRO A 62 14.673 20.831 -26.755 1.00 64.14 N ATOM 963 CA PRO A 62 14.361 20.278 -28.077 1.00 11.13 C ATOM 964 C PRO A 62 15.402 19.266 -28.542 1.00 71.15 C ATOM 965 O PRO A 62 15.246 18.640 -29.590 1.00 72.41 O ATOM 966 CB PRO A 62 14.367 21.509 -28.987 1.00 22.13 C ATOM 967 CG PRO A 62 15.257 22.485 -28.298 1.00 24.22 C ATOM 968 CD PRO A 62 15.071 22.247 -26.825 1.00 22.02 C ATOM 0 HA PRO A 62 13.416 19.735 -28.079 1.00 11.13 H new ATOM 0 HB2 PRO A 62 14.742 21.265 -29.981 1.00 22.13 H new ATOM 0 HB3 PRO A 62 13.362 21.911 -29.115 1.00 22.13 H new ATOM 0 HG2 PRO A 62 16.297 22.337 -28.589 1.00 24.22 H new ATOM 0 HG3 PRO A 62 14.994 23.509 -28.564 1.00 24.22 H new ATOM 0 HD2 PRO A 62 15.990 22.434 -26.269 1.00 22.02 H new ATOM 0 HD3 PRO A 62 14.306 22.901 -26.406 1.00 22.02 H new ATOM 976 N GLU A 63 16.463 19.111 -27.757 1.00 21.01 N ATOM 977 CA GLU A 63 17.530 18.174 -28.091 1.00 14.32 C ATOM 978 C GLU A 63 17.531 16.987 -27.132 1.00 3.43 C ATOM 979 O GLU A 63 17.301 15.849 -27.536 1.00 60.33 O ATOM 980 CB GLU A 63 18.888 18.878 -28.051 1.00 73.01 C ATOM 981 CG GLU A 63 19.853 18.399 -29.122 1.00 62.40 C ATOM 982 CD GLU A 63 19.468 18.873 -30.510 1.00 12.33 C ATOM 983 OE1 GLU A 63 19.429 20.102 -30.728 1.00 4.14 O ATOM 984 OE2 GLU A 63 19.205 18.015 -31.378 1.00 31.21 O ATOM 0 H GLU A 63 16.607 19.622 -26.886 1.00 21.01 H new ATOM 0 HA GLU A 63 17.351 17.803 -29.100 1.00 14.32 H new ATOM 0 HB2 GLU A 63 18.735 19.951 -28.165 1.00 73.01 H new ATOM 0 HB3 GLU A 63 19.340 18.723 -27.071 1.00 73.01 H new ATOM 0 HG2 GLU A 63 20.856 18.754 -28.886 1.00 62.40 H new ATOM 0 HG3 GLU A 63 19.890 17.310 -29.112 1.00 62.40 H new ATOM 991 N ASN A 64 17.793 17.264 -25.858 1.00 64.53 N ATOM 992 CA ASN A 64 17.827 16.219 -24.841 1.00 15.11 C ATOM 993 C ASN A 64 16.418 15.727 -24.521 1.00 24.14 C ATOM 994 O ASN A 64 16.097 14.558 -24.730 1.00 21.45 O ATOM 995 CB ASN A 64 18.499 16.739 -23.569 1.00 31.24 C ATOM 996 CG ASN A 64 19.133 15.627 -22.754 1.00 52.44 C ATOM 997 OD1 ASN A 64 20.355 15.486 -22.723 1.00 23.31 O ATOM 998 ND2 ASN A 64 18.302 14.832 -22.091 1.00 14.31 N ATOM 0 H ASN A 64 17.985 18.202 -25.506 1.00 64.53 H new ATOM 0 HA ASN A 64 18.405 15.382 -25.233 1.00 15.11 H new ATOM 0 HB2 ASN A 64 19.262 17.470 -23.837 1.00 31.24 H new ATOM 0 HB3 ASN A 64 17.761 17.258 -22.958 1.00 31.24 H new ATOM 0 HD21 ASN A 64 18.670 14.066 -21.526 1.00 14.31 H new ATOM 0 HD22 ASN A 64 17.295 14.987 -22.146 1.00 14.31 H new ATOM 1005 N GLU A 65 15.583 16.628 -24.013 1.00 4.21 N ATOM 1006 CA GLU A 65 14.210 16.285 -23.664 1.00 31.21 C ATOM 1007 C GLU A 65 13.462 15.734 -24.875 1.00 1.31 C ATOM 1008 O GLU A 65 12.503 14.976 -24.734 1.00 2.24 O ATOM 1009 CB GLU A 65 13.478 17.511 -23.113 1.00 65.31 C ATOM 1010 CG GLU A 65 13.421 17.554 -21.595 1.00 72.03 C ATOM 1011 CD GLU A 65 14.643 18.211 -20.984 1.00 20.44 C ATOM 1012 OE1 GLU A 65 15.757 17.996 -21.506 1.00 33.53 O ATOM 1013 OE2 GLU A 65 14.485 18.940 -19.982 1.00 41.22 O ATOM 0 H GLU A 65 15.834 17.600 -23.834 1.00 4.21 H new ATOM 0 HA GLU A 65 14.240 15.513 -22.895 1.00 31.21 H new ATOM 0 HB2 GLU A 65 13.972 18.412 -23.475 1.00 65.31 H new ATOM 0 HB3 GLU A 65 12.462 17.525 -23.507 1.00 65.31 H new ATOM 0 HG2 GLU A 65 12.528 18.096 -21.284 1.00 72.03 H new ATOM 0 HG3 GLU A 65 13.328 16.539 -21.210 1.00 72.03 H new ATOM 1020 N ALA A 66 13.908 16.122 -26.065 1.00 44.51 N ATOM 1021 CA ALA A 66 13.283 15.668 -27.301 1.00 24.42 C ATOM 1022 C ALA A 66 13.453 14.163 -27.480 1.00 71.30 C ATOM 1023 O ALA A 66 12.802 13.552 -28.326 1.00 72.14 O ATOM 1024 CB ALA A 66 13.867 16.412 -28.493 1.00 10.05 C ATOM 0 H ALA A 66 14.700 16.750 -26.199 1.00 44.51 H new ATOM 0 HA ALA A 66 12.216 15.883 -27.240 1.00 24.42 H new ATOM 0 HB1 ALA A 66 13.391 16.062 -29.409 1.00 10.05 H new ATOM 0 HB2 ALA A 66 13.690 17.481 -28.377 1.00 10.05 H new ATOM 0 HB3 ALA A 66 14.940 16.226 -28.548 1.00 10.05 H new ATOM 1030 N ASN A 67 14.332 13.571 -26.678 1.00 44.31 N ATOM 1031 CA ASN A 67 14.588 12.137 -26.750 1.00 2.34 C ATOM 1032 C ASN A 67 13.328 11.343 -26.421 1.00 31.22 C ATOM 1033 O ASN A 67 13.180 10.195 -26.838 1.00 62.32 O ATOM 1034 CB ASN A 67 15.714 11.750 -25.788 1.00 51.42 C ATOM 1035 CG ASN A 67 15.203 11.442 -24.394 1.00 71.21 C ATOM 1036 OD1 ASN A 67 15.239 10.295 -23.948 1.00 15.14 O ATOM 1037 ND2 ASN A 67 14.724 12.467 -23.699 1.00 51.14 N ATOM 0 H ASN A 67 14.879 14.062 -25.971 1.00 44.31 H new ATOM 0 HA ASN A 67 14.891 11.898 -27.769 1.00 2.34 H new ATOM 0 HB2 ASN A 67 16.240 10.879 -26.180 1.00 51.42 H new ATOM 0 HB3 ASN A 67 16.438 12.563 -25.735 1.00 51.42 H new ATOM 0 HD21 ASN A 67 14.366 12.320 -22.755 1.00 51.14 H new ATOM 0 HD22 ASN A 67 14.714 13.401 -24.109 1.00 51.14 H new ATOM 1044 N GLU A 68 12.423 11.963 -25.671 1.00 13.24 N ATOM 1045 CA GLU A 68 11.175 11.313 -25.286 1.00 3.30 C ATOM 1046 C GLU A 68 10.115 12.347 -24.915 1.00 63.51 C ATOM 1047 O GLU A 68 9.385 12.180 -23.938 1.00 72.21 O ATOM 1048 CB GLU A 68 11.411 10.363 -24.110 1.00 12.32 C ATOM 1049 CG GLU A 68 11.459 8.899 -24.511 1.00 24.42 C ATOM 1050 CD GLU A 68 10.082 8.318 -24.769 1.00 4.23 C ATOM 1051 OE1 GLU A 68 9.517 8.588 -25.849 1.00 11.34 O ATOM 1052 OE2 GLU A 68 9.571 7.593 -23.890 1.00 13.44 O ATOM 0 H GLU A 68 12.530 12.914 -25.318 1.00 13.24 H new ATOM 0 HA GLU A 68 10.815 10.740 -26.140 1.00 3.30 H new ATOM 0 HB2 GLU A 68 12.349 10.628 -23.622 1.00 12.32 H new ATOM 0 HB3 GLU A 68 10.618 10.504 -23.375 1.00 12.32 H new ATOM 0 HG2 GLU A 68 12.068 8.792 -25.409 1.00 24.42 H new ATOM 0 HG3 GLU A 68 11.949 8.327 -23.723 1.00 24.42 H new ATOM 1059 N PHE A 69 10.038 13.415 -25.702 1.00 30.32 N ATOM 1060 CA PHE A 69 9.069 14.477 -25.456 1.00 61.52 C ATOM 1061 C PHE A 69 7.834 14.299 -26.334 1.00 15.11 C ATOM 1062 O PHE A 69 7.917 13.766 -27.440 1.00 30.14 O ATOM 1063 CB PHE A 69 9.702 15.845 -25.718 1.00 65.53 C ATOM 1064 CG PHE A 69 9.610 16.782 -24.548 1.00 52.05 C ATOM 1065 CD1 PHE A 69 9.813 16.322 -23.257 1.00 55.14 C ATOM 1066 CD2 PHE A 69 9.319 18.123 -24.740 1.00 43.21 C ATOM 1067 CE1 PHE A 69 9.728 17.182 -22.179 1.00 3.24 C ATOM 1068 CE2 PHE A 69 9.234 18.988 -23.665 1.00 43.14 C ATOM 1069 CZ PHE A 69 9.438 18.517 -22.383 1.00 72.20 C ATOM 0 H PHE A 69 10.635 13.568 -26.515 1.00 30.32 H new ATOM 0 HA PHE A 69 8.762 14.421 -24.412 1.00 61.52 H new ATOM 0 HB2 PHE A 69 10.751 15.707 -25.981 1.00 65.53 H new ATOM 0 HB3 PHE A 69 9.215 16.303 -26.579 1.00 65.53 H new ATOM 0 HD1 PHE A 69 10.040 15.279 -23.091 1.00 55.14 H new ATOM 0 HD2 PHE A 69 9.157 18.497 -25.740 1.00 43.21 H new ATOM 0 HE1 PHE A 69 9.888 16.811 -21.178 1.00 3.24 H new ATOM 0 HE2 PHE A 69 9.008 20.032 -23.828 1.00 43.14 H new ATOM 0 HZ PHE A 69 9.371 19.191 -21.542 1.00 72.20 H new ATOM 1079 N GLU A 70 6.688 14.750 -25.831 1.00 63.33 N ATOM 1080 CA GLU A 70 5.435 14.639 -26.569 1.00 2.32 C ATOM 1081 C GLU A 70 4.383 15.585 -25.998 1.00 14.12 C ATOM 1082 O GLU A 70 3.850 16.441 -26.705 1.00 44.23 O ATOM 1083 CB GLU A 70 4.919 13.200 -26.528 1.00 71.51 C ATOM 1084 CG GLU A 70 3.914 12.882 -27.623 1.00 64.01 C ATOM 1085 CD GLU A 70 4.575 12.624 -28.964 1.00 13.24 C ATOM 1086 OE1 GLU A 70 5.821 12.557 -29.009 1.00 13.02 O ATOM 1087 OE2 GLU A 70 3.844 12.489 -29.968 1.00 3.43 O ATOM 0 H GLU A 70 6.602 15.195 -24.917 1.00 63.33 H new ATOM 0 HA GLU A 70 5.627 14.919 -27.605 1.00 2.32 H new ATOM 0 HB2 GLU A 70 5.764 12.517 -26.613 1.00 71.51 H new ATOM 0 HB3 GLU A 70 4.457 13.016 -25.558 1.00 71.51 H new ATOM 0 HG2 GLU A 70 3.332 12.007 -27.334 1.00 64.01 H new ATOM 0 HG3 GLU A 70 3.214 13.712 -27.721 1.00 64.01 H new ATOM 1094 N THR A 71 4.086 15.424 -24.712 1.00 31.11 N ATOM 1095 CA THR A 71 3.096 16.261 -24.045 1.00 64.21 C ATOM 1096 C THR A 71 3.515 16.572 -22.613 1.00 33.54 C ATOM 1097 O THR A 71 4.591 16.172 -22.169 1.00 45.30 O ATOM 1098 CB THR A 71 1.711 15.588 -24.029 1.00 32.12 C ATOM 1099 OG1 THR A 71 1.804 14.289 -23.433 1.00 51.10 O ATOM 1100 CG2 THR A 71 1.152 15.466 -25.438 1.00 71.14 C ATOM 0 H THR A 71 4.517 14.721 -24.111 1.00 31.11 H new ATOM 0 HA THR A 71 3.033 17.190 -24.612 1.00 64.21 H new ATOM 0 HB THR A 71 1.037 16.210 -23.440 1.00 32.12 H new ATOM 0 HG1 THR A 71 1.358 14.297 -22.561 1.00 51.10 H new ATOM 0 HG21 THR A 71 0.173 14.988 -25.401 1.00 71.14 H new ATOM 0 HG22 THR A 71 1.054 16.458 -25.878 1.00 71.14 H new ATOM 0 HG23 THR A 71 1.827 14.864 -26.046 1.00 71.14 H new ATOM 1108 N VAL A 72 2.656 17.286 -21.892 1.00 1.10 N ATOM 1109 CA VAL A 72 2.936 17.649 -20.508 1.00 20.11 C ATOM 1110 C VAL A 72 3.306 16.422 -19.682 1.00 63.12 C ATOM 1111 O VAL A 72 4.262 16.447 -18.908 1.00 14.25 O ATOM 1112 CB VAL A 72 1.728 18.348 -19.856 1.00 23.35 C ATOM 1113 CG1 VAL A 72 2.099 18.882 -18.481 1.00 1.25 C ATOM 1114 CG2 VAL A 72 1.213 19.465 -20.750 1.00 0.22 C ATOM 0 H VAL A 72 1.760 17.624 -22.244 1.00 1.10 H new ATOM 0 HA VAL A 72 3.780 18.339 -20.526 1.00 20.11 H new ATOM 0 HB VAL A 72 0.930 17.616 -19.732 1.00 23.35 H new ATOM 0 HG11 VAL A 72 1.234 19.373 -18.036 1.00 1.25 H new ATOM 0 HG12 VAL A 72 2.416 18.057 -17.844 1.00 1.25 H new ATOM 0 HG13 VAL A 72 2.913 19.600 -18.577 1.00 1.25 H new ATOM 0 HG21 VAL A 72 0.360 19.948 -20.274 1.00 0.22 H new ATOM 0 HG22 VAL A 72 2.004 20.199 -20.908 1.00 0.22 H new ATOM 0 HG23 VAL A 72 0.906 19.050 -21.710 1.00 0.22 H new ATOM 1124 N GLY A 73 2.543 15.347 -19.854 1.00 54.11 N ATOM 1125 CA GLY A 73 2.806 14.124 -19.118 1.00 44.34 C ATOM 1126 C GLY A 73 4.261 13.706 -19.192 1.00 24.11 C ATOM 1127 O GLY A 73 4.794 13.120 -18.249 1.00 62.45 O ATOM 0 H GLY A 73 1.747 15.301 -20.490 1.00 54.11 H new ATOM 0 HA2 GLY A 73 2.524 14.263 -18.074 1.00 44.34 H new ATOM 0 HA3 GLY A 73 2.180 13.324 -19.513 1.00 44.34 H new ATOM 1131 N ASP A 74 4.905 14.006 -20.314 1.00 65.34 N ATOM 1132 CA ASP A 74 6.308 13.656 -20.508 1.00 0.31 C ATOM 1133 C ASP A 74 7.210 14.524 -19.636 1.00 13.42 C ATOM 1134 O ASP A 74 8.203 14.049 -19.085 1.00 52.01 O ATOM 1135 CB ASP A 74 6.696 13.813 -21.979 1.00 24.31 C ATOM 1136 CG ASP A 74 5.965 12.835 -22.878 1.00 2.11 C ATOM 1137 OD1 ASP A 74 4.736 12.686 -22.717 1.00 55.31 O ATOM 1138 OD2 ASP A 74 6.622 12.219 -23.743 1.00 5.53 O ATOM 0 H ASP A 74 4.478 14.491 -21.104 1.00 65.34 H new ATOM 0 HA ASP A 74 6.441 12.615 -20.214 1.00 0.31 H new ATOM 0 HB2 ASP A 74 6.479 14.831 -22.302 1.00 24.31 H new ATOM 0 HB3 ASP A 74 7.771 13.667 -22.086 1.00 24.31 H new ATOM 1143 N VAL A 75 6.857 15.800 -19.515 1.00 43.54 N ATOM 1144 CA VAL A 75 7.634 16.735 -18.710 1.00 44.45 C ATOM 1145 C VAL A 75 7.454 16.461 -17.222 1.00 14.02 C ATOM 1146 O VAL A 75 8.396 16.580 -16.439 1.00 21.44 O ATOM 1147 CB VAL A 75 7.237 18.194 -19.004 1.00 53.24 C ATOM 1148 CG1 VAL A 75 8.346 19.146 -18.582 1.00 33.43 C ATOM 1149 CG2 VAL A 75 6.906 18.369 -20.479 1.00 1.11 C ATOM 0 H VAL A 75 6.038 16.210 -19.964 1.00 43.54 H new ATOM 0 HA VAL A 75 8.680 16.590 -18.979 1.00 44.45 H new ATOM 0 HB VAL A 75 6.346 18.433 -18.424 1.00 53.24 H new ATOM 0 HG11 VAL A 75 8.047 20.172 -18.798 1.00 33.43 H new ATOM 0 HG12 VAL A 75 8.530 19.039 -17.513 1.00 33.43 H new ATOM 0 HG13 VAL A 75 9.257 18.910 -19.132 1.00 33.43 H new ATOM 0 HG21 VAL A 75 6.628 19.406 -20.669 1.00 1.11 H new ATOM 0 HG22 VAL A 75 7.778 18.111 -21.081 1.00 1.11 H new ATOM 0 HG23 VAL A 75 6.075 17.716 -20.745 1.00 1.11 H new ATOM 1159 N VAL A 76 6.236 16.093 -16.837 1.00 73.31 N ATOM 1160 CA VAL A 76 5.931 15.799 -15.442 1.00 13.42 C ATOM 1161 C VAL A 76 6.813 14.675 -14.911 1.00 71.02 C ATOM 1162 O VAL A 76 7.420 14.798 -13.848 1.00 72.32 O ATOM 1163 CB VAL A 76 4.453 15.406 -15.261 1.00 55.11 C ATOM 1164 CG1 VAL A 76 4.114 15.265 -13.785 1.00 20.21 C ATOM 1165 CG2 VAL A 76 3.544 16.427 -15.929 1.00 44.24 C ATOM 0 H VAL A 76 5.444 15.991 -17.472 1.00 73.31 H new ATOM 0 HA VAL A 76 6.129 16.710 -14.877 1.00 13.42 H new ATOM 0 HB VAL A 76 4.292 14.440 -15.740 1.00 55.11 H new ATOM 0 HG11 VAL A 76 3.066 14.987 -13.677 1.00 20.21 H new ATOM 0 HG12 VAL A 76 4.742 14.493 -13.340 1.00 20.21 H new ATOM 0 HG13 VAL A 76 4.292 16.214 -13.279 1.00 20.21 H new ATOM 0 HG21 VAL A 76 2.503 16.133 -15.791 1.00 44.24 H new ATOM 0 HG22 VAL A 76 3.707 17.407 -15.481 1.00 44.24 H new ATOM 0 HG23 VAL A 76 3.770 16.473 -16.994 1.00 44.24 H new ATOM 1175 N ASN A 77 6.879 13.579 -15.660 1.00 23.22 N ATOM 1176 CA ASN A 77 7.688 12.431 -15.265 1.00 11.23 C ATOM 1177 C ASN A 77 9.173 12.720 -15.457 1.00 45.40 C ATOM 1178 O ASN A 77 10.021 12.157 -14.764 1.00 44.33 O ATOM 1179 CB ASN A 77 7.288 11.196 -16.075 1.00 2.23 C ATOM 1180 CG ASN A 77 8.138 11.021 -17.319 1.00 32.24 C ATOM 1181 OD1 ASN A 77 9.276 10.558 -17.246 1.00 4.41 O ATOM 1182 ND2 ASN A 77 7.586 11.391 -18.469 1.00 23.34 N ATOM 0 H ASN A 77 6.382 13.461 -16.543 1.00 23.22 H new ATOM 0 HA ASN A 77 7.508 12.238 -14.208 1.00 11.23 H new ATOM 0 HB2 ASN A 77 7.379 10.309 -15.448 1.00 2.23 H new ATOM 0 HB3 ASN A 77 6.240 11.277 -16.363 1.00 2.23 H new ATOM 0 HD21 ASN A 77 8.109 11.296 -19.340 1.00 23.34 H new ATOM 0 HD22 ASN A 77 6.639 11.770 -18.482 1.00 23.34 H new ATOM 1189 N PHE A 78 9.481 13.602 -16.402 1.00 44.41 N ATOM 1190 CA PHE A 78 10.865 13.967 -16.686 1.00 75.34 C ATOM 1191 C PHE A 78 11.475 14.736 -15.519 1.00 3.13 C ATOM 1192 O PHE A 78 12.469 14.307 -14.931 1.00 41.54 O ATOM 1193 CB PHE A 78 10.941 14.808 -17.962 1.00 13.41 C ATOM 1194 CG PHE A 78 11.393 14.033 -19.166 1.00 22.42 C ATOM 1195 CD1 PHE A 78 10.742 12.869 -19.541 1.00 63.52 C ATOM 1196 CD2 PHE A 78 12.470 14.467 -19.922 1.00 11.31 C ATOM 1197 CE1 PHE A 78 11.156 12.152 -20.649 1.00 11.52 C ATOM 1198 CE2 PHE A 78 12.888 13.756 -21.031 1.00 33.34 C ATOM 1199 CZ PHE A 78 12.231 12.596 -21.394 1.00 13.32 C ATOM 0 H PHE A 78 8.792 14.077 -16.984 1.00 44.41 H new ATOM 0 HA PHE A 78 11.435 13.049 -16.830 1.00 75.34 H new ATOM 0 HB2 PHE A 78 9.959 15.237 -18.164 1.00 13.41 H new ATOM 0 HB3 PHE A 78 11.625 15.641 -17.798 1.00 13.41 H new ATOM 0 HD1 PHE A 78 9.901 12.517 -18.961 1.00 63.52 H new ATOM 0 HD2 PHE A 78 12.989 15.372 -19.641 1.00 11.31 H new ATOM 0 HE1 PHE A 78 10.640 11.246 -20.931 1.00 11.52 H new ATOM 0 HE2 PHE A 78 13.727 14.107 -21.613 1.00 33.34 H new ATOM 0 HZ PHE A 78 12.557 12.037 -22.259 1.00 13.32 H new ATOM 1209 N ILE A 79 10.874 15.874 -15.189 1.00 10.02 N ATOM 1210 CA ILE A 79 11.358 16.703 -14.092 1.00 33.13 C ATOM 1211 C ILE A 79 11.347 15.933 -12.775 1.00 44.43 C ATOM 1212 O ILE A 79 12.040 16.297 -11.825 1.00 10.53 O ATOM 1213 CB ILE A 79 10.510 17.979 -13.934 1.00 40.11 C ATOM 1214 CG1 ILE A 79 10.460 18.751 -15.254 1.00 64.13 C ATOM 1215 CG2 ILE A 79 11.072 18.854 -12.823 1.00 54.15 C ATOM 1216 CD1 ILE A 79 9.631 20.014 -15.185 1.00 73.21 C ATOM 0 H ILE A 79 10.051 16.243 -15.666 1.00 10.02 H new ATOM 0 HA ILE A 79 12.382 16.985 -14.337 1.00 33.13 H new ATOM 0 HB ILE A 79 9.494 17.691 -13.665 1.00 40.11 H new ATOM 0 HG12 ILE A 79 11.476 19.009 -15.553 1.00 64.13 H new ATOM 0 HG13 ILE A 79 10.054 18.102 -16.030 1.00 64.13 H new ATOM 0 HG21 ILE A 79 10.462 19.752 -12.723 1.00 54.15 H new ATOM 0 HG22 ILE A 79 11.060 18.301 -11.884 1.00 54.15 H new ATOM 0 HG23 ILE A 79 12.097 19.136 -13.065 1.00 54.15 H new ATOM 0 HD11 ILE A 79 9.641 20.509 -16.156 1.00 73.21 H new ATOM 0 HD12 ILE A 79 8.605 19.762 -14.917 1.00 73.21 H new ATOM 0 HD13 ILE A 79 10.049 20.683 -14.433 1.00 73.21 H new ATOM 1228 N LYS A 80 10.558 14.866 -12.727 1.00 21.42 N ATOM 1229 CA LYS A 80 10.459 14.041 -11.528 1.00 73.15 C ATOM 1230 C LYS A 80 11.681 13.140 -11.385 1.00 60.22 C ATOM 1231 O LYS A 80 12.206 12.958 -10.286 1.00 42.25 O ATOM 1232 CB LYS A 80 9.187 13.190 -11.574 1.00 3.21 C ATOM 1233 CG LYS A 80 7.940 13.937 -11.133 1.00 60.42 C ATOM 1234 CD LYS A 80 6.676 13.187 -11.520 1.00 11.23 C ATOM 1235 CE LYS A 80 6.600 11.831 -10.835 1.00 2.45 C ATOM 1236 NZ LYS A 80 7.091 10.736 -11.716 1.00 54.23 N ATOM 0 H LYS A 80 9.977 14.551 -13.504 1.00 21.42 H new ATOM 0 HA LYS A 80 10.415 14.704 -10.664 1.00 73.15 H new ATOM 0 HB2 LYS A 80 9.041 12.824 -12.590 1.00 3.21 H new ATOM 0 HB3 LYS A 80 9.321 12.316 -10.937 1.00 3.21 H new ATOM 0 HG2 LYS A 80 7.963 14.080 -10.053 1.00 60.42 H new ATOM 0 HG3 LYS A 80 7.929 14.928 -11.586 1.00 60.42 H new ATOM 0 HD2 LYS A 80 5.803 13.781 -11.251 1.00 11.23 H new ATOM 0 HD3 LYS A 80 6.649 13.052 -12.601 1.00 11.23 H new ATOM 0 HE2 LYS A 80 7.191 11.853 -9.919 1.00 2.45 H new ATOM 0 HE3 LYS A 80 5.569 11.628 -10.544 1.00 2.45 H new ATOM 0 HZ1 LYS A 80 7.591 10.027 -11.143 1.00 54.23 H new ATOM 0 HZ2 LYS A 80 6.284 10.288 -12.195 1.00 54.23 H new ATOM 0 HZ3 LYS A 80 7.741 11.128 -12.427 1.00 54.23 H new ATOM 1250 N LYS A 81 12.131 12.578 -12.502 1.00 54.23 N ATOM 1251 CA LYS A 81 13.293 11.698 -12.503 1.00 1.04 C ATOM 1252 C LYS A 81 14.587 12.505 -12.468 1.00 52.31 C ATOM 1253 O LYS A 81 15.601 12.048 -11.941 1.00 12.15 O ATOM 1254 CB LYS A 81 13.275 10.796 -13.739 1.00 2.02 C ATOM 1255 CG LYS A 81 13.260 11.562 -15.050 1.00 73.14 C ATOM 1256 CD LYS A 81 13.725 10.695 -16.208 1.00 24.31 C ATOM 1257 CE LYS A 81 15.014 11.224 -16.818 1.00 3.13 C ATOM 1258 NZ LYS A 81 15.943 10.123 -17.194 1.00 23.32 N ATOM 0 H LYS A 81 11.707 12.717 -13.419 1.00 54.23 H new ATOM 0 HA LYS A 81 13.248 11.078 -11.608 1.00 1.04 H new ATOM 0 HB2 LYS A 81 14.150 10.146 -13.717 1.00 2.02 H new ATOM 0 HB3 LYS A 81 12.398 10.151 -13.695 1.00 2.02 H new ATOM 0 HG2 LYS A 81 12.252 11.925 -15.248 1.00 73.14 H new ATOM 0 HG3 LYS A 81 13.904 12.437 -14.968 1.00 73.14 H new ATOM 0 HD2 LYS A 81 13.878 9.673 -15.860 1.00 24.31 H new ATOM 0 HD3 LYS A 81 12.948 10.659 -16.972 1.00 24.31 H new ATOM 0 HE2 LYS A 81 14.780 11.819 -17.701 1.00 3.13 H new ATOM 0 HE3 LYS A 81 15.506 11.888 -16.107 1.00 3.13 H new ATOM 0 HZ1 LYS A 81 16.809 10.525 -17.606 1.00 23.32 H new ATOM 0 HZ2 LYS A 81 16.187 9.570 -16.348 1.00 23.32 H new ATOM 0 HZ3 LYS A 81 15.483 9.504 -17.892 1.00 23.32 H new ATOM 1272 N ARG A 82 14.544 13.708 -13.032 1.00 72.11 N ATOM 1273 CA ARG A 82 15.713 14.579 -13.065 1.00 73.52 C ATOM 1274 C ARG A 82 15.967 15.199 -11.695 1.00 1.53 C ATOM 1275 O ARG A 82 17.108 15.490 -11.335 1.00 0.23 O ATOM 1276 CB ARG A 82 15.525 15.681 -14.109 1.00 71.33 C ATOM 1277 CG ARG A 82 14.889 16.944 -13.554 1.00 15.25 C ATOM 1278 CD ARG A 82 14.725 18.006 -14.630 1.00 60.42 C ATOM 1279 NE ARG A 82 14.217 17.445 -15.879 1.00 75.40 N ATOM 1280 CZ ARG A 82 14.998 17.011 -16.862 1.00 31.02 C ATOM 1281 NH1 ARG A 82 16.317 17.073 -16.741 1.00 52.11 N ATOM 1282 NH2 ARG A 82 14.460 16.513 -17.968 1.00 42.42 N ATOM 0 H ARG A 82 13.712 14.102 -13.472 1.00 72.11 H new ATOM 0 HA ARG A 82 16.578 13.974 -13.337 1.00 73.52 H new ATOM 0 HB2 ARG A 82 16.495 15.932 -14.539 1.00 71.33 H new ATOM 0 HB3 ARG A 82 14.906 15.299 -14.921 1.00 71.33 H new ATOM 0 HG2 ARG A 82 13.915 16.704 -13.127 1.00 15.25 H new ATOM 0 HG3 ARG A 82 15.504 17.337 -12.745 1.00 15.25 H new ATOM 0 HD2 ARG A 82 14.043 18.779 -14.276 1.00 60.42 H new ATOM 0 HD3 ARG A 82 15.685 18.488 -14.813 1.00 60.42 H new ATOM 0 HE ARG A 82 13.207 17.383 -16.003 1.00 75.40 H new ATOM 0 HH11 ARG A 82 16.734 17.455 -15.892 1.00 52.11 H new ATOM 0 HH12 ARG A 82 16.915 16.739 -17.497 1.00 52.11 H new ATOM 0 HH21 ARG A 82 13.446 16.463 -18.064 1.00 42.42 H new ATOM 0 HH22 ARG A 82 15.061 16.180 -18.722 1.00 42.42 H new ATOM 1296 N LYS A 83 14.896 15.401 -10.934 1.00 64.41 N ATOM 1297 CA LYS A 83 15.002 15.986 -9.603 1.00 11.20 C ATOM 1298 C LYS A 83 15.161 14.901 -8.543 1.00 2.45 C ATOM 1299 O LYS A 83 16.112 14.917 -7.762 1.00 44.44 O ATOM 1300 CB LYS A 83 13.766 16.835 -9.297 1.00 51.34 C ATOM 1301 CG LYS A 83 14.039 17.986 -8.344 1.00 50.14 C ATOM 1302 CD LYS A 83 14.472 17.486 -6.976 1.00 52.43 C ATOM 1303 CE LYS A 83 14.464 18.605 -5.946 1.00 51.31 C ATOM 1304 NZ LYS A 83 13.085 18.921 -5.481 1.00 0.22 N ATOM 0 H LYS A 83 13.944 15.168 -11.217 1.00 64.41 H new ATOM 0 HA LYS A 83 15.887 16.622 -9.582 1.00 11.20 H new ATOM 0 HB2 LYS A 83 13.369 17.234 -10.231 1.00 51.34 H new ATOM 0 HB3 LYS A 83 12.993 16.196 -8.870 1.00 51.34 H new ATOM 0 HG2 LYS A 83 14.815 18.628 -8.760 1.00 50.14 H new ATOM 0 HG3 LYS A 83 13.141 18.596 -8.242 1.00 50.14 H new ATOM 0 HD2 LYS A 83 13.806 16.687 -6.652 1.00 52.43 H new ATOM 0 HD3 LYS A 83 15.473 17.059 -7.043 1.00 52.43 H new ATOM 0 HE2 LYS A 83 15.078 18.317 -5.093 1.00 51.31 H new ATOM 0 HE3 LYS A 83 14.916 19.499 -6.377 1.00 51.31 H new ATOM 0 HZ1 LYS A 83 13.127 19.653 -4.743 1.00 0.22 H new ATOM 0 HZ2 LYS A 83 12.520 19.268 -6.282 1.00 0.22 H new ATOM 0 HZ3 LYS A 83 12.644 18.063 -5.093 1.00 0.22 H new ATOM 1318 N GLY A 84 14.224 13.959 -8.521 1.00 32.31 N ATOM 1319 CA GLY A 84 14.280 12.879 -7.553 1.00 71.21 C ATOM 1320 C GLY A 84 14.245 13.380 -6.123 1.00 34.42 C ATOM 1321 O GLY A 84 14.358 14.580 -5.876 1.00 12.13 O ATOM 0 H GLY A 84 13.427 13.924 -9.156 1.00 32.31 H new ATOM 0 HA2 GLY A 84 13.441 12.203 -7.719 1.00 71.21 H new ATOM 0 HA3 GLY A 84 15.191 12.301 -7.710 1.00 71.21 H new