USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 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 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 12 ASN : amide:sc= -0.0935 K(o=-0.093,f=-5.1!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -35:sc= 1.06 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.096) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= 0.397 (180deg=0.363) USER MOD Single : A 38 ASN : amide:sc= -0.263 K(o=-0.26,f=-1.1) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= -0.0391 (180deg=-0.304) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0368 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 7.916 -3.142 3.275 1.00 2.35 N ATOM 21 CA ILE A 2 6.931 -3.044 2.209 1.00 52.41 C ATOM 22 C ILE A 2 7.550 -3.490 0.893 1.00 62.40 C ATOM 23 O ILE A 2 8.700 -3.160 0.595 1.00 43.12 O ATOM 24 CB ILE A 2 6.383 -1.609 2.055 1.00 71.01 C ATOM 25 CG1 ILE A 2 5.850 -1.090 3.395 1.00 34.22 C ATOM 26 CG2 ILE A 2 5.291 -1.564 0.997 1.00 52.54 C ATOM 27 CD1 ILE A 2 5.308 0.323 3.334 1.00 1.43 C ATOM 0 HA ILE A 2 6.098 -3.694 2.474 1.00 52.41 H new ATOM 0 HB ILE A 2 7.201 -0.963 1.735 1.00 71.01 H new ATOM 0 HG12 ILE A 2 5.061 -1.757 3.744 1.00 34.22 H new ATOM 0 HG13 ILE A 2 6.651 -1.130 4.133 1.00 34.22 H new ATOM 0 HG21 ILE A 2 4.917 -0.544 0.903 1.00 52.54 H new ATOM 0 HG22 ILE A 2 5.698 -1.891 0.040 1.00 52.54 H new ATOM 0 HG23 ILE A 2 4.474 -2.224 1.289 1.00 52.54 H new ATOM 0 HD11 ILE A 2 4.950 0.618 4.320 1.00 1.43 H new ATOM 0 HD12 ILE A 2 6.099 1.003 3.017 1.00 1.43 H new ATOM 0 HD13 ILE A 2 4.485 0.366 2.621 1.00 1.43 H new ATOM 39 N PHE A 3 6.789 -4.247 0.120 1.00 24.25 N ATOM 40 CA PHE A 3 7.261 -4.769 -1.154 1.00 4.11 C ATOM 41 C PHE A 3 6.388 -4.267 -2.301 1.00 1.40 C ATOM 42 O PHE A 3 5.214 -3.950 -2.104 1.00 64.52 O ATOM 43 CB PHE A 3 7.258 -6.302 -1.137 1.00 63.53 C ATOM 44 CG PHE A 3 8.184 -6.901 -0.116 1.00 73.24 C ATOM 45 CD1 PHE A 3 9.558 -6.799 -0.261 1.00 63.33 C ATOM 46 CD2 PHE A 3 7.677 -7.573 0.985 1.00 22.22 C ATOM 47 CE1 PHE A 3 10.410 -7.354 0.674 1.00 3.30 C ATOM 48 CE2 PHE A 3 8.524 -8.130 1.922 1.00 70.04 C ATOM 49 CZ PHE A 3 9.892 -8.021 1.767 1.00 51.31 C ATOM 0 H PHE A 3 5.833 -4.516 0.354 1.00 24.25 H new ATOM 0 HA PHE A 3 8.280 -4.414 -1.307 1.00 4.11 H new ATOM 0 HB2 PHE A 3 6.244 -6.652 -0.943 1.00 63.53 H new ATOM 0 HB3 PHE A 3 7.537 -6.667 -2.125 1.00 63.53 H new ATOM 0 HD1 PHE A 3 9.968 -6.280 -1.115 1.00 63.33 H new ATOM 0 HD2 PHE A 3 6.608 -7.662 1.111 1.00 22.22 H new ATOM 0 HE1 PHE A 3 11.479 -7.267 0.551 1.00 3.30 H new ATOM 0 HE2 PHE A 3 8.117 -8.651 2.776 1.00 70.04 H new ATOM 0 HZ PHE A 3 10.556 -8.457 2.499 1.00 51.31 H new ATOM 59 N PRO A 4 6.955 -4.174 -3.515 1.00 53.03 N ATOM 60 CA PRO A 4 6.204 -3.780 -4.709 1.00 2.21 C ATOM 61 C PRO A 4 5.122 -4.799 -5.049 1.00 74.32 C ATOM 62 O PRO A 4 5.381 -6.004 -5.098 1.00 62.24 O ATOM 63 CB PRO A 4 7.266 -3.733 -5.819 1.00 35.33 C ATOM 64 CG PRO A 4 8.576 -3.693 -5.106 1.00 12.35 C ATOM 65 CD PRO A 4 8.369 -4.436 -3.818 1.00 63.30 C ATOM 0 HA PRO A 4 5.687 -2.830 -4.573 1.00 2.21 H new ATOM 0 HB2 PRO A 4 7.197 -4.607 -6.467 1.00 35.33 H new ATOM 0 HB3 PRO A 4 7.135 -2.855 -6.452 1.00 35.33 H new ATOM 0 HG2 PRO A 4 9.360 -4.159 -5.703 1.00 12.35 H new ATOM 0 HG3 PRO A 4 8.887 -2.665 -4.918 1.00 12.35 H new ATOM 0 HD2 PRO A 4 8.568 -5.502 -3.929 1.00 63.30 H new ATOM 0 HD3 PRO A 4 9.026 -4.070 -3.029 1.00 63.30 H new ATOM 73 N GLY A 5 3.912 -4.315 -5.276 1.00 32.31 N ATOM 74 CA GLY A 5 2.799 -5.196 -5.563 1.00 34.12 C ATOM 75 C GLY A 5 1.882 -5.365 -4.370 1.00 74.03 C ATOM 76 O GLY A 5 0.768 -5.872 -4.502 1.00 33.22 O ATOM 0 H GLY A 5 3.679 -3.322 -5.267 1.00 32.31 H new ATOM 0 HA2 GLY A 5 2.230 -4.798 -6.403 1.00 34.12 H new ATOM 0 HA3 GLY A 5 3.179 -6.171 -5.868 1.00 34.12 H new ATOM 80 N ALA A 6 2.349 -4.933 -3.205 1.00 1.22 N ATOM 81 CA ALA A 6 1.582 -5.070 -1.976 1.00 31.24 C ATOM 82 C ALA A 6 0.620 -3.905 -1.794 1.00 64.00 C ATOM 83 O ALA A 6 0.873 -2.792 -2.264 1.00 62.13 O ATOM 84 CB ALA A 6 2.514 -5.180 -0.778 1.00 32.21 C ATOM 0 H ALA A 6 3.257 -4.484 -3.087 1.00 1.22 H new ATOM 0 HA ALA A 6 0.993 -5.984 -2.048 1.00 31.24 H new ATOM 0 HB1 ALA A 6 1.925 -5.282 0.133 1.00 32.21 H new ATOM 0 HB2 ALA A 6 3.155 -6.054 -0.895 1.00 32.21 H new ATOM 0 HB3 ALA A 6 3.130 -4.283 -0.713 1.00 32.21 H new ATOM 90 N THR A 7 -0.489 -4.175 -1.122 1.00 14.30 N ATOM 91 CA THR A 7 -1.478 -3.154 -0.829 1.00 11.52 C ATOM 92 C THR A 7 -1.120 -2.443 0.474 1.00 53.12 C ATOM 93 O THR A 7 -0.844 -3.086 1.489 1.00 2.34 O ATOM 94 CB THR A 7 -2.883 -3.768 -0.703 1.00 61.32 C ATOM 95 OG1 THR A 7 -3.100 -4.721 -1.758 1.00 13.30 O ATOM 96 CG2 THR A 7 -3.957 -2.692 -0.762 1.00 72.00 C ATOM 0 H THR A 7 -0.726 -5.102 -0.768 1.00 14.30 H new ATOM 0 HA THR A 7 -1.481 -2.439 -1.652 1.00 11.52 H new ATOM 0 HB THR A 7 -2.947 -4.270 0.263 1.00 61.32 H new ATOM 0 HG1 THR A 7 -3.996 -5.108 -1.670 1.00 13.30 H new ATOM 0 HG21 THR A 7 -4.940 -3.154 -0.671 1.00 72.00 H new ATOM 0 HG22 THR A 7 -3.810 -1.986 0.056 1.00 72.00 H new ATOM 0 HG23 THR A 7 -3.891 -2.164 -1.713 1.00 72.00 H new ATOM 104 N VAL A 8 -1.115 -1.120 0.441 1.00 53.23 N ATOM 105 CA VAL A 8 -0.767 -0.330 1.606 1.00 44.42 C ATOM 106 C VAL A 8 -1.829 0.722 1.875 1.00 32.03 C ATOM 107 O VAL A 8 -2.529 1.162 0.962 1.00 63.24 O ATOM 108 CB VAL A 8 0.602 0.365 1.443 1.00 71.33 C ATOM 109 CG1 VAL A 8 1.722 -0.661 1.407 1.00 73.41 C ATOM 110 CG2 VAL A 8 0.627 1.238 0.194 1.00 51.42 C ATOM 0 H VAL A 8 -1.350 -0.570 -0.386 1.00 53.23 H new ATOM 0 HA VAL A 8 -0.707 -1.019 2.449 1.00 44.42 H new ATOM 0 HB VAL A 8 0.758 1.012 2.306 1.00 71.33 H new ATOM 0 HG11 VAL A 8 2.679 -0.151 1.292 1.00 73.41 H new ATOM 0 HG12 VAL A 8 1.724 -1.230 2.336 1.00 73.41 H new ATOM 0 HG13 VAL A 8 1.568 -1.338 0.567 1.00 73.41 H new ATOM 0 HG21 VAL A 8 1.603 1.716 0.103 1.00 51.42 H new ATOM 0 HG22 VAL A 8 0.442 0.621 -0.685 1.00 51.42 H new ATOM 0 HG23 VAL A 8 -0.146 2.003 0.269 1.00 51.42 H new ATOM 120 N ARG A 9 -1.956 1.101 3.130 1.00 31.15 N ATOM 121 CA ARG A 9 -2.863 2.163 3.517 1.00 2.33 C ATOM 122 C ARG A 9 -2.057 3.375 3.957 1.00 42.13 C ATOM 123 O ARG A 9 -1.041 3.236 4.642 1.00 41.34 O ATOM 124 CB ARG A 9 -3.781 1.697 4.645 1.00 32.15 C ATOM 125 CG ARG A 9 -4.780 2.750 5.097 1.00 15.41 C ATOM 126 CD ARG A 9 -5.577 2.281 6.302 1.00 63.33 C ATOM 127 NE ARG A 9 -6.329 1.063 6.021 1.00 15.34 N ATOM 128 CZ ARG A 9 -6.205 -0.062 6.726 1.00 41.35 C ATOM 129 NH1 ARG A 9 -5.301 -0.153 7.696 1.00 73.12 N ATOM 130 NH2 ARG A 9 -6.975 -1.106 6.446 1.00 64.05 N ATOM 0 H ARG A 9 -1.439 0.686 3.905 1.00 31.15 H new ATOM 0 HA ARG A 9 -3.485 2.433 2.664 1.00 2.33 H new ATOM 0 HB2 ARG A 9 -4.325 0.811 4.316 1.00 32.15 H new ATOM 0 HB3 ARG A 9 -3.171 1.398 5.498 1.00 32.15 H new ATOM 0 HG2 ARG A 9 -4.252 3.671 5.345 1.00 15.41 H new ATOM 0 HG3 ARG A 9 -5.460 2.983 4.278 1.00 15.41 H new ATOM 0 HD2 ARG A 9 -4.900 2.104 7.138 1.00 63.33 H new ATOM 0 HD3 ARG A 9 -6.265 3.068 6.610 1.00 63.33 H new ATOM 0 HE ARG A 9 -6.987 1.072 5.241 1.00 15.34 H new ATOM 0 HH11 ARG A 9 -4.696 0.641 7.906 1.00 73.12 H new ATOM 0 HH12 ARG A 9 -5.212 -1.017 8.231 1.00 73.12 H new ATOM 0 HH21 ARG A 9 -7.660 -1.047 5.693 1.00 64.05 H new ATOM 0 HH22 ARG A 9 -6.882 -1.967 6.984 1.00 64.05 H new ATOM 144 N VAL A 10 -2.489 4.553 3.546 1.00 41.44 N ATOM 145 CA VAL A 10 -1.790 5.779 3.898 1.00 65.33 C ATOM 146 C VAL A 10 -2.076 6.170 5.345 1.00 4.12 C ATOM 147 O VAL A 10 -3.213 6.498 5.701 1.00 70.54 O ATOM 148 CB VAL A 10 -2.181 6.941 2.962 1.00 2.34 C ATOM 149 CG1 VAL A 10 -1.389 8.198 3.292 1.00 14.21 C ATOM 150 CG2 VAL A 10 -1.975 6.545 1.509 1.00 14.34 C ATOM 0 H VAL A 10 -3.319 4.689 2.969 1.00 41.44 H new ATOM 0 HA VAL A 10 -0.723 5.586 3.783 1.00 65.33 H new ATOM 0 HB VAL A 10 -3.238 7.159 3.116 1.00 2.34 H new ATOM 0 HG11 VAL A 10 -1.684 9.002 2.617 1.00 14.21 H new ATOM 0 HG12 VAL A 10 -1.591 8.496 4.321 1.00 14.21 H new ATOM 0 HG13 VAL A 10 -0.324 7.998 3.174 1.00 14.21 H new ATOM 0 HG21 VAL A 10 -2.256 7.376 0.862 1.00 14.34 H new ATOM 0 HG22 VAL A 10 -0.927 6.295 1.345 1.00 14.34 H new ATOM 0 HG23 VAL A 10 -2.595 5.679 1.277 1.00 14.34 H new ATOM 160 N THR A 11 -1.044 6.112 6.176 1.00 1.25 N ATOM 161 CA THR A 11 -1.151 6.516 7.568 1.00 60.21 C ATOM 162 C THR A 11 -0.664 7.951 7.749 1.00 63.20 C ATOM 163 O THR A 11 -0.630 8.481 8.862 1.00 65.30 O ATOM 164 CB THR A 11 -0.350 5.570 8.483 1.00 64.34 C ATOM 165 OG1 THR A 11 0.914 5.254 7.878 1.00 15.23 O ATOM 166 CG2 THR A 11 -1.127 4.289 8.754 1.00 13.35 C ATOM 0 H THR A 11 -0.116 5.786 5.905 1.00 1.25 H new ATOM 0 HA THR A 11 -2.202 6.460 7.851 1.00 60.21 H new ATOM 0 HB THR A 11 -0.179 6.077 9.433 1.00 64.34 H new ATOM 0 HG1 THR A 11 1.417 4.654 8.467 1.00 15.23 H new ATOM 0 HG21 THR A 11 -0.540 3.638 9.402 1.00 13.35 H new ATOM 0 HG22 THR A 11 -2.071 4.532 9.242 1.00 13.35 H new ATOM 0 HG23 THR A 11 -1.327 3.779 7.812 1.00 13.35 H new ATOM 174 N ASN A 12 -0.289 8.572 6.638 1.00 3.21 N ATOM 175 CA ASN A 12 0.156 9.958 6.638 1.00 65.02 C ATOM 176 C ASN A 12 -1.029 10.895 6.853 1.00 33.30 C ATOM 177 O ASN A 12 -1.935 10.966 6.025 1.00 4.02 O ATOM 178 CB ASN A 12 0.864 10.279 5.318 1.00 35.04 C ATOM 179 CG ASN A 12 1.377 11.703 5.252 1.00 42.30 C ATOM 180 OD1 ASN A 12 0.689 12.607 4.780 1.00 42.30 O ATOM 181 ND2 ASN A 12 2.591 11.909 5.732 1.00 52.25 N ATOM 0 H ASN A 12 -0.285 8.132 5.718 1.00 3.21 H new ATOM 0 HA ASN A 12 0.860 10.104 7.457 1.00 65.02 H new ATOM 0 HB2 ASN A 12 1.699 9.591 5.183 1.00 35.04 H new ATOM 0 HB3 ASN A 12 0.174 10.109 4.491 1.00 35.04 H new ATOM 0 HD21 ASN A 12 2.992 12.847 5.720 1.00 52.25 H new ATOM 0 HD22 ASN A 12 3.127 11.130 6.114 1.00 52.25 H new ATOM 188 N VAL A 13 -1.016 11.603 7.972 1.00 41.23 N ATOM 189 CA VAL A 13 -2.121 12.485 8.335 1.00 24.10 C ATOM 190 C VAL A 13 -1.869 13.900 7.814 1.00 30.20 C ATOM 191 O VAL A 13 -2.743 14.772 7.869 1.00 4.12 O ATOM 192 CB VAL A 13 -2.331 12.519 9.867 1.00 34.34 C ATOM 193 CG1 VAL A 13 -3.635 13.216 10.233 1.00 63.14 C ATOM 194 CG2 VAL A 13 -2.305 11.112 10.444 1.00 62.35 C ATOM 0 H VAL A 13 -0.252 11.586 8.647 1.00 41.23 H new ATOM 0 HA VAL A 13 -3.026 12.090 7.873 1.00 24.10 H new ATOM 0 HB VAL A 13 -1.510 13.090 10.300 1.00 34.34 H new ATOM 0 HG11 VAL A 13 -3.752 13.223 11.317 1.00 63.14 H new ATOM 0 HG12 VAL A 13 -3.616 14.241 9.864 1.00 63.14 H new ATOM 0 HG13 VAL A 13 -4.472 12.683 9.781 1.00 63.14 H new ATOM 0 HG21 VAL A 13 -2.454 11.158 11.523 1.00 62.35 H new ATOM 0 HG22 VAL A 13 -3.100 10.519 9.993 1.00 62.35 H new ATOM 0 HG23 VAL A 13 -1.341 10.649 10.231 1.00 62.35 H new ATOM 204 N ASP A 14 -0.665 14.119 7.303 1.00 41.14 N ATOM 205 CA ASP A 14 -0.298 15.409 6.725 1.00 63.34 C ATOM 206 C ASP A 14 -1.125 15.693 5.476 1.00 34.24 C ATOM 207 O ASP A 14 -1.529 16.832 5.227 1.00 64.22 O ATOM 208 CB ASP A 14 1.196 15.447 6.390 1.00 64.35 C ATOM 209 CG ASP A 14 1.579 16.694 5.617 1.00 14.54 C ATOM 210 OD1 ASP A 14 1.544 17.798 6.198 1.00 12.24 O ATOM 211 OD2 ASP A 14 1.934 16.571 4.426 1.00 63.31 O ATOM 0 H ASP A 14 0.077 13.420 7.276 1.00 41.14 H new ATOM 0 HA ASP A 14 -0.507 16.183 7.464 1.00 63.34 H new ATOM 0 HB2 ASP A 14 1.775 15.402 7.313 1.00 64.35 H new ATOM 0 HB3 ASP A 14 1.458 14.565 5.806 1.00 64.35 H new ATOM 216 N ASP A 15 -1.380 14.654 4.695 1.00 32.12 N ATOM 217 CA ASP A 15 -2.195 14.789 3.495 1.00 24.44 C ATOM 218 C ASP A 15 -3.596 14.230 3.752 1.00 34.34 C ATOM 219 O ASP A 15 -3.853 13.645 4.804 1.00 60.23 O ATOM 220 CB ASP A 15 -1.530 14.084 2.308 1.00 43.13 C ATOM 221 CG ASP A 15 -2.143 14.495 0.984 1.00 72.23 C ATOM 222 OD1 ASP A 15 -1.826 15.595 0.488 1.00 2.12 O ATOM 223 OD2 ASP A 15 -2.960 13.730 0.439 1.00 51.51 O ATOM 0 H ASP A 15 -1.036 13.710 4.869 1.00 32.12 H new ATOM 0 HA ASP A 15 -2.285 15.846 3.245 1.00 24.44 H new ATOM 0 HB2 ASP A 15 -0.465 14.314 2.301 1.00 43.13 H new ATOM 0 HB3 ASP A 15 -1.622 13.005 2.430 1.00 43.13 H new ATOM 228 N THR A 16 -4.499 14.401 2.796 1.00 23.11 N ATOM 229 CA THR A 16 -5.899 14.061 2.997 1.00 23.13 C ATOM 230 C THR A 16 -6.187 12.603 2.626 1.00 41.32 C ATOM 231 O THR A 16 -7.245 12.070 2.958 1.00 71.30 O ATOM 232 CB THR A 16 -6.797 14.989 2.162 1.00 15.25 C ATOM 233 OG1 THR A 16 -6.272 16.324 2.203 1.00 44.24 O ATOM 234 CG2 THR A 16 -8.226 14.997 2.687 1.00 13.14 C ATOM 0 H THR A 16 -4.285 14.774 1.871 1.00 23.11 H new ATOM 0 HA THR A 16 -6.118 14.193 4.057 1.00 23.13 H new ATOM 0 HB THR A 16 -6.809 14.618 1.137 1.00 15.25 H new ATOM 0 HG1 THR A 16 -6.842 16.916 1.670 1.00 44.24 H new ATOM 0 HG21 THR A 16 -8.835 15.663 2.075 1.00 13.14 H new ATOM 0 HG22 THR A 16 -8.635 13.988 2.643 1.00 13.14 H new ATOM 0 HG23 THR A 16 -8.232 15.346 3.719 1.00 13.14 H new ATOM 242 N TYR A 17 -5.239 11.949 1.963 1.00 73.41 N ATOM 243 CA TYR A 17 -5.433 10.568 1.525 1.00 62.30 C ATOM 244 C TYR A 17 -5.223 9.569 2.664 1.00 73.04 C ATOM 245 O TYR A 17 -4.826 8.426 2.441 1.00 31.43 O ATOM 246 CB TYR A 17 -4.511 10.244 0.347 1.00 71.22 C ATOM 247 CG TYR A 17 -4.983 10.844 -0.960 1.00 53.14 C ATOM 248 CD1 TYR A 17 -5.980 10.230 -1.705 1.00 53.11 C ATOM 249 CD2 TYR A 17 -4.439 12.024 -1.446 1.00 64.11 C ATOM 250 CE1 TYR A 17 -6.423 10.776 -2.894 1.00 11.01 C ATOM 251 CE2 TYR A 17 -4.873 12.577 -2.635 1.00 13.03 C ATOM 252 CZ TYR A 17 -5.866 11.949 -3.354 1.00 54.33 C ATOM 253 OH TYR A 17 -6.306 12.499 -4.537 1.00 61.52 O ATOM 0 H TYR A 17 -4.333 12.348 1.717 1.00 73.41 H new ATOM 0 HA TYR A 17 -6.469 10.473 1.199 1.00 62.30 H new ATOM 0 HB2 TYR A 17 -3.508 10.611 0.567 1.00 71.22 H new ATOM 0 HB3 TYR A 17 -4.438 9.162 0.238 1.00 71.22 H new ATOM 0 HD1 TYR A 17 -6.417 9.309 -1.349 1.00 53.11 H new ATOM 0 HD2 TYR A 17 -3.661 12.520 -0.884 1.00 64.11 H new ATOM 0 HE1 TYR A 17 -7.202 10.286 -3.460 1.00 11.01 H new ATOM 0 HE2 TYR A 17 -4.437 13.496 -2.999 1.00 13.03 H new ATOM 0 HH TYR A 17 -6.536 11.783 -5.165 1.00 61.52 H new ATOM 263 N TYR A 18 -5.530 9.992 3.880 1.00 43.53 N ATOM 264 CA TYR A 18 -5.477 9.111 5.031 1.00 31.32 C ATOM 265 C TYR A 18 -6.614 8.093 4.945 1.00 31.25 C ATOM 266 O TYR A 18 -7.733 8.442 4.562 1.00 61.31 O ATOM 267 CB TYR A 18 -5.577 9.934 6.321 1.00 35.13 C ATOM 268 CG TYR A 18 -5.495 9.115 7.590 1.00 75.40 C ATOM 269 CD1 TYR A 18 -4.286 8.588 8.026 1.00 32.54 C ATOM 270 CD2 TYR A 18 -6.630 8.870 8.351 1.00 45.22 C ATOM 271 CE1 TYR A 18 -4.211 7.839 9.184 1.00 64.12 C ATOM 272 CE2 TYR A 18 -6.564 8.121 9.509 1.00 25.45 C ATOM 273 CZ TYR A 18 -5.352 7.609 9.921 1.00 65.32 C ATOM 274 OH TYR A 18 -5.283 6.860 11.073 1.00 63.13 O ATOM 0 H TYR A 18 -5.820 10.946 4.094 1.00 43.53 H new ATOM 0 HA TYR A 18 -4.528 8.575 5.041 1.00 31.32 H new ATOM 0 HB2 TYR A 18 -4.777 10.675 6.328 1.00 35.13 H new ATOM 0 HB3 TYR A 18 -6.519 10.482 6.316 1.00 35.13 H new ATOM 0 HD1 TYR A 18 -3.390 8.767 7.450 1.00 32.54 H new ATOM 0 HD2 TYR A 18 -7.580 9.272 8.032 1.00 45.22 H new ATOM 0 HE1 TYR A 18 -3.263 7.436 9.510 1.00 64.12 H new ATOM 0 HE2 TYR A 18 -7.457 7.937 10.089 1.00 25.45 H new ATOM 0 HH TYR A 18 -6.175 6.793 11.474 1.00 63.13 H new ATOM 284 N ARG A 19 -6.308 6.837 5.280 1.00 50.51 N ATOM 285 CA ARG A 19 -7.277 5.733 5.212 1.00 50.51 C ATOM 286 C ARG A 19 -7.615 5.355 3.772 1.00 5.53 C ATOM 287 O ARG A 19 -8.641 4.720 3.515 1.00 50.32 O ATOM 288 CB ARG A 19 -8.575 6.050 5.965 1.00 63.23 C ATOM 289 CG ARG A 19 -8.493 5.869 7.470 1.00 41.30 C ATOM 290 CD ARG A 19 -9.881 5.914 8.089 1.00 54.11 C ATOM 291 NE ARG A 19 -9.865 5.677 9.531 1.00 74.32 N ATOM 292 CZ ARG A 19 -10.544 4.700 10.129 1.00 41.43 C ATOM 293 NH1 ARG A 19 -11.188 3.791 9.405 1.00 15.41 N ATOM 294 NH2 ARG A 19 -10.546 4.607 11.450 1.00 44.35 N ATOM 0 H ARG A 19 -5.384 6.554 5.606 1.00 50.51 H new ATOM 0 HA ARG A 19 -6.790 4.887 5.696 1.00 50.51 H new ATOM 0 HB2 ARG A 19 -8.861 7.080 5.751 1.00 63.23 H new ATOM 0 HB3 ARG A 19 -9.369 5.411 5.578 1.00 63.23 H new ATOM 0 HG2 ARG A 19 -8.016 4.917 7.702 1.00 41.30 H new ATOM 0 HG3 ARG A 19 -7.870 6.652 7.903 1.00 41.30 H new ATOM 0 HD2 ARG A 19 -10.331 6.886 7.890 1.00 54.11 H new ATOM 0 HD3 ARG A 19 -10.512 5.166 7.609 1.00 54.11 H new ATOM 0 HE ARG A 19 -9.301 6.296 10.113 1.00 74.32 H new ATOM 0 HH11 ARG A 19 -11.164 3.840 8.386 1.00 15.41 H new ATOM 0 HH12 ARG A 19 -11.707 3.045 9.868 1.00 15.41 H new ATOM 0 HH21 ARG A 19 -10.027 5.284 12.010 1.00 44.35 H new ATOM 0 HH22 ARG A 19 -11.066 3.859 11.908 1.00 44.35 H new ATOM 308 N PHE A 20 -6.768 5.744 2.830 1.00 23.45 N ATOM 309 CA PHE A 20 -6.938 5.309 1.455 1.00 23.01 C ATOM 310 C PHE A 20 -6.116 4.063 1.186 1.00 4.44 C ATOM 311 O PHE A 20 -5.065 3.852 1.798 1.00 3.23 O ATOM 312 CB PHE A 20 -6.561 6.408 0.467 1.00 13.25 C ATOM 313 CG PHE A 20 -7.666 7.393 0.205 1.00 1.23 C ATOM 314 CD1 PHE A 20 -7.963 8.389 1.120 1.00 12.10 C ATOM 315 CD2 PHE A 20 -8.405 7.321 -0.965 1.00 42.34 C ATOM 316 CE1 PHE A 20 -8.977 9.294 0.875 1.00 31.14 C ATOM 317 CE2 PHE A 20 -9.421 8.223 -1.215 1.00 44.21 C ATOM 318 CZ PHE A 20 -9.706 9.212 -0.294 1.00 41.21 C ATOM 0 H PHE A 20 -5.966 6.353 2.991 1.00 23.45 H new ATOM 0 HA PHE A 20 -7.994 5.078 1.313 1.00 23.01 H new ATOM 0 HB2 PHE A 20 -5.692 6.944 0.848 1.00 13.25 H new ATOM 0 HB3 PHE A 20 -6.264 5.950 -0.476 1.00 13.25 H new ATOM 0 HD1 PHE A 20 -7.395 8.459 2.036 1.00 12.10 H new ATOM 0 HD2 PHE A 20 -8.184 6.551 -1.690 1.00 42.34 H new ATOM 0 HE1 PHE A 20 -9.199 10.065 1.598 1.00 31.14 H new ATOM 0 HE2 PHE A 20 -9.992 8.155 -2.129 1.00 44.21 H new ATOM 0 HZ PHE A 20 -10.498 9.920 -0.488 1.00 41.21 H new ATOM 328 N GLU A 21 -6.604 3.256 0.264 1.00 34.50 N ATOM 329 CA GLU A 21 -5.982 1.984 -0.061 1.00 34.03 C ATOM 330 C GLU A 21 -5.219 2.116 -1.374 1.00 14.52 C ATOM 331 O GLU A 21 -5.804 2.468 -2.405 1.00 73.11 O ATOM 332 CB GLU A 21 -7.048 0.889 -0.194 1.00 50.04 C ATOM 333 CG GLU A 21 -8.110 0.907 0.902 1.00 4.04 C ATOM 334 CD GLU A 21 -7.583 0.517 2.271 1.00 45.33 C ATOM 335 OE1 GLU A 21 -7.420 -0.696 2.523 1.00 54.41 O ATOM 336 OE2 GLU A 21 -7.373 1.410 3.117 1.00 71.11 O ATOM 0 H GLU A 21 -7.441 3.462 -0.281 1.00 34.50 H new ATOM 0 HA GLU A 21 -5.294 1.710 0.739 1.00 34.03 H new ATOM 0 HB2 GLU A 21 -7.540 0.993 -1.161 1.00 50.04 H new ATOM 0 HB3 GLU A 21 -6.555 -0.083 -0.190 1.00 50.04 H new ATOM 0 HG2 GLU A 21 -8.542 1.906 0.960 1.00 4.04 H new ATOM 0 HG3 GLU A 21 -8.916 0.227 0.626 1.00 4.04 H new ATOM 343 N GLY A 22 -3.924 1.850 -1.340 1.00 1.54 N ATOM 344 CA GLY A 22 -3.117 1.977 -2.533 1.00 23.25 C ATOM 345 C GLY A 22 -2.241 0.767 -2.765 1.00 63.11 C ATOM 346 O GLY A 22 -2.023 -0.033 -1.856 1.00 3.15 O ATOM 0 H GLY A 22 -3.417 1.548 -0.508 1.00 1.54 H new ATOM 0 HA2 GLY A 22 -3.768 2.122 -3.395 1.00 23.25 H new ATOM 0 HA3 GLY A 22 -2.491 2.866 -2.453 1.00 23.25 H new ATOM 350 N LEU A 23 -1.740 0.625 -3.980 1.00 54.11 N ATOM 351 CA LEU A 23 -0.888 -0.502 -4.322 1.00 24.10 C ATOM 352 C LEU A 23 0.502 0.000 -4.699 1.00 44.53 C ATOM 353 O LEU A 23 0.650 0.840 -5.592 1.00 65.44 O ATOM 354 CB LEU A 23 -1.522 -1.314 -5.464 1.00 53.41 C ATOM 355 CG LEU A 23 -0.971 -2.731 -5.672 1.00 2.33 C ATOM 356 CD1 LEU A 23 -2.003 -3.595 -6.382 1.00 42.24 C ATOM 357 CD2 LEU A 23 0.318 -2.702 -6.480 1.00 44.01 C ATOM 0 H LEU A 23 -1.908 1.276 -4.747 1.00 54.11 H new ATOM 0 HA LEU A 23 -0.789 -1.161 -3.460 1.00 24.10 H new ATOM 0 HB2 LEU A 23 -2.594 -1.386 -5.279 1.00 53.41 H new ATOM 0 HB3 LEU A 23 -1.395 -0.757 -6.392 1.00 53.41 H new ATOM 0 HG LEU A 23 -0.755 -3.157 -4.692 1.00 2.33 H new ATOM 0 HD11 LEU A 23 -1.602 -4.598 -6.524 1.00 42.24 H new ATOM 0 HD12 LEU A 23 -2.909 -3.649 -5.779 1.00 42.24 H new ATOM 0 HD13 LEU A 23 -2.238 -3.157 -7.352 1.00 42.24 H new ATOM 0 HD21 LEU A 23 0.687 -3.719 -6.613 1.00 44.01 H new ATOM 0 HD22 LEU A 23 0.126 -2.255 -7.456 1.00 44.01 H new ATOM 0 HD23 LEU A 23 1.066 -2.111 -5.951 1.00 44.01 H new ATOM 369 N VAL A 24 1.511 -0.505 -4.001 1.00 33.20 N ATOM 370 CA VAL A 24 2.897 -0.105 -4.230 1.00 63.41 C ATOM 371 C VAL A 24 3.368 -0.540 -5.610 1.00 44.12 C ATOM 372 O VAL A 24 3.467 -1.730 -5.895 1.00 61.13 O ATOM 373 CB VAL A 24 3.835 -0.702 -3.160 1.00 3.42 C ATOM 374 CG1 VAL A 24 5.280 -0.294 -3.418 1.00 34.35 C ATOM 375 CG2 VAL A 24 3.399 -0.270 -1.771 1.00 31.33 C ATOM 0 H VAL A 24 1.395 -1.200 -3.263 1.00 33.20 H new ATOM 0 HA VAL A 24 2.933 0.982 -4.165 1.00 63.41 H new ATOM 0 HB VAL A 24 3.773 -1.789 -3.220 1.00 3.42 H new ATOM 0 HG11 VAL A 24 5.923 -0.726 -2.651 1.00 34.35 H new ATOM 0 HG12 VAL A 24 5.591 -0.656 -4.398 1.00 34.35 H new ATOM 0 HG13 VAL A 24 5.362 0.793 -3.390 1.00 34.35 H new ATOM 0 HG21 VAL A 24 4.071 -0.700 -1.028 1.00 31.33 H new ATOM 0 HG22 VAL A 24 3.430 0.817 -1.702 1.00 31.33 H new ATOM 0 HG23 VAL A 24 2.383 -0.617 -1.584 1.00 31.33 H new ATOM 385 N GLN A 25 3.658 0.431 -6.460 1.00 23.11 N ATOM 386 CA GLN A 25 4.116 0.149 -7.814 1.00 3.55 C ATOM 387 C GLN A 25 5.590 -0.217 -7.802 1.00 23.15 C ATOM 388 O GLN A 25 6.047 -1.064 -8.572 1.00 12.23 O ATOM 389 CB GLN A 25 3.907 1.364 -8.714 1.00 4.32 C ATOM 390 CG GLN A 25 2.453 1.781 -8.878 1.00 45.52 C ATOM 391 CD GLN A 25 1.566 0.656 -9.375 1.00 21.30 C ATOM 392 OE1 GLN A 25 1.441 0.438 -10.578 1.00 44.11 O ATOM 393 NE2 GLN A 25 0.912 -0.038 -8.454 1.00 63.45 N ATOM 0 H GLN A 25 3.585 1.424 -6.238 1.00 23.11 H new ATOM 0 HA GLN A 25 3.536 -0.688 -8.203 1.00 3.55 H new ATOM 0 HB2 GLN A 25 4.470 2.204 -8.307 1.00 4.32 H new ATOM 0 HB3 GLN A 25 4.324 1.148 -9.698 1.00 4.32 H new ATOM 0 HG2 GLN A 25 2.074 2.140 -7.921 1.00 45.52 H new ATOM 0 HG3 GLN A 25 2.397 2.616 -9.576 1.00 45.52 H new ATOM 0 HE21 GLN A 25 1.044 0.175 -7.465 1.00 63.45 H new ATOM 0 HE22 GLN A 25 0.277 -0.785 -8.734 1.00 63.45 H new ATOM 402 N ARG A 26 6.322 0.431 -6.913 1.00 30.35 N ATOM 403 CA ARG A 26 7.745 0.238 -6.793 1.00 14.31 C ATOM 404 C ARG A 26 8.214 0.839 -5.482 1.00 23.24 C ATOM 405 O ARG A 26 7.572 1.739 -4.935 1.00 53.34 O ATOM 406 CB ARG A 26 8.497 0.889 -7.963 1.00 13.21 C ATOM 407 CG ARG A 26 8.456 2.410 -7.950 1.00 45.42 C ATOM 408 CD ARG A 26 9.345 3.009 -9.031 1.00 72.42 C ATOM 409 NE ARG A 26 8.753 2.912 -10.366 1.00 20.50 N ATOM 410 CZ ARG A 26 9.120 2.016 -11.287 1.00 2.21 C ATOM 411 NH1 ARG A 26 10.052 1.113 -11.005 1.00 53.34 N ATOM 412 NH2 ARG A 26 8.568 2.036 -12.490 1.00 1.14 N ATOM 0 H ARG A 26 5.938 1.108 -6.254 1.00 30.35 H new ATOM 0 HA ARG A 26 7.956 -0.831 -6.815 1.00 14.31 H new ATOM 0 HB2 ARG A 26 9.537 0.563 -7.941 1.00 13.21 H new ATOM 0 HB3 ARG A 26 8.071 0.531 -8.900 1.00 13.21 H new ATOM 0 HG2 ARG A 26 7.430 2.747 -8.095 1.00 45.42 H new ATOM 0 HG3 ARG A 26 8.776 2.774 -6.974 1.00 45.42 H new ATOM 0 HD2 ARG A 26 9.537 4.056 -8.798 1.00 72.42 H new ATOM 0 HD3 ARG A 26 10.309 2.499 -9.027 1.00 72.42 H new ATOM 0 HE ARG A 26 8.013 3.570 -10.609 1.00 20.50 H new ATOM 0 HH11 ARG A 26 10.489 1.102 -10.084 1.00 53.34 H new ATOM 0 HH12 ARG A 26 10.330 0.430 -11.710 1.00 53.34 H new ATOM 0 HH21 ARG A 26 7.861 2.736 -12.715 1.00 1.14 H new ATOM 0 HH22 ARG A 26 8.849 1.351 -13.192 1.00 1.14 H new ATOM 426 N VAL A 27 9.309 0.321 -4.983 1.00 23.44 N ATOM 427 CA VAL A 27 9.949 0.856 -3.793 1.00 72.13 C ATOM 428 C VAL A 27 11.270 1.506 -4.181 1.00 55.34 C ATOM 429 O VAL A 27 12.107 0.883 -4.839 1.00 34.43 O ATOM 430 CB VAL A 27 10.203 -0.243 -2.734 1.00 4.35 C ATOM 431 CG1 VAL A 27 10.880 0.335 -1.501 1.00 44.32 C ATOM 432 CG2 VAL A 27 8.900 -0.928 -2.351 1.00 33.34 C ATOM 0 H VAL A 27 9.787 -0.485 -5.386 1.00 23.44 H new ATOM 0 HA VAL A 27 9.279 1.594 -3.352 1.00 72.13 H new ATOM 0 HB VAL A 27 10.870 -0.985 -3.172 1.00 4.35 H new ATOM 0 HG11 VAL A 27 11.047 -0.458 -0.772 1.00 44.32 H new ATOM 0 HG12 VAL A 27 11.836 0.776 -1.784 1.00 44.32 H new ATOM 0 HG13 VAL A 27 10.243 1.103 -1.062 1.00 44.32 H new ATOM 0 HG21 VAL A 27 9.099 -1.698 -1.605 1.00 33.34 H new ATOM 0 HG22 VAL A 27 8.210 -0.192 -1.938 1.00 33.34 H new ATOM 0 HG23 VAL A 27 8.456 -1.386 -3.235 1.00 33.34 H new ATOM 442 N SER A 28 11.449 2.755 -3.794 1.00 42.32 N ATOM 443 CA SER A 28 12.642 3.496 -4.159 1.00 71.02 C ATOM 444 C SER A 28 13.332 4.057 -2.919 1.00 2.01 C ATOM 445 O SER A 28 13.077 5.195 -2.520 1.00 41.34 O ATOM 446 CB SER A 28 12.290 4.621 -5.141 1.00 12.52 C ATOM 447 OG SER A 28 13.452 5.285 -5.611 1.00 43.30 O ATOM 0 H SER A 28 10.783 3.278 -3.226 1.00 42.32 H new ATOM 0 HA SER A 28 13.336 2.813 -4.650 1.00 71.02 H new ATOM 0 HB2 SER A 28 11.739 4.208 -5.986 1.00 12.52 H new ATOM 0 HB3 SER A 28 11.632 5.339 -4.652 1.00 12.52 H new ATOM 0 HG SER A 28 13.193 5.995 -6.235 1.00 43.30 H new ATOM 453 N ASP A 29 14.168 3.214 -2.305 1.00 13.31 N ATOM 454 CA ASP A 29 15.021 3.584 -1.169 1.00 4.31 C ATOM 455 C ASP A 29 14.314 4.489 -0.163 1.00 44.35 C ATOM 456 O ASP A 29 14.516 5.703 -0.154 1.00 41.42 O ATOM 457 CB ASP A 29 16.316 4.252 -1.651 1.00 23.51 C ATOM 458 CG ASP A 29 17.153 3.349 -2.535 1.00 52.05 C ATOM 459 OD1 ASP A 29 17.503 2.231 -2.098 1.00 21.51 O ATOM 460 OD2 ASP A 29 17.458 3.749 -3.678 1.00 42.14 O ATOM 0 H ASP A 29 14.273 2.239 -2.587 1.00 13.31 H new ATOM 0 HA ASP A 29 15.261 2.654 -0.655 1.00 4.31 H new ATOM 0 HB2 ASP A 29 16.068 5.160 -2.200 1.00 23.51 H new ATOM 0 HB3 ASP A 29 16.907 4.554 -0.786 1.00 23.51 H new ATOM 465 N GLY A 30 13.469 3.898 0.666 1.00 32.34 N ATOM 466 CA GLY A 30 12.794 4.660 1.699 1.00 13.41 C ATOM 467 C GLY A 30 11.407 5.109 1.286 1.00 71.34 C ATOM 468 O GLY A 30 10.522 5.270 2.129 1.00 34.51 O ATOM 0 H GLY A 30 13.237 2.905 0.644 1.00 32.34 H new ATOM 0 HA2 GLY A 30 12.721 4.054 2.602 1.00 13.41 H new ATOM 0 HA3 GLY A 30 13.394 5.535 1.950 1.00 13.41 H new ATOM 472 N LYS A 31 11.215 5.326 -0.005 1.00 33.00 N ATOM 473 CA LYS A 31 9.921 5.715 -0.526 1.00 43.51 C ATOM 474 C LYS A 31 9.288 4.591 -1.337 1.00 50.21 C ATOM 475 O LYS A 31 9.958 3.639 -1.729 1.00 71.12 O ATOM 476 CB LYS A 31 10.048 6.964 -1.395 1.00 63.14 C ATOM 477 CG LYS A 31 9.879 8.265 -0.629 1.00 71.24 C ATOM 478 CD LYS A 31 9.424 9.385 -1.550 1.00 62.02 C ATOM 479 CE LYS A 31 9.026 10.627 -0.772 1.00 10.23 C ATOM 480 NZ LYS A 31 8.347 11.628 -1.640 1.00 21.14 N ATOM 0 H LYS A 31 11.945 5.238 -0.712 1.00 33.00 H new ATOM 0 HA LYS A 31 9.276 5.931 0.326 1.00 43.51 H new ATOM 0 HB2 LYS A 31 11.026 6.962 -1.877 1.00 63.14 H new ATOM 0 HB3 LYS A 31 9.301 6.921 -2.188 1.00 63.14 H new ATOM 0 HG2 LYS A 31 9.151 8.128 0.170 1.00 71.24 H new ATOM 0 HG3 LYS A 31 10.823 8.538 -0.157 1.00 71.24 H new ATOM 0 HD2 LYS A 31 10.226 9.633 -2.245 1.00 62.02 H new ATOM 0 HD3 LYS A 31 8.579 9.044 -2.148 1.00 62.02 H new ATOM 0 HE2 LYS A 31 8.363 10.346 0.047 1.00 10.23 H new ATOM 0 HE3 LYS A 31 9.913 11.076 -0.325 1.00 10.23 H new ATOM 0 HZ1 LYS A 31 8.212 12.513 -1.110 1.00 21.14 H new ATOM 0 HZ2 LYS A 31 8.932 11.813 -2.480 1.00 21.14 H new ATOM 0 HZ3 LYS A 31 7.422 11.258 -1.938 1.00 21.14 H new ATOM 494 N ALA A 32 7.991 4.713 -1.571 1.00 33.43 N ATOM 495 CA ALA A 32 7.254 3.759 -2.383 1.00 71.32 C ATOM 496 C ALA A 32 6.193 4.482 -3.197 1.00 53.23 C ATOM 497 O ALA A 32 5.515 5.379 -2.691 1.00 22.31 O ATOM 498 CB ALA A 32 6.613 2.692 -1.507 1.00 5.11 C ATOM 0 H ALA A 32 7.421 5.475 -1.204 1.00 33.43 H new ATOM 0 HA ALA A 32 7.950 3.269 -3.064 1.00 71.32 H new ATOM 0 HB1 ALA A 32 6.066 1.987 -2.133 1.00 5.11 H new ATOM 0 HB2 ALA A 32 7.388 2.161 -0.955 1.00 5.11 H new ATOM 0 HB3 ALA A 32 5.925 3.163 -0.805 1.00 5.11 H new ATOM 504 N ALA A 33 6.062 4.107 -4.461 1.00 21.22 N ATOM 505 CA ALA A 33 5.089 4.734 -5.344 1.00 60.34 C ATOM 506 C ALA A 33 3.729 4.088 -5.158 1.00 64.04 C ATOM 507 O ALA A 33 3.501 2.961 -5.596 1.00 71.13 O ATOM 508 CB ALA A 33 5.544 4.629 -6.793 1.00 20.31 C ATOM 0 H ALA A 33 6.617 3.372 -4.898 1.00 21.22 H new ATOM 0 HA ALA A 33 5.008 5.791 -5.090 1.00 60.34 H new ATOM 0 HB1 ALA A 33 4.806 5.102 -7.441 1.00 20.31 H new ATOM 0 HB2 ALA A 33 6.505 5.131 -6.910 1.00 20.31 H new ATOM 0 HB3 ALA A 33 5.647 3.579 -7.067 1.00 20.31 H new ATOM 514 N VAL A 34 2.837 4.792 -4.488 1.00 21.30 N ATOM 515 CA VAL A 34 1.525 4.259 -4.171 1.00 25.14 C ATOM 516 C VAL A 34 0.512 4.638 -5.240 1.00 62.23 C ATOM 517 O VAL A 34 0.261 5.822 -5.482 1.00 45.24 O ATOM 518 CB VAL A 34 1.029 4.777 -2.805 1.00 13.32 C ATOM 519 CG1 VAL A 34 -0.310 4.157 -2.438 1.00 3.13 C ATOM 520 CG2 VAL A 34 2.059 4.502 -1.726 1.00 72.31 C ATOM 0 H VAL A 34 2.998 5.741 -4.150 1.00 21.30 H new ATOM 0 HA VAL A 34 1.620 3.174 -4.130 1.00 25.14 H new ATOM 0 HB VAL A 34 0.889 5.855 -2.883 1.00 13.32 H new ATOM 0 HG11 VAL A 34 -0.635 4.540 -1.471 1.00 3.13 H new ATOM 0 HG12 VAL A 34 -1.049 4.413 -3.197 1.00 3.13 H new ATOM 0 HG13 VAL A 34 -0.206 3.073 -2.383 1.00 3.13 H new ATOM 0 HG21 VAL A 34 1.692 4.874 -0.769 1.00 72.31 H new ATOM 0 HG22 VAL A 34 2.234 3.428 -1.655 1.00 72.31 H new ATOM 0 HG23 VAL A 34 2.992 5.006 -1.977 1.00 72.31 H new ATOM 530 N LEU A 35 -0.051 3.634 -5.890 1.00 31.33 N ATOM 531 CA LEU A 35 -1.104 3.859 -6.861 1.00 31.24 C ATOM 532 C LEU A 35 -2.457 3.736 -6.184 1.00 0.25 C ATOM 533 O LEU A 35 -2.795 2.685 -5.636 1.00 22.53 O ATOM 534 CB LEU A 35 -1.013 2.857 -8.010 1.00 25.54 C ATOM 535 CG LEU A 35 -1.926 3.146 -9.200 1.00 23.53 C ATOM 536 CD1 LEU A 35 -1.546 4.461 -9.866 1.00 61.22 C ATOM 537 CD2 LEU A 35 -1.885 2.001 -10.202 1.00 73.42 C ATOM 0 H LEU A 35 0.205 2.655 -5.762 1.00 31.33 H new ATOM 0 HA LEU A 35 -0.985 4.863 -7.270 1.00 31.24 H new ATOM 0 HB2 LEU A 35 0.018 2.826 -8.363 1.00 25.54 H new ATOM 0 HB3 LEU A 35 -1.248 1.865 -7.625 1.00 25.54 H new ATOM 0 HG LEU A 35 -2.947 3.237 -8.830 1.00 23.53 H new ATOM 0 HD11 LEU A 35 -2.210 4.646 -10.711 1.00 61.22 H new ATOM 0 HD12 LEU A 35 -1.640 5.274 -9.146 1.00 61.22 H new ATOM 0 HD13 LEU A 35 -0.516 4.406 -10.219 1.00 61.22 H new ATOM 0 HD21 LEU A 35 -2.542 2.228 -11.041 1.00 73.42 H new ATOM 0 HD22 LEU A 35 -0.865 1.871 -10.565 1.00 73.42 H new ATOM 0 HD23 LEU A 35 -2.218 1.082 -9.719 1.00 73.42 H new ATOM 549 N PHE A 36 -3.212 4.814 -6.206 1.00 52.33 N ATOM 550 CA PHE A 36 -4.539 4.832 -5.620 1.00 55.42 C ATOM 551 C PHE A 36 -5.559 4.347 -6.634 1.00 43.05 C ATOM 552 O PHE A 36 -5.399 4.559 -7.836 1.00 22.14 O ATOM 553 CB PHE A 36 -4.908 6.235 -5.136 1.00 71.33 C ATOM 554 CG PHE A 36 -4.036 6.734 -4.024 1.00 54.31 C ATOM 555 CD1 PHE A 36 -4.289 6.365 -2.713 1.00 43.01 C ATOM 556 CD2 PHE A 36 -2.967 7.573 -4.286 1.00 63.21 C ATOM 557 CE1 PHE A 36 -3.491 6.822 -1.684 1.00 10.52 C ATOM 558 CE2 PHE A 36 -2.165 8.036 -3.261 1.00 35.00 C ATOM 559 CZ PHE A 36 -2.427 7.660 -1.958 1.00 74.24 C ATOM 0 H PHE A 36 -2.927 5.698 -6.627 1.00 52.33 H new ATOM 0 HA PHE A 36 -4.541 4.164 -4.758 1.00 55.42 H new ATOM 0 HB2 PHE A 36 -4.845 6.928 -5.975 1.00 71.33 H new ATOM 0 HB3 PHE A 36 -5.945 6.234 -4.801 1.00 71.33 H new ATOM 0 HD1 PHE A 36 -5.121 5.712 -2.494 1.00 43.01 H new ATOM 0 HD2 PHE A 36 -2.757 7.869 -5.303 1.00 63.21 H new ATOM 0 HE1 PHE A 36 -3.698 6.525 -0.666 1.00 10.52 H new ATOM 0 HE2 PHE A 36 -1.334 8.691 -3.478 1.00 35.00 H new ATOM 0 HZ PHE A 36 -1.801 8.020 -1.155 1.00 74.24 H new ATOM 569 N GLU A 37 -6.592 3.691 -6.141 1.00 1.55 N ATOM 570 CA GLU A 37 -7.628 3.137 -6.991 1.00 51.31 C ATOM 571 C GLU A 37 -8.988 3.454 -6.385 1.00 51.12 C ATOM 572 O GLU A 37 -9.267 3.081 -5.242 1.00 71.23 O ATOM 573 CB GLU A 37 -7.409 1.622 -7.131 1.00 22.05 C ATOM 574 CG GLU A 37 -8.289 0.931 -8.167 1.00 62.13 C ATOM 575 CD GLU A 37 -9.692 0.654 -7.670 1.00 11.25 C ATOM 576 OE1 GLU A 37 -9.839 -0.062 -6.661 1.00 11.24 O ATOM 577 OE2 GLU A 37 -10.653 1.137 -8.296 1.00 1.24 O ATOM 0 H GLU A 37 -6.736 3.528 -5.145 1.00 1.55 H new ATOM 0 HA GLU A 37 -7.587 3.578 -7.987 1.00 51.31 H new ATOM 0 HB2 GLU A 37 -6.365 1.444 -7.388 1.00 22.05 H new ATOM 0 HB3 GLU A 37 -7.582 1.155 -6.161 1.00 22.05 H new ATOM 0 HG2 GLU A 37 -8.343 1.553 -9.061 1.00 62.13 H new ATOM 0 HG3 GLU A 37 -7.823 -0.009 -8.461 1.00 62.13 H new ATOM 584 N ASN A 38 -9.811 4.174 -7.136 1.00 22.04 N ATOM 585 CA ASN A 38 -11.120 4.600 -6.652 1.00 11.22 C ATOM 586 C ASN A 38 -12.161 4.457 -7.762 1.00 62.32 C ATOM 587 O ASN A 38 -13.017 5.323 -7.960 1.00 1.12 O ATOM 588 CB ASN A 38 -11.037 6.056 -6.169 1.00 35.11 C ATOM 589 CG ASN A 38 -12.279 6.513 -5.421 1.00 1.22 C ATOM 590 OD1 ASN A 38 -12.955 5.715 -4.770 1.00 72.22 O ATOM 591 ND2 ASN A 38 -12.585 7.800 -5.500 1.00 44.14 N ATOM 0 H ASN A 38 -9.595 4.477 -8.086 1.00 22.04 H new ATOM 0 HA ASN A 38 -11.423 3.969 -5.817 1.00 11.22 H new ATOM 0 HB2 ASN A 38 -10.169 6.167 -5.520 1.00 35.11 H new ATOM 0 HB3 ASN A 38 -10.878 6.708 -7.028 1.00 35.11 H new ATOM 0 HD21 ASN A 38 -13.405 8.160 -5.012 1.00 44.14 H new ATOM 0 HD22 ASN A 38 -12.001 8.430 -6.049 1.00 44.14 H new ATOM 598 N GLY A 39 -12.084 3.350 -8.484 1.00 44.45 N ATOM 599 CA GLY A 39 -12.993 3.108 -9.582 1.00 14.13 C ATOM 600 C GLY A 39 -12.347 3.399 -10.915 1.00 0.31 C ATOM 601 O GLY A 39 -11.556 2.603 -11.420 1.00 22.12 O ATOM 0 H GLY A 39 -11.401 2.609 -8.326 1.00 44.45 H new ATOM 0 HA2 GLY A 39 -13.326 2.070 -9.557 1.00 14.13 H new ATOM 0 HA3 GLY A 39 -13.880 3.730 -9.464 1.00 14.13 H new ATOM 605 N ASN A 40 -12.683 4.542 -11.487 1.00 22.24 N ATOM 606 CA ASN A 40 -12.067 4.988 -12.729 1.00 30.42 C ATOM 607 C ASN A 40 -10.882 5.883 -12.422 1.00 72.33 C ATOM 608 O ASN A 40 -9.888 5.895 -13.146 1.00 5.10 O ATOM 609 CB ASN A 40 -13.085 5.735 -13.596 1.00 32.23 C ATOM 610 CG ASN A 40 -12.443 6.500 -14.742 1.00 0.43 C ATOM 611 OD1 ASN A 40 -12.199 7.705 -14.641 1.00 60.41 O ATOM 612 ND2 ASN A 40 -12.143 5.806 -15.829 1.00 62.42 N ATOM 0 H ASN A 40 -13.382 5.182 -11.111 1.00 22.24 H new ATOM 0 HA ASN A 40 -11.721 4.115 -13.282 1.00 30.42 H new ATOM 0 HB2 ASN A 40 -13.803 5.021 -14.000 1.00 32.23 H new ATOM 0 HB3 ASN A 40 -13.645 6.431 -12.971 1.00 32.23 H new ATOM 0 HD21 ASN A 40 -11.694 6.267 -16.621 1.00 62.42 H new ATOM 0 HD22 ASN A 40 -12.361 4.811 -15.875 1.00 62.42 H new ATOM 619 N TRP A 41 -10.995 6.622 -11.334 1.00 51.05 N ATOM 620 CA TRP A 41 -9.936 7.517 -10.908 1.00 33.21 C ATOM 621 C TRP A 41 -8.780 6.741 -10.294 1.00 3.40 C ATOM 622 O TRP A 41 -8.976 5.770 -9.554 1.00 24.10 O ATOM 623 CB TRP A 41 -10.477 8.546 -9.913 1.00 55.45 C ATOM 624 CG TRP A 41 -9.437 9.469 -9.354 1.00 32.33 C ATOM 625 CD1 TRP A 41 -9.042 10.665 -9.875 1.00 21.20 C ATOM 626 CD2 TRP A 41 -8.660 9.273 -8.164 1.00 12.11 C ATOM 627 NE1 TRP A 41 -8.073 11.227 -9.084 1.00 62.21 N ATOM 628 CE2 TRP A 41 -7.823 10.394 -8.027 1.00 64.05 C ATOM 629 CE3 TRP A 41 -8.597 8.261 -7.200 1.00 3.53 C ATOM 630 CZ2 TRP A 41 -6.932 10.530 -6.967 1.00 70.25 C ATOM 631 CZ3 TRP A 41 -7.711 8.397 -6.149 1.00 23.11 C ATOM 632 CH2 TRP A 41 -6.890 9.524 -6.041 1.00 22.03 C ATOM 0 H TRP A 41 -11.814 6.619 -10.726 1.00 51.05 H new ATOM 0 HA TRP A 41 -9.562 8.042 -11.787 1.00 33.21 H new ATOM 0 HB2 TRP A 41 -11.247 9.140 -10.405 1.00 55.45 H new ATOM 0 HB3 TRP A 41 -10.959 8.019 -9.089 1.00 55.45 H new ATOM 0 HD1 TRP A 41 -9.435 11.106 -10.779 1.00 21.20 H new ATOM 0 HE1 TRP A 41 -7.613 12.121 -9.256 1.00 62.21 H new ATOM 0 HE3 TRP A 41 -9.230 7.389 -7.276 1.00 3.53 H new ATOM 0 HZ2 TRP A 41 -6.296 11.399 -6.878 1.00 70.25 H new ATOM 0 HZ3 TRP A 41 -7.651 7.622 -5.400 1.00 23.11 H new ATOM 0 HH2 TRP A 41 -6.207 9.602 -5.208 1.00 22.03 H new ATOM 643 N ASP A 42 -7.583 7.196 -10.609 1.00 21.31 N ATOM 644 CA ASP A 42 -6.355 6.626 -10.073 1.00 23.35 C ATOM 645 C ASP A 42 -5.344 7.744 -9.871 1.00 21.23 C ATOM 646 O ASP A 42 -5.528 8.847 -10.394 1.00 54.44 O ATOM 647 CB ASP A 42 -5.772 5.556 -11.010 1.00 13.24 C ATOM 648 CG ASP A 42 -5.126 6.140 -12.254 1.00 52.54 C ATOM 649 OD1 ASP A 42 -3.913 6.440 -12.216 1.00 74.04 O ATOM 650 OD2 ASP A 42 -5.818 6.285 -13.282 1.00 62.12 O ATOM 0 H ASP A 42 -7.431 7.976 -11.248 1.00 21.31 H new ATOM 0 HA ASP A 42 -6.581 6.142 -9.123 1.00 23.35 H new ATOM 0 HB2 ASP A 42 -5.032 4.969 -10.465 1.00 13.24 H new ATOM 0 HB3 ASP A 42 -6.566 4.871 -11.308 1.00 13.24 H new ATOM 655 N LYS A 43 -4.285 7.468 -9.126 1.00 12.14 N ATOM 656 CA LYS A 43 -3.259 8.467 -8.856 1.00 62.53 C ATOM 657 C LYS A 43 -2.007 7.798 -8.314 1.00 52.34 C ATOM 658 O LYS A 43 -2.093 6.891 -7.488 1.00 53.15 O ATOM 659 CB LYS A 43 -3.776 9.502 -7.856 1.00 12.44 C ATOM 660 CG LYS A 43 -2.824 10.661 -7.618 1.00 70.11 C ATOM 661 CD LYS A 43 -3.420 11.666 -6.651 1.00 40.22 C ATOM 662 CE LYS A 43 -2.520 12.876 -6.471 1.00 11.42 C ATOM 663 NZ LYS A 43 -2.288 13.605 -7.748 1.00 24.22 N ATOM 0 H LYS A 43 -4.112 6.559 -8.696 1.00 12.14 H new ATOM 0 HA LYS A 43 -3.012 8.974 -9.789 1.00 62.53 H new ATOM 0 HB2 LYS A 43 -4.727 9.895 -8.215 1.00 12.44 H new ATOM 0 HB3 LYS A 43 -3.974 9.006 -6.905 1.00 12.44 H new ATOM 0 HG2 LYS A 43 -1.881 10.285 -7.222 1.00 70.11 H new ATOM 0 HG3 LYS A 43 -2.599 11.152 -8.565 1.00 70.11 H new ATOM 0 HD2 LYS A 43 -4.395 11.989 -7.017 1.00 40.22 H new ATOM 0 HD3 LYS A 43 -3.584 11.188 -5.685 1.00 40.22 H new ATOM 0 HE2 LYS A 43 -2.968 13.554 -5.745 1.00 11.42 H new ATOM 0 HE3 LYS A 43 -1.563 12.556 -6.059 1.00 11.42 H new ATOM 0 HZ1 LYS A 43 -1.907 14.551 -7.544 1.00 24.22 H new ATOM 0 HZ2 LYS A 43 -1.608 13.076 -8.331 1.00 24.22 H new ATOM 0 HZ3 LYS A 43 -3.187 13.698 -8.263 1.00 24.22 H new ATOM 677 N LEU A 44 -0.850 8.235 -8.781 1.00 23.21 N ATOM 678 CA LEU A 44 0.409 7.675 -8.324 1.00 2.23 C ATOM 679 C LEU A 44 1.149 8.685 -7.455 1.00 73.10 C ATOM 680 O LEU A 44 1.637 9.705 -7.948 1.00 61.22 O ATOM 681 CB LEU A 44 1.282 7.265 -9.512 1.00 32.31 C ATOM 682 CG LEU A 44 2.586 6.561 -9.139 1.00 35.13 C ATOM 683 CD1 LEU A 44 2.298 5.272 -8.391 1.00 31.41 C ATOM 684 CD2 LEU A 44 3.417 6.284 -10.381 1.00 11.43 C ATOM 0 H LEU A 44 -0.757 8.976 -9.476 1.00 23.21 H new ATOM 0 HA LEU A 44 0.194 6.786 -7.731 1.00 2.23 H new ATOM 0 HB2 LEU A 44 0.703 6.607 -10.160 1.00 32.31 H new ATOM 0 HB3 LEU A 44 1.520 8.156 -10.094 1.00 32.31 H new ATOM 0 HG LEU A 44 3.158 7.219 -8.484 1.00 35.13 H new ATOM 0 HD11 LEU A 44 3.238 4.783 -8.133 1.00 31.41 H new ATOM 0 HD12 LEU A 44 1.743 5.496 -7.480 1.00 31.41 H new ATOM 0 HD13 LEU A 44 1.706 4.609 -9.022 1.00 31.41 H new ATOM 0 HD21 LEU A 44 4.342 5.782 -10.096 1.00 11.43 H new ATOM 0 HD22 LEU A 44 2.853 5.646 -11.061 1.00 11.43 H new ATOM 0 HD23 LEU A 44 3.653 7.225 -10.878 1.00 11.43 H new ATOM 696 N VAL A 45 1.214 8.410 -6.161 1.00 53.11 N ATOM 697 CA VAL A 45 1.893 9.292 -5.227 1.00 4.31 C ATOM 698 C VAL A 45 2.958 8.525 -4.457 1.00 23.44 C ATOM 699 O VAL A 45 2.676 7.506 -3.827 1.00 51.31 O ATOM 700 CB VAL A 45 0.919 9.937 -4.219 1.00 74.00 C ATOM 701 CG1 VAL A 45 1.640 10.980 -3.377 1.00 62.14 C ATOM 702 CG2 VAL A 45 -0.274 10.553 -4.932 1.00 24.00 C ATOM 0 H VAL A 45 0.803 7.580 -5.734 1.00 53.11 H new ATOM 0 HA VAL A 45 2.350 10.086 -5.818 1.00 4.31 H new ATOM 0 HB VAL A 45 0.547 9.155 -3.557 1.00 74.00 H new ATOM 0 HG11 VAL A 45 0.939 11.426 -2.671 1.00 62.14 H new ATOM 0 HG12 VAL A 45 2.454 10.506 -2.829 1.00 62.14 H new ATOM 0 HG13 VAL A 45 2.043 11.757 -4.027 1.00 62.14 H new ATOM 0 HG21 VAL A 45 -0.945 11.001 -4.199 1.00 24.00 H new ATOM 0 HG22 VAL A 45 0.072 11.321 -5.624 1.00 24.00 H new ATOM 0 HG23 VAL A 45 -0.806 9.779 -5.486 1.00 24.00 H new ATOM 712 N THR A 46 4.183 9.012 -4.526 1.00 14.44 N ATOM 713 CA THR A 46 5.290 8.384 -3.837 1.00 2.23 C ATOM 714 C THR A 46 5.407 8.908 -2.411 1.00 3.11 C ATOM 715 O THR A 46 5.761 10.068 -2.179 1.00 34.21 O ATOM 716 CB THR A 46 6.609 8.653 -4.558 1.00 73.22 C ATOM 717 OG1 THR A 46 6.385 8.761 -5.972 1.00 32.13 O ATOM 718 CG2 THR A 46 7.609 7.546 -4.292 1.00 32.42 C ATOM 0 H THR A 46 4.435 9.846 -5.056 1.00 14.44 H new ATOM 0 HA THR A 46 5.093 7.312 -3.823 1.00 2.23 H new ATOM 0 HB THR A 46 7.015 9.591 -4.178 1.00 73.22 H new ATOM 0 HG1 THR A 46 7.236 8.935 -6.426 1.00 32.13 H new ATOM 0 HG21 THR A 46 8.539 7.762 -4.817 1.00 32.42 H new ATOM 0 HG22 THR A 46 7.803 7.481 -3.221 1.00 32.42 H new ATOM 0 HG23 THR A 46 7.205 6.598 -4.646 1.00 32.42 H new ATOM 726 N PHE A 47 5.113 8.042 -1.471 1.00 11.43 N ATOM 727 CA PHE A 47 5.214 8.366 -0.053 1.00 24.20 C ATOM 728 C PHE A 47 6.389 7.626 0.551 1.00 63.14 C ATOM 729 O PHE A 47 7.063 6.857 -0.133 1.00 64.42 O ATOM 730 CB PHE A 47 3.947 7.971 0.712 1.00 41.14 C ATOM 731 CG PHE A 47 2.728 8.786 0.389 1.00 41.22 C ATOM 732 CD1 PHE A 47 2.592 10.074 0.878 1.00 4.44 C ATOM 733 CD2 PHE A 47 1.706 8.254 -0.382 1.00 20.33 C ATOM 734 CE1 PHE A 47 1.461 10.818 0.603 1.00 70.43 C ATOM 735 CE2 PHE A 47 0.576 8.996 -0.662 1.00 55.43 C ATOM 736 CZ PHE A 47 0.453 10.279 -0.168 1.00 2.01 C ATOM 0 H PHE A 47 4.796 7.091 -1.659 1.00 11.43 H new ATOM 0 HA PHE A 47 5.348 9.445 0.030 1.00 24.20 H new ATOM 0 HB2 PHE A 47 3.729 6.923 0.507 1.00 41.14 H new ATOM 0 HB3 PHE A 47 4.146 8.052 1.781 1.00 41.14 H new ATOM 0 HD1 PHE A 47 3.379 10.502 1.481 1.00 4.44 H new ATOM 0 HD2 PHE A 47 1.795 7.249 -0.767 1.00 20.33 H new ATOM 0 HE1 PHE A 47 1.366 11.821 0.992 1.00 70.43 H new ATOM 0 HE2 PHE A 47 -0.212 8.573 -1.268 1.00 55.43 H new ATOM 0 HZ PHE A 47 -0.431 10.860 -0.385 1.00 2.01 H new ATOM 746 N ARG A 48 6.630 7.852 1.827 1.00 33.35 N ATOM 747 CA ARG A 48 7.674 7.135 2.535 1.00 23.05 C ATOM 748 C ARG A 48 7.107 5.849 3.121 1.00 12.53 C ATOM 749 O ARG A 48 5.901 5.727 3.321 1.00 20.05 O ATOM 750 CB ARG A 48 8.266 8.010 3.638 1.00 34.34 C ATOM 751 CG ARG A 48 8.886 9.296 3.114 1.00 53.43 C ATOM 752 CD ARG A 48 9.140 10.293 4.231 1.00 35.42 C ATOM 753 NE ARG A 48 9.752 11.524 3.732 1.00 71.12 N ATOM 754 CZ ARG A 48 9.158 12.720 3.738 1.00 21.23 C ATOM 755 NH1 ARG A 48 7.904 12.854 4.154 1.00 11.03 N ATOM 756 NH2 ARG A 48 9.817 13.787 3.309 1.00 45.04 N ATOM 0 H ARG A 48 6.118 8.526 2.396 1.00 33.35 H new ATOM 0 HA ARG A 48 8.471 6.883 1.835 1.00 23.05 H new ATOM 0 HB2 ARG A 48 7.484 8.257 4.356 1.00 34.34 H new ATOM 0 HB3 ARG A 48 9.024 7.442 4.176 1.00 34.34 H new ATOM 0 HG2 ARG A 48 9.825 9.068 2.609 1.00 53.43 H new ATOM 0 HG3 ARG A 48 8.225 9.742 2.371 1.00 53.43 H new ATOM 0 HD2 ARG A 48 8.199 10.530 4.727 1.00 35.42 H new ATOM 0 HD3 ARG A 48 9.790 9.842 4.980 1.00 35.42 H new ATOM 0 HE ARG A 48 10.697 11.465 3.353 1.00 71.12 H new ATOM 0 HH11 ARG A 48 7.383 12.038 4.474 1.00 11.03 H new ATOM 0 HH12 ARG A 48 7.462 13.773 4.154 1.00 11.03 H new ATOM 0 HH21 ARG A 48 10.776 13.694 2.975 1.00 45.04 H new ATOM 0 HH22 ARG A 48 9.365 14.701 3.313 1.00 45.04 H new ATOM 770 N LEU A 49 7.983 4.907 3.412 1.00 1.41 N ATOM 771 CA LEU A 49 7.577 3.598 3.908 1.00 2.50 C ATOM 772 C LEU A 49 7.070 3.723 5.333 1.00 12.50 C ATOM 773 O LEU A 49 6.238 2.943 5.785 1.00 20.24 O ATOM 774 CB LEU A 49 8.753 2.619 3.857 1.00 60.22 C ATOM 775 CG LEU A 49 9.325 2.353 2.463 1.00 52.33 C ATOM 776 CD1 LEU A 49 10.540 1.443 2.553 1.00 74.11 C ATOM 777 CD2 LEU A 49 8.267 1.745 1.554 1.00 12.31 C ATOM 0 H LEU A 49 8.992 5.022 3.313 1.00 1.41 H new ATOM 0 HA LEU A 49 6.777 3.215 3.274 1.00 2.50 H new ATOM 0 HB2 LEU A 49 9.552 3.003 4.492 1.00 60.22 H new ATOM 0 HB3 LEU A 49 8.433 1.670 4.287 1.00 60.22 H new ATOM 0 HG LEU A 49 9.637 3.305 2.033 1.00 52.33 H new ATOM 0 HD11 LEU A 49 10.935 1.263 1.553 1.00 74.11 H new ATOM 0 HD12 LEU A 49 11.306 1.918 3.166 1.00 74.11 H new ATOM 0 HD13 LEU A 49 10.251 0.494 3.005 1.00 74.11 H new ATOM 0 HD21 LEU A 49 8.695 1.564 0.568 1.00 12.31 H new ATOM 0 HD22 LEU A 49 7.921 0.802 1.978 1.00 12.31 H new ATOM 0 HD23 LEU A 49 7.426 2.433 1.464 1.00 12.31 H new ATOM 789 N SER A 50 7.570 4.734 6.024 1.00 2.40 N ATOM 790 CA SER A 50 7.145 5.019 7.376 1.00 2.34 C ATOM 791 C SER A 50 5.819 5.771 7.358 1.00 71.41 C ATOM 792 O SER A 50 5.154 5.911 8.383 1.00 20.44 O ATOM 793 CB SER A 50 8.223 5.836 8.081 1.00 51.01 C ATOM 794 OG SER A 50 8.665 6.907 7.258 1.00 5.32 O ATOM 0 H SER A 50 8.277 5.374 5.663 1.00 2.40 H new ATOM 0 HA SER A 50 6.998 4.086 7.920 1.00 2.34 H new ATOM 0 HB2 SER A 50 7.832 6.230 9.019 1.00 51.01 H new ATOM 0 HB3 SER A 50 9.066 5.193 8.333 1.00 51.01 H new ATOM 0 HG SER A 50 9.355 7.419 7.730 1.00 5.32 H new ATOM 800 N GLU A 51 5.433 6.239 6.172 1.00 62.12 N ATOM 801 CA GLU A 51 4.187 6.992 6.021 1.00 4.51 C ATOM 802 C GLU A 51 3.076 6.089 5.502 1.00 3.20 C ATOM 803 O GLU A 51 1.955 6.537 5.250 1.00 12.43 O ATOM 804 CB GLU A 51 4.382 8.176 5.074 1.00 31.33 C ATOM 805 CG GLU A 51 5.503 9.103 5.499 1.00 73.20 C ATOM 806 CD GLU A 51 5.648 10.306 4.595 1.00 64.03 C ATOM 807 OE1 GLU A 51 5.699 10.128 3.361 1.00 53.15 O ATOM 808 OE2 GLU A 51 5.726 11.437 5.119 1.00 74.50 O ATOM 0 H GLU A 51 5.959 6.112 5.308 1.00 62.12 H new ATOM 0 HA GLU A 51 3.902 7.373 7.002 1.00 4.51 H new ATOM 0 HB2 GLU A 51 4.590 7.801 4.072 1.00 31.33 H new ATOM 0 HB3 GLU A 51 3.453 8.743 5.016 1.00 31.33 H new ATOM 0 HG2 GLU A 51 5.320 9.441 6.519 1.00 73.20 H new ATOM 0 HG3 GLU A 51 6.441 8.548 5.510 1.00 73.20 H new ATOM 815 N LEU A 52 3.401 4.817 5.347 1.00 54.42 N ATOM 816 CA LEU A 52 2.465 3.837 4.840 1.00 71.43 C ATOM 817 C LEU A 52 2.394 2.640 5.775 1.00 44.51 C ATOM 818 O LEU A 52 3.342 2.355 6.505 1.00 34.32 O ATOM 819 CB LEU A 52 2.919 3.364 3.465 1.00 52.43 C ATOM 820 CG LEU A 52 3.029 4.453 2.399 1.00 44.01 C ATOM 821 CD1 LEU A 52 3.746 3.913 1.173 1.00 2.24 C ATOM 822 CD2 LEU A 52 1.649 4.979 2.026 1.00 61.24 C ATOM 0 H LEU A 52 4.321 4.438 5.570 1.00 54.42 H new ATOM 0 HA LEU A 52 1.480 4.298 4.771 1.00 71.43 H new ATOM 0 HB2 LEU A 52 3.891 2.881 3.568 1.00 52.43 H new ATOM 0 HB3 LEU A 52 2.222 2.604 3.113 1.00 52.43 H new ATOM 0 HG LEU A 52 3.609 5.282 2.805 1.00 44.01 H new ATOM 0 HD11 LEU A 52 3.819 4.697 0.419 1.00 2.24 H new ATOM 0 HD12 LEU A 52 4.747 3.584 1.452 1.00 2.24 H new ATOM 0 HD13 LEU A 52 3.187 3.070 0.767 1.00 2.24 H new ATOM 0 HD21 LEU A 52 1.748 5.754 1.266 1.00 61.24 H new ATOM 0 HD22 LEU A 52 1.042 4.163 1.635 1.00 61.24 H new ATOM 0 HD23 LEU A 52 1.168 5.398 2.910 1.00 61.24 H new ATOM 834 N GLU A 53 1.266 1.953 5.769 1.00 42.01 N ATOM 835 CA GLU A 53 1.161 0.686 6.460 1.00 0.11 C ATOM 836 C GLU A 53 0.849 -0.410 5.454 1.00 15.30 C ATOM 837 O GLU A 53 -0.125 -0.325 4.704 1.00 20.52 O ATOM 838 CB GLU A 53 0.099 0.729 7.567 1.00 74.22 C ATOM 839 CG GLU A 53 -1.319 0.951 7.068 1.00 14.20 C ATOM 840 CD GLU A 53 -2.358 0.696 8.137 1.00 50.44 C ATOM 841 OE1 GLU A 53 -2.319 -0.384 8.762 1.00 31.33 O ATOM 842 OE2 GLU A 53 -3.227 1.564 8.353 1.00 2.32 O ATOM 0 H GLU A 53 0.414 2.252 5.294 1.00 42.01 H new ATOM 0 HA GLU A 53 2.115 0.475 6.943 1.00 0.11 H new ATOM 0 HB2 GLU A 53 0.133 -0.208 8.123 1.00 74.22 H new ATOM 0 HB3 GLU A 53 0.354 1.525 8.267 1.00 74.22 H new ATOM 0 HG2 GLU A 53 -1.417 1.975 6.708 1.00 14.20 H new ATOM 0 HG3 GLU A 53 -1.508 0.295 6.219 1.00 14.20 H new ATOM 849 N ALA A 54 1.695 -1.422 5.410 1.00 73.33 N ATOM 850 CA ALA A 54 1.494 -2.532 4.499 1.00 5.45 C ATOM 851 C ALA A 54 0.439 -3.473 5.051 1.00 5.21 C ATOM 852 O ALA A 54 0.555 -3.951 6.179 1.00 14.25 O ATOM 853 CB ALA A 54 2.802 -3.272 4.262 1.00 24.22 C ATOM 0 H ALA A 54 2.528 -1.498 5.994 1.00 73.33 H new ATOM 0 HA ALA A 54 1.147 -2.142 3.542 1.00 5.45 H new ATOM 0 HB1 ALA A 54 2.632 -4.102 3.576 1.00 24.22 H new ATOM 0 HB2 ALA A 54 3.534 -2.589 3.831 1.00 24.22 H new ATOM 0 HB3 ALA A 54 3.179 -3.656 5.210 1.00 24.22 H new ATOM 859 N VAL A 55 -0.599 -3.718 4.273 1.00 23.50 N ATOM 860 CA VAL A 55 -1.641 -4.640 4.686 1.00 21.13 C ATOM 861 C VAL A 55 -1.235 -6.051 4.291 1.00 4.32 C ATOM 862 O VAL A 55 -0.345 -6.225 3.458 1.00 63.31 O ATOM 863 CB VAL A 55 -3.008 -4.302 4.055 1.00 30.13 C ATOM 864 CG1 VAL A 55 -4.145 -4.910 4.865 1.00 14.25 C ATOM 865 CG2 VAL A 55 -3.187 -2.796 3.921 1.00 44.55 C ATOM 0 H VAL A 55 -0.743 -3.294 3.356 1.00 23.50 H new ATOM 0 HA VAL A 55 -1.753 -4.556 5.767 1.00 21.13 H new ATOM 0 HB VAL A 55 -3.033 -4.736 3.056 1.00 30.13 H new ATOM 0 HG11 VAL A 55 -5.098 -4.658 4.400 1.00 14.25 H new ATOM 0 HG12 VAL A 55 -4.031 -5.994 4.895 1.00 14.25 H new ATOM 0 HG13 VAL A 55 -4.120 -4.514 5.880 1.00 14.25 H new ATOM 0 HG21 VAL A 55 -4.158 -2.583 3.474 1.00 44.55 H new ATOM 0 HG22 VAL A 55 -3.133 -2.334 4.907 1.00 44.55 H new ATOM 0 HG23 VAL A 55 -2.399 -2.391 3.286 1.00 44.55 H new