USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 390 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 MET CE :methyl -137:sc= -2.65 (180deg=-1.49) USER MOD Set 1.2: A 45 CYS SG : rot 83:sc= -1.07 USER MOD Set 2.1: A 4 THR OG1 : rot 180:sc= -1.39 USER MOD Set 2.2: A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 164:sc= -0.0326 (180deg=-0.306) USER MOD Single : A 14 GLN : amide:sc= -0.0161 K(o=-0.016,f=-1.1) USER MOD Single : A 15 MET CE :methyl -117:sc= -0.683 (180deg=-5.07!) USER MOD Single : A 19 THR OG1 : rot -82:sc= 0.0313 USER MOD Single : A 25 ASN : amide:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 26 ASN : amide:sc= 0.906 K(o=0.91,f=-0.28) USER MOD Single : A 40 SER OG : rot -114:sc= 0.476 USER MOD Single : A 48 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.048) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= -0.0235 (180deg=-0.177) USER MOD Single : A 60 ASN : amide:sc= 0.236 K(o=0.24,f=-0.36) USER MOD Single : A 62 TYR OH : rot 174:sc= 0.294 USER MOD ----------------------------------------------------------------- ATOM 42 N ILE A 3 9.524 -1.451 2.305 1.00 23.45 N ATOM 43 CA ILE A 3 8.192 -2.062 2.306 1.00 52.11 C ATOM 44 C ILE A 3 8.223 -3.471 1.693 1.00 33.30 C ATOM 45 O ILE A 3 8.893 -3.707 0.686 1.00 1.32 O ATOM 46 CB ILE A 3 7.177 -1.188 1.523 1.00 61.31 C ATOM 47 CG1 ILE A 3 7.178 0.253 2.061 1.00 14.52 C ATOM 48 CG2 ILE A 3 5.771 -1.790 1.598 1.00 63.22 C ATOM 49 CD1 ILE A 3 6.832 0.360 3.530 1.00 12.24 C ATOM 0 HA ILE A 3 7.876 -2.135 3.347 1.00 52.11 H new ATOM 0 HB ILE A 3 7.482 -1.165 0.477 1.00 61.31 H new ATOM 0 HG12 ILE A 3 8.163 0.691 1.897 1.00 14.52 H new ATOM 0 HG13 ILE A 3 6.466 0.845 1.486 1.00 14.52 H new ATOM 0 HG21 ILE A 3 5.076 -1.161 1.042 1.00 63.22 H new ATOM 0 HG22 ILE A 3 5.780 -2.791 1.166 1.00 63.22 H new ATOM 0 HG23 ILE A 3 5.455 -1.848 2.640 1.00 63.22 H new ATOM 0 HD11 ILE A 3 6.854 1.407 3.834 1.00 12.24 H new ATOM 0 HD12 ILE A 3 5.835 -0.046 3.699 1.00 12.24 H new ATOM 0 HD13 ILE A 3 7.558 -0.203 4.117 1.00 12.24 H new ATOM 61 N THR A 4 7.493 -4.402 2.303 1.00 62.23 N ATOM 62 CA THR A 4 7.430 -5.787 1.817 1.00 13.11 C ATOM 63 C THR A 4 5.976 -6.231 1.633 1.00 23.12 C ATOM 64 O THR A 4 5.073 -5.717 2.294 1.00 33.54 O ATOM 65 CB THR A 4 8.123 -6.770 2.792 1.00 61.44 C ATOM 66 OG1 THR A 4 7.401 -6.825 4.032 1.00 33.41 O ATOM 67 CG2 THR A 4 9.568 -6.359 3.061 1.00 33.01 C ATOM 0 H THR A 4 6.934 -4.226 3.138 1.00 62.23 H new ATOM 0 HA THR A 4 7.952 -5.807 0.861 1.00 13.11 H new ATOM 0 HB THR A 4 8.127 -7.755 2.325 1.00 61.44 H new ATOM 0 HG1 THR A 4 7.845 -7.450 4.642 1.00 33.41 H new ATOM 0 HG21 THR A 4 10.026 -7.069 3.749 1.00 33.01 H new ATOM 0 HG22 THR A 4 10.124 -6.351 2.124 1.00 33.01 H new ATOM 0 HG23 THR A 4 9.587 -5.363 3.503 1.00 33.01 H new ATOM 75 N LYS A 5 5.747 -7.195 0.740 1.00 21.42 N ATOM 76 CA LYS A 5 4.392 -7.713 0.496 1.00 41.22 C ATOM 77 C LYS A 5 3.829 -8.412 1.746 1.00 53.32 C ATOM 78 O LYS A 5 2.625 -8.651 1.855 1.00 30.44 O ATOM 79 CB LYS A 5 4.398 -8.679 -0.698 1.00 32.23 C ATOM 80 CG LYS A 5 5.192 -9.960 -0.462 1.00 31.25 C ATOM 81 CD LYS A 5 5.163 -10.888 -1.675 1.00 41.44 C ATOM 82 CE LYS A 5 5.955 -10.328 -2.848 1.00 71.24 C ATOM 83 NZ LYS A 5 7.397 -10.189 -2.519 1.00 23.42 N ATOM 0 H LYS A 5 6.474 -7.633 0.175 1.00 21.42 H new ATOM 0 HA LYS A 5 3.745 -6.867 0.264 1.00 41.22 H new ATOM 0 HB2 LYS A 5 3.369 -8.943 -0.943 1.00 32.23 H new ATOM 0 HB3 LYS A 5 4.810 -8.164 -1.566 1.00 32.23 H new ATOM 0 HG2 LYS A 5 6.225 -9.707 -0.225 1.00 31.25 H new ATOM 0 HG3 LYS A 5 4.786 -10.483 0.404 1.00 31.25 H new ATOM 0 HD2 LYS A 5 5.569 -11.860 -1.396 1.00 41.44 H new ATOM 0 HD3 LYS A 5 4.130 -11.050 -1.981 1.00 41.44 H new ATOM 0 HE2 LYS A 5 5.840 -10.984 -3.711 1.00 71.24 H new ATOM 0 HE3 LYS A 5 5.550 -9.356 -3.130 1.00 71.24 H new ATOM 0 HZ1 LYS A 5 7.943 -10.069 -3.396 1.00 23.42 H new ATOM 0 HZ2 LYS A 5 7.535 -9.358 -1.909 1.00 23.42 H new ATOM 0 HZ3 LYS A 5 7.723 -11.042 -2.021 1.00 23.42 H new ATOM 97 N ASP A 6 4.722 -8.724 2.681 1.00 35.11 N ATOM 98 CA ASP A 6 4.360 -9.353 3.955 1.00 21.52 C ATOM 99 C ASP A 6 3.602 -8.371 4.868 1.00 60.42 C ATOM 100 O ASP A 6 2.822 -8.775 5.734 1.00 32.53 O ATOM 101 CB ASP A 6 5.646 -9.828 4.651 1.00 10.41 C ATOM 102 CG ASP A 6 5.393 -10.816 5.775 1.00 42.41 C ATOM 103 OD1 ASP A 6 5.138 -10.383 6.917 1.00 20.32 O ATOM 104 OD2 ASP A 6 5.473 -12.037 5.523 1.00 63.43 O ATOM 0 H ASP A 6 5.722 -8.548 2.579 1.00 35.11 H new ATOM 0 HA ASP A 6 3.700 -10.198 3.758 1.00 21.52 H new ATOM 0 HB2 ASP A 6 6.301 -10.290 3.912 1.00 10.41 H new ATOM 0 HB3 ASP A 6 6.175 -8.963 5.050 1.00 10.41 H new ATOM 109 N MET A 7 3.835 -7.077 4.657 1.00 44.44 N ATOM 110 CA MET A 7 3.293 -6.028 5.528 1.00 21.30 C ATOM 111 C MET A 7 1.773 -5.831 5.369 1.00 53.34 C ATOM 112 O MET A 7 1.205 -6.042 4.294 1.00 4.34 O ATOM 113 CB MET A 7 4.022 -4.706 5.262 1.00 13.43 C ATOM 114 CG MET A 7 5.497 -4.745 5.625 1.00 11.12 C ATOM 115 SD MET A 7 6.324 -3.170 5.335 1.00 31.12 S ATOM 116 CE MET A 7 7.970 -3.547 5.933 1.00 45.14 C ATOM 0 H MET A 7 4.400 -6.725 3.884 1.00 44.44 H new ATOM 0 HA MET A 7 3.460 -6.353 6.555 1.00 21.30 H new ATOM 0 HB2 MET A 7 3.922 -4.451 4.207 1.00 13.43 H new ATOM 0 HB3 MET A 7 3.537 -3.912 5.830 1.00 13.43 H new ATOM 0 HG2 MET A 7 5.602 -5.018 6.675 1.00 11.12 H new ATOM 0 HG3 MET A 7 5.990 -5.523 5.042 1.00 11.12 H new ATOM 0 HE1 MET A 7 8.607 -2.670 5.822 1.00 45.14 H new ATOM 0 HE2 MET A 7 7.919 -3.828 6.985 1.00 45.14 H new ATOM 0 HE3 MET A 7 8.386 -4.373 5.356 1.00 45.14 H new ATOM 126 N ILE A 8 1.131 -5.424 6.465 1.00 22.14 N ATOM 127 CA ILE A 8 -0.302 -5.110 6.475 1.00 23.04 C ATOM 128 C ILE A 8 -0.563 -3.717 5.880 1.00 23.30 C ATOM 129 O ILE A 8 0.108 -2.745 6.233 1.00 1.51 O ATOM 130 CB ILE A 8 -0.871 -5.154 7.919 1.00 2.30 C ATOM 131 CG1 ILE A 8 -0.651 -6.540 8.553 1.00 14.25 C ATOM 132 CG2 ILE A 8 -2.355 -4.789 7.937 1.00 12.22 C ATOM 133 CD1 ILE A 8 -1.389 -7.666 7.855 1.00 35.20 C ATOM 0 H ILE A 8 1.587 -5.302 7.369 1.00 22.14 H new ATOM 0 HA ILE A 8 -0.802 -5.864 5.867 1.00 23.04 H new ATOM 0 HB ILE A 8 -0.332 -4.415 8.511 1.00 2.30 H new ATOM 0 HG12 ILE A 8 0.416 -6.763 8.551 1.00 14.25 H new ATOM 0 HG13 ILE A 8 -0.967 -6.505 9.596 1.00 14.25 H new ATOM 0 HG21 ILE A 8 -2.727 -4.828 8.961 1.00 12.22 H new ATOM 0 HG22 ILE A 8 -2.487 -3.782 7.541 1.00 12.22 H new ATOM 0 HG23 ILE A 8 -2.911 -5.496 7.322 1.00 12.22 H new ATOM 0 HD11 ILE A 8 -1.181 -8.608 8.363 1.00 35.20 H new ATOM 0 HD12 ILE A 8 -2.461 -7.469 7.880 1.00 35.20 H new ATOM 0 HD13 ILE A 8 -1.057 -7.732 6.819 1.00 35.20 H new ATOM 145 N ILE A 9 -1.548 -3.623 4.990 1.00 23.34 N ATOM 146 CA ILE A 9 -1.886 -2.353 4.336 1.00 24.15 C ATOM 147 C ILE A 9 -2.217 -1.247 5.362 1.00 51.42 C ATOM 148 O ILE A 9 -1.782 -0.102 5.218 1.00 12.41 O ATOM 149 CB ILE A 9 -3.070 -2.540 3.353 1.00 43.34 C ATOM 150 CG1 ILE A 9 -2.686 -3.558 2.258 1.00 1.24 C ATOM 151 CG2 ILE A 9 -3.485 -1.201 2.738 1.00 34.24 C ATOM 152 CD1 ILE A 9 -3.781 -3.826 1.246 1.00 12.01 C ATOM 0 H ILE A 9 -2.129 -4.410 4.702 1.00 23.34 H new ATOM 0 HA ILE A 9 -1.006 -2.036 3.776 1.00 24.15 H new ATOM 0 HB ILE A 9 -3.927 -2.928 3.904 1.00 43.34 H new ATOM 0 HG12 ILE A 9 -1.803 -3.194 1.733 1.00 1.24 H new ATOM 0 HG13 ILE A 9 -2.409 -4.499 2.734 1.00 1.24 H new ATOM 0 HG21 ILE A 9 -4.317 -1.358 2.052 1.00 34.24 H new ATOM 0 HG22 ILE A 9 -3.791 -0.517 3.529 1.00 34.24 H new ATOM 0 HG23 ILE A 9 -2.642 -0.774 2.194 1.00 34.24 H new ATOM 0 HD11 ILE A 9 -3.429 -4.552 0.513 1.00 12.01 H new ATOM 0 HD12 ILE A 9 -4.659 -4.222 1.756 1.00 12.01 H new ATOM 0 HD13 ILE A 9 -4.044 -2.897 0.740 1.00 12.01 H new ATOM 164 N ALA A 10 -2.971 -1.602 6.404 1.00 12.11 N ATOM 165 CA ALA A 10 -3.320 -0.653 7.470 1.00 52.31 C ATOM 166 C ALA A 10 -2.071 -0.104 8.184 1.00 61.12 C ATOM 167 O ALA A 10 -1.986 1.090 8.476 1.00 54.54 O ATOM 168 CB ALA A 10 -4.257 -1.310 8.479 1.00 34.31 C ATOM 0 H ALA A 10 -3.353 -2.539 6.535 1.00 12.11 H new ATOM 0 HA ALA A 10 -3.829 0.190 7.002 1.00 52.31 H new ATOM 0 HB1 ALA A 10 -4.507 -0.595 9.263 1.00 34.31 H new ATOM 0 HB2 ALA A 10 -5.169 -1.629 7.975 1.00 34.31 H new ATOM 0 HB3 ALA A 10 -3.765 -2.176 8.922 1.00 34.31 H new ATOM 174 N ASP A 11 -1.104 -0.984 8.457 1.00 41.31 N ATOM 175 CA ASP A 11 0.150 -0.587 9.109 1.00 14.32 C ATOM 176 C ASP A 11 0.885 0.482 8.283 1.00 71.43 C ATOM 177 O ASP A 11 1.341 1.497 8.816 1.00 73.42 O ATOM 178 CB ASP A 11 1.044 -1.817 9.314 1.00 50.55 C ATOM 179 CG ASP A 11 2.361 -1.476 9.990 1.00 54.11 C ATOM 180 OD1 ASP A 11 2.398 -1.419 11.237 1.00 61.34 O ATOM 181 OD2 ASP A 11 3.365 -1.257 9.280 1.00 74.52 O ATOM 0 H ASP A 11 -1.164 -1.978 8.237 1.00 41.31 H new ATOM 0 HA ASP A 11 -0.087 -0.155 10.081 1.00 14.32 H new ATOM 0 HB2 ASP A 11 0.511 -2.553 9.916 1.00 50.55 H new ATOM 0 HB3 ASP A 11 1.245 -2.281 8.348 1.00 50.55 H new ATOM 186 N VAL A 12 0.975 0.252 6.976 1.00 21.23 N ATOM 187 CA VAL A 12 1.619 1.204 6.063 1.00 24.30 C ATOM 188 C VAL A 12 0.950 2.591 6.139 1.00 30.33 C ATOM 189 O VAL A 12 1.622 3.625 6.075 1.00 4.43 O ATOM 190 CB VAL A 12 1.590 0.689 4.601 1.00 53.41 C ATOM 191 CG1 VAL A 12 2.352 1.632 3.672 1.00 34.13 C ATOM 192 CG2 VAL A 12 2.157 -0.731 4.520 1.00 23.34 C ATOM 0 H VAL A 12 0.611 -0.585 6.521 1.00 21.23 H new ATOM 0 HA VAL A 12 2.658 1.299 6.380 1.00 24.30 H new ATOM 0 HB VAL A 12 0.551 0.663 4.271 1.00 53.41 H new ATOM 0 HG11 VAL A 12 2.316 1.247 2.653 1.00 34.13 H new ATOM 0 HG12 VAL A 12 1.895 2.621 3.703 1.00 34.13 H new ATOM 0 HG13 VAL A 12 3.390 1.702 3.997 1.00 34.13 H new ATOM 0 HG21 VAL A 12 2.129 -1.076 3.486 1.00 23.34 H new ATOM 0 HG22 VAL A 12 3.188 -0.732 4.875 1.00 23.34 H new ATOM 0 HG23 VAL A 12 1.559 -1.398 5.141 1.00 23.34 H new ATOM 202 N LEU A 13 -0.376 2.601 6.291 1.00 65.32 N ATOM 203 CA LEU A 13 -1.131 3.849 6.468 1.00 2.13 C ATOM 204 C LEU A 13 -0.762 4.540 7.790 1.00 45.43 C ATOM 205 O LEU A 13 -0.696 5.767 7.864 1.00 63.30 O ATOM 206 CB LEU A 13 -2.643 3.574 6.441 1.00 21.00 C ATOM 207 CG LEU A 13 -3.169 2.893 5.169 1.00 61.01 C ATOM 208 CD1 LEU A 13 -4.682 2.720 5.237 1.00 24.44 C ATOM 209 CD2 LEU A 13 -2.770 3.682 3.928 1.00 25.25 C ATOM 0 H LEU A 13 -0.952 1.759 6.295 1.00 65.32 H new ATOM 0 HA LEU A 13 -0.868 4.510 5.642 1.00 2.13 H new ATOM 0 HB2 LEU A 13 -2.896 2.949 7.298 1.00 21.00 H new ATOM 0 HB3 LEU A 13 -3.169 4.520 6.570 1.00 21.00 H new ATOM 0 HG LEU A 13 -2.716 1.904 5.101 1.00 61.01 H new ATOM 0 HD11 LEU A 13 -5.034 2.236 4.326 1.00 24.44 H new ATOM 0 HD12 LEU A 13 -4.939 2.104 6.098 1.00 24.44 H new ATOM 0 HD13 LEU A 13 -5.156 3.697 5.335 1.00 24.44 H new ATOM 0 HD21 LEU A 13 -3.153 3.181 3.039 1.00 25.25 H new ATOM 0 HD22 LEU A 13 -3.187 4.687 3.986 1.00 25.25 H new ATOM 0 HD23 LEU A 13 -1.683 3.743 3.870 1.00 25.25 H new ATOM 221 N GLN A 14 -0.530 3.740 8.832 1.00 12.13 N ATOM 222 CA GLN A 14 -0.126 4.268 10.142 1.00 64.11 C ATOM 223 C GLN A 14 1.260 4.937 10.076 1.00 31.21 C ATOM 224 O GLN A 14 1.610 5.753 10.933 1.00 2.43 O ATOM 225 CB GLN A 14 -0.114 3.144 11.188 1.00 51.32 C ATOM 226 CG GLN A 14 -1.465 2.458 11.385 1.00 53.30 C ATOM 227 CD GLN A 14 -1.390 1.286 12.350 1.00 63.55 C ATOM 228 OE1 GLN A 14 -0.362 0.628 12.471 1.00 45.23 O ATOM 229 NE2 GLN A 14 -2.474 1.008 13.043 1.00 11.23 N ATOM 0 H GLN A 14 -0.614 2.724 8.797 1.00 12.13 H new ATOM 0 HA GLN A 14 -0.854 5.025 10.434 1.00 64.11 H new ATOM 0 HB2 GLN A 14 0.621 2.396 10.892 1.00 51.32 H new ATOM 0 HB3 GLN A 14 0.215 3.555 12.143 1.00 51.32 H new ATOM 0 HG2 GLN A 14 -2.187 3.185 11.758 1.00 53.30 H new ATOM 0 HG3 GLN A 14 -1.834 2.107 10.421 1.00 53.30 H new ATOM 0 HE21 GLN A 14 -3.315 1.572 12.922 1.00 11.23 H new ATOM 0 HE22 GLN A 14 -2.473 0.228 13.701 1.00 11.23 H new ATOM 238 N MET A 15 2.054 4.570 9.068 1.00 53.41 N ATOM 239 CA MET A 15 3.358 5.208 8.843 1.00 14.41 C ATOM 240 C MET A 15 3.182 6.491 8.022 1.00 11.42 C ATOM 241 O MET A 15 3.647 7.566 8.410 1.00 74.13 O ATOM 242 CB MET A 15 4.321 4.249 8.123 1.00 53.33 C ATOM 243 CG MET A 15 4.292 2.835 8.677 1.00 12.44 C ATOM 244 SD MET A 15 5.706 1.838 8.164 1.00 61.23 S ATOM 245 CE MET A 15 5.419 1.715 6.403 1.00 53.20 C ATOM 0 H MET A 15 1.821 3.839 8.396 1.00 53.41 H new ATOM 0 HA MET A 15 3.787 5.460 9.813 1.00 14.41 H new ATOM 0 HB2 MET A 15 4.069 4.221 7.063 1.00 53.33 H new ATOM 0 HB3 MET A 15 5.336 4.640 8.199 1.00 53.33 H new ATOM 0 HG2 MET A 15 4.263 2.879 9.766 1.00 12.44 H new ATOM 0 HG3 MET A 15 3.374 2.344 8.354 1.00 12.44 H new ATOM 0 HE1 MET A 15 5.258 0.671 6.133 1.00 53.20 H new ATOM 0 HE2 MET A 15 4.538 2.299 6.136 1.00 53.20 H new ATOM 0 HE3 MET A 15 6.286 2.100 5.865 1.00 53.20 H new ATOM 255 N ASP A 16 2.496 6.367 6.890 1.00 70.24 N ATOM 256 CA ASP A 16 2.193 7.523 6.042 1.00 14.53 C ATOM 257 C ASP A 16 0.829 7.357 5.348 1.00 2.12 C ATOM 258 O ASP A 16 0.561 6.337 4.708 1.00 22.13 O ATOM 259 CB ASP A 16 3.302 7.723 5.003 1.00 11.12 C ATOM 260 CG ASP A 16 3.269 9.111 4.390 1.00 22.00 C ATOM 261 OD1 ASP A 16 2.340 9.406 3.617 1.00 20.02 O ATOM 262 OD2 ASP A 16 4.161 9.924 4.695 1.00 73.55 O ATOM 0 H ASP A 16 2.138 5.480 6.536 1.00 70.24 H new ATOM 0 HA ASP A 16 2.142 8.408 6.677 1.00 14.53 H new ATOM 0 HB2 ASP A 16 4.272 7.558 5.473 1.00 11.12 H new ATOM 0 HB3 ASP A 16 3.198 6.977 4.215 1.00 11.12 H new ATOM 267 N ARG A 17 -0.025 8.375 5.465 1.00 20.15 N ATOM 268 CA ARG A 17 -1.384 8.329 4.903 1.00 24.25 C ATOM 269 C ARG A 17 -1.386 8.452 3.371 1.00 61.31 C ATOM 270 O ARG A 17 -2.331 8.020 2.704 1.00 71.31 O ATOM 271 CB ARG A 17 -2.239 9.445 5.522 1.00 12.25 C ATOM 272 CG ARG A 17 -2.432 9.308 7.031 1.00 44.23 C ATOM 273 CD ARG A 17 -3.171 8.023 7.389 1.00 43.15 C ATOM 274 NE ARG A 17 -3.319 7.843 8.830 1.00 0.00 N ATOM 275 CZ ARG A 17 -4.211 7.067 9.383 1.00 44.53 C ATOM 276 NH1 ARG A 17 -5.079 6.429 8.657 1.00 31.32 N ATOM 277 NH2 ARG A 17 -4.240 6.940 10.668 1.00 35.30 N ATOM 0 H ARG A 17 0.198 9.247 5.945 1.00 20.15 H new ATOM 0 HA ARG A 17 -1.809 7.356 5.149 1.00 24.25 H new ATOM 0 HB2 ARG A 17 -1.772 10.407 5.311 1.00 12.25 H new ATOM 0 HB3 ARG A 17 -3.216 9.452 5.039 1.00 12.25 H new ATOM 0 HG2 ARG A 17 -1.460 9.319 7.525 1.00 44.23 H new ATOM 0 HG3 ARG A 17 -2.990 10.166 7.406 1.00 44.23 H new ATOM 0 HD2 ARG A 17 -4.157 8.034 6.925 1.00 43.15 H new ATOM 0 HD3 ARG A 17 -2.633 7.171 6.974 1.00 43.15 H new ATOM 0 HE ARG A 17 -2.686 8.356 9.443 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.069 6.531 7.642 1.00 31.32 H new ATOM 0 HH12 ARG A 17 -5.771 5.826 9.102 1.00 31.32 H new ATOM 0 HH21 ARG A 17 -3.568 7.445 11.246 1.00 35.30 H new ATOM 0 HH22 ARG A 17 -4.935 6.335 11.105 1.00 35.30 H new ATOM 291 N GLY A 18 -0.326 9.029 2.816 1.00 12.00 N ATOM 292 CA GLY A 18 -0.224 9.204 1.372 1.00 31.11 C ATOM 293 C GLY A 18 0.015 7.899 0.614 1.00 30.33 C ATOM 294 O GLY A 18 0.071 7.892 -0.617 1.00 34.51 O ATOM 0 H GLY A 18 0.473 9.383 3.342 1.00 12.00 H new ATOM 0 HA2 GLY A 18 -1.141 9.665 1.005 1.00 31.11 H new ATOM 0 HA3 GLY A 18 0.590 9.895 1.155 1.00 31.11 H new ATOM 298 N THR A 19 0.158 6.794 1.343 1.00 1.15 N ATOM 299 CA THR A 19 0.337 5.473 0.724 1.00 60.02 C ATOM 300 C THR A 19 -0.999 4.877 0.258 1.00 52.12 C ATOM 301 O THR A 19 -1.033 4.052 -0.659 1.00 13.40 O ATOM 302 CB THR A 19 1.014 4.478 1.693 1.00 10.32 C ATOM 303 OG1 THR A 19 0.203 4.300 2.863 1.00 24.24 O ATOM 304 CG2 THR A 19 2.401 4.966 2.100 1.00 61.24 C ATOM 0 H THR A 19 0.154 6.782 2.363 1.00 1.15 H new ATOM 0 HA THR A 19 0.981 5.628 -0.142 1.00 60.02 H new ATOM 0 HB THR A 19 1.121 3.524 1.176 1.00 10.32 H new ATOM 0 HG1 THR A 19 0.374 5.031 3.494 1.00 24.24 H new ATOM 0 HG21 THR A 19 2.854 4.247 2.782 1.00 61.24 H new ATOM 0 HG22 THR A 19 3.026 5.068 1.213 1.00 61.24 H new ATOM 0 HG23 THR A 19 2.315 5.933 2.597 1.00 61.24 H new ATOM 312 N ALA A 20 -2.102 5.312 0.876 1.00 74.53 N ATOM 313 CA ALA A 20 -3.444 4.806 0.536 1.00 52.53 C ATOM 314 C ALA A 20 -3.762 4.924 -0.972 1.00 20.15 C ATOM 315 O ALA A 20 -4.141 3.930 -1.602 1.00 23.11 O ATOM 316 CB ALA A 20 -4.512 5.512 1.374 1.00 41.11 C ATOM 0 H ALA A 20 -2.096 6.014 1.616 1.00 74.53 H new ATOM 0 HA ALA A 20 -3.452 3.742 0.774 1.00 52.53 H new ATOM 0 HB1 ALA A 20 -5.496 5.126 1.109 1.00 41.11 H new ATOM 0 HB2 ALA A 20 -4.323 5.330 2.432 1.00 41.11 H new ATOM 0 HB3 ALA A 20 -4.478 6.584 1.178 1.00 41.11 H new ATOM 322 N PRO A 21 -3.607 6.125 -1.589 1.00 42.52 N ATOM 323 CA PRO A 21 -3.846 6.301 -3.034 1.00 21.42 C ATOM 324 C PRO A 21 -2.950 5.394 -3.900 1.00 64.14 C ATOM 325 O PRO A 21 -3.303 5.064 -5.030 1.00 14.15 O ATOM 326 CB PRO A 21 -3.528 7.788 -3.283 1.00 71.25 C ATOM 327 CG PRO A 21 -2.714 8.216 -2.112 1.00 64.13 C ATOM 328 CD PRO A 21 -3.208 7.398 -0.952 1.00 63.34 C ATOM 0 HA PRO A 21 -4.864 6.025 -3.309 1.00 21.42 H new ATOM 0 HB2 PRO A 21 -2.978 7.922 -4.215 1.00 71.25 H new ATOM 0 HB3 PRO A 21 -4.441 8.378 -3.364 1.00 71.25 H new ATOM 0 HG2 PRO A 21 -1.652 8.043 -2.289 1.00 64.13 H new ATOM 0 HG3 PRO A 21 -2.836 9.282 -1.919 1.00 64.13 H new ATOM 0 HD2 PRO A 21 -2.430 7.248 -0.203 1.00 63.34 H new ATOM 0 HD3 PRO A 21 -4.047 7.878 -0.448 1.00 63.34 H new ATOM 336 N ILE A 22 -1.797 4.983 -3.362 1.00 61.13 N ATOM 337 CA ILE A 22 -0.893 4.073 -4.076 1.00 60.00 C ATOM 338 C ILE A 22 -1.484 2.657 -4.132 1.00 10.50 C ATOM 339 O ILE A 22 -1.468 2.004 -5.179 1.00 4.40 O ATOM 340 CB ILE A 22 0.504 4.026 -3.412 1.00 64.51 C ATOM 341 CG1 ILE A 22 1.111 5.439 -3.345 1.00 42.11 C ATOM 342 CG2 ILE A 22 1.432 3.076 -4.174 1.00 31.10 C ATOM 343 CD1 ILE A 22 2.446 5.494 -2.638 1.00 10.01 C ATOM 0 H ILE A 22 -1.468 5.264 -2.438 1.00 61.13 H new ATOM 0 HA ILE A 22 -0.780 4.457 -5.090 1.00 60.00 H new ATOM 0 HB ILE A 22 0.392 3.649 -2.396 1.00 64.51 H new ATOM 0 HG12 ILE A 22 1.231 5.822 -4.359 1.00 42.11 H new ATOM 0 HG13 ILE A 22 0.412 6.101 -2.834 1.00 42.11 H new ATOM 0 HG21 ILE A 22 2.409 3.057 -3.691 1.00 31.10 H new ATOM 0 HG22 ILE A 22 1.007 2.072 -4.172 1.00 31.10 H new ATOM 0 HG23 ILE A 22 1.542 3.421 -5.202 1.00 31.10 H new ATOM 0 HD11 ILE A 22 2.811 6.521 -2.630 1.00 10.01 H new ATOM 0 HD12 ILE A 22 2.330 5.142 -1.613 1.00 10.01 H new ATOM 0 HD13 ILE A 22 3.161 4.859 -3.161 1.00 10.01 H new ATOM 355 N PHE A 23 -2.017 2.187 -3.003 1.00 21.34 N ATOM 356 CA PHE A 23 -2.736 0.910 -2.969 1.00 54.53 C ATOM 357 C PHE A 23 -3.929 0.944 -3.938 1.00 20.25 C ATOM 358 O PHE A 23 -4.105 0.047 -4.766 1.00 10.01 O ATOM 359 CB PHE A 23 -3.227 0.593 -1.548 1.00 75.01 C ATOM 360 CG PHE A 23 -2.119 0.297 -0.566 1.00 20.13 C ATOM 361 CD1 PHE A 23 -1.480 -0.934 -0.578 1.00 14.53 C ATOM 362 CD2 PHE A 23 -1.723 1.242 0.371 1.00 12.13 C ATOM 363 CE1 PHE A 23 -0.464 -1.212 0.318 1.00 33.01 C ATOM 364 CE2 PHE A 23 -0.709 0.968 1.268 1.00 33.04 C ATOM 365 CZ PHE A 23 -0.079 -0.261 1.242 1.00 13.42 C ATOM 0 H PHE A 23 -1.966 2.667 -2.105 1.00 21.34 H new ATOM 0 HA PHE A 23 -2.045 0.126 -3.279 1.00 54.53 H new ATOM 0 HB2 PHE A 23 -3.809 1.438 -1.179 1.00 75.01 H new ATOM 0 HB3 PHE A 23 -3.900 -0.264 -1.590 1.00 75.01 H new ATOM 0 HD1 PHE A 23 -1.779 -1.684 -1.295 1.00 14.53 H new ATOM 0 HD2 PHE A 23 -2.214 2.204 0.399 1.00 12.13 H new ATOM 0 HE1 PHE A 23 0.028 -2.173 0.295 1.00 33.01 H new ATOM 0 HE2 PHE A 23 -0.409 1.714 1.989 1.00 33.04 H new ATOM 0 HZ PHE A 23 0.713 -0.478 1.943 1.00 13.42 H new ATOM 375 N ILE A 24 -4.738 1.999 -3.836 1.00 5.45 N ATOM 376 CA ILE A 24 -5.894 2.190 -4.722 1.00 41.44 C ATOM 377 C ILE A 24 -5.456 2.307 -6.195 1.00 5.31 C ATOM 378 O ILE A 24 -6.151 1.840 -7.103 1.00 54.30 O ATOM 379 CB ILE A 24 -6.704 3.449 -4.313 1.00 1.03 C ATOM 380 CG1 ILE A 24 -7.133 3.345 -2.837 1.00 21.30 C ATOM 381 CG2 ILE A 24 -7.924 3.628 -5.217 1.00 11.03 C ATOM 382 CD1 ILE A 24 -7.892 4.555 -2.330 1.00 33.33 C ATOM 0 H ILE A 24 -4.615 2.740 -3.146 1.00 5.45 H new ATOM 0 HA ILE A 24 -6.531 1.312 -4.619 1.00 41.44 H new ATOM 0 HB ILE A 24 -6.066 4.325 -4.432 1.00 1.03 H new ATOM 0 HG12 ILE A 24 -7.756 2.459 -2.712 1.00 21.30 H new ATOM 0 HG13 ILE A 24 -6.246 3.201 -2.221 1.00 21.30 H new ATOM 0 HG21 ILE A 24 -8.476 4.517 -4.911 1.00 11.03 H new ATOM 0 HG22 ILE A 24 -7.597 3.742 -6.251 1.00 11.03 H new ATOM 0 HG23 ILE A 24 -8.569 2.754 -5.134 1.00 11.03 H new ATOM 0 HD11 ILE A 24 -8.159 4.405 -1.284 1.00 33.33 H new ATOM 0 HD12 ILE A 24 -7.265 5.442 -2.421 1.00 33.33 H new ATOM 0 HD13 ILE A 24 -8.799 4.689 -2.920 1.00 33.33 H new ATOM 394 N ASN A 25 -4.294 2.919 -6.421 1.00 32.33 N ATOM 395 CA ASN A 25 -3.701 3.007 -7.762 1.00 5.14 C ATOM 396 C ASN A 25 -3.482 1.610 -8.370 1.00 43.22 C ATOM 397 O ASN A 25 -3.624 1.417 -9.573 1.00 43.01 O ATOM 398 CB ASN A 25 -2.367 3.770 -7.696 1.00 41.33 C ATOM 399 CG ASN A 25 -1.640 3.831 -9.022 1.00 44.13 C ATOM 400 OD1 ASN A 25 -1.944 4.644 -9.887 1.00 64.52 O ATOM 401 ND2 ASN A 25 -0.639 3.004 -9.162 1.00 61.20 N ATOM 0 H ASN A 25 -3.739 3.365 -5.690 1.00 32.33 H new ATOM 0 HA ASN A 25 -4.396 3.548 -8.405 1.00 5.14 H new ATOM 0 HB2 ASN A 25 -2.555 4.785 -7.347 1.00 41.33 H new ATOM 0 HB3 ASN A 25 -1.721 3.294 -6.958 1.00 41.33 H new ATOM 0 HD21 ASN A 25 -0.079 3.021 -10.014 1.00 61.20 H new ATOM 0 HD22 ASN A 25 -0.417 2.341 -8.419 1.00 61.20 H new ATOM 408 N ASN A 26 -3.153 0.639 -7.522 1.00 21.21 N ATOM 409 CA ASN A 26 -2.904 -0.733 -7.975 1.00 34.13 C ATOM 410 C ASN A 26 -4.164 -1.618 -7.889 1.00 50.31 C ATOM 411 O ASN A 26 -4.078 -2.837 -8.005 1.00 41.40 O ATOM 412 CB ASN A 26 -1.754 -1.352 -7.171 1.00 14.43 C ATOM 413 CG ASN A 26 -0.411 -0.760 -7.561 1.00 73.35 C ATOM 414 OD1 ASN A 26 0.251 -1.250 -8.469 1.00 44.51 O ATOM 415 ND2 ASN A 26 -0.003 0.304 -6.896 1.00 2.13 N ATOM 0 H ASN A 26 -3.052 0.774 -6.516 1.00 21.21 H new ATOM 0 HA ASN A 26 -2.623 -0.684 -9.027 1.00 34.13 H new ATOM 0 HB2 ASN A 26 -1.927 -1.191 -6.107 1.00 14.43 H new ATOM 0 HB3 ASN A 26 -1.737 -2.430 -7.332 1.00 14.43 H new ATOM 0 HD21 ASN A 26 0.887 0.743 -7.132 1.00 2.13 H new ATOM 0 HD22 ASN A 26 -0.577 0.688 -6.145 1.00 2.13 H new ATOM 422 N GLY A 27 -5.333 -1.009 -7.690 1.00 32.51 N ATOM 423 CA GLY A 27 -6.588 -1.764 -7.739 1.00 21.12 C ATOM 424 C GLY A 27 -7.239 -2.017 -6.379 1.00 33.41 C ATOM 425 O GLY A 27 -8.327 -2.597 -6.313 1.00 40.22 O ATOM 0 H GLY A 27 -5.439 -0.013 -7.497 1.00 32.51 H new ATOM 0 HA2 GLY A 27 -7.295 -1.225 -8.370 1.00 21.12 H new ATOM 0 HA3 GLY A 27 -6.399 -2.724 -8.220 1.00 21.12 H new ATOM 429 N MET A 28 -6.592 -1.599 -5.293 1.00 30.31 N ATOM 430 CA MET A 28 -7.181 -1.736 -3.952 1.00 0.21 C ATOM 431 C MET A 28 -8.318 -0.722 -3.734 1.00 54.30 C ATOM 432 O MET A 28 -8.624 0.089 -4.610 1.00 10.10 O ATOM 433 CB MET A 28 -6.109 -1.537 -2.871 1.00 65.51 C ATOM 434 CG MET A 28 -4.987 -2.564 -2.899 1.00 3.23 C ATOM 435 SD MET A 28 -5.564 -4.231 -2.527 1.00 62.21 S ATOM 436 CE MET A 28 -4.005 -5.103 -2.392 1.00 21.04 C ATOM 0 H MET A 28 -5.669 -1.166 -5.308 1.00 30.31 H new ATOM 0 HA MET A 28 -7.592 -2.743 -3.877 1.00 0.21 H new ATOM 0 HB2 MET A 28 -5.677 -0.543 -2.984 1.00 65.51 H new ATOM 0 HB3 MET A 28 -6.588 -1.567 -1.892 1.00 65.51 H new ATOM 0 HG2 MET A 28 -4.517 -2.557 -3.883 1.00 3.23 H new ATOM 0 HG3 MET A 28 -4.221 -2.279 -2.178 1.00 3.23 H new ATOM 0 HE1 MET A 28 -4.080 -6.063 -2.903 1.00 21.04 H new ATOM 0 HE2 MET A 28 -3.215 -4.509 -2.850 1.00 21.04 H new ATOM 0 HE3 MET A 28 -3.771 -5.269 -1.340 1.00 21.04 H new ATOM 572 N GLU A 39 -5.541 -6.970 5.751 1.00 43.20 N ATOM 573 CA GLU A 39 -4.811 -8.070 5.104 1.00 22.33 C ATOM 574 C GLU A 39 -3.441 -7.608 4.573 1.00 35.14 C ATOM 575 O GLU A 39 -3.252 -6.437 4.231 1.00 32.44 O ATOM 576 CB GLU A 39 -5.655 -8.675 3.965 1.00 72.44 C ATOM 577 CG GLU A 39 -7.042 -9.136 4.415 1.00 65.11 C ATOM 578 CD GLU A 39 -7.804 -9.913 3.346 1.00 23.02 C ATOM 579 OE1 GLU A 39 -8.041 -9.368 2.250 1.00 55.31 O ATOM 580 OE2 GLU A 39 -8.184 -11.077 3.604 1.00 53.45 O ATOM 0 HA GLU A 39 -4.630 -8.837 5.857 1.00 22.33 H new ATOM 0 HB2 GLU A 39 -5.766 -7.935 3.172 1.00 72.44 H new ATOM 0 HB3 GLU A 39 -5.120 -9.523 3.537 1.00 72.44 H new ATOM 0 HG2 GLU A 39 -6.938 -9.761 5.302 1.00 65.11 H new ATOM 0 HG3 GLU A 39 -7.629 -8.265 4.706 1.00 65.11 H new ATOM 587 N SER A 40 -2.478 -8.533 4.529 1.00 24.33 N ATOM 588 CA SER A 40 -1.139 -8.235 3.997 1.00 10.24 C ATOM 589 C SER A 40 -1.187 -8.003 2.484 1.00 62.55 C ATOM 590 O SER A 40 -2.058 -8.531 1.797 1.00 2.00 O ATOM 591 CB SER A 40 -0.157 -9.375 4.309 1.00 54.21 C ATOM 592 OG SER A 40 0.066 -9.504 5.706 1.00 52.40 O ATOM 0 H SER A 40 -2.597 -9.493 4.854 1.00 24.33 H new ATOM 0 HA SER A 40 -0.791 -7.324 4.484 1.00 10.24 H new ATOM 0 HB2 SER A 40 -0.549 -10.312 3.914 1.00 54.21 H new ATOM 0 HB3 SER A 40 0.791 -9.188 3.804 1.00 54.21 H new ATOM 0 HG SER A 40 0.999 -9.285 5.910 1.00 52.40 H new ATOM 598 N ILE A 41 -0.238 -7.225 1.969 1.00 72.15 N ATOM 599 CA ILE A 41 -0.197 -6.881 0.544 1.00 50.34 C ATOM 600 C ILE A 41 -0.267 -8.124 -0.368 1.00 13.12 C ATOM 601 O ILE A 41 -1.116 -8.197 -1.253 1.00 23.44 O ATOM 602 CB ILE A 41 1.081 -6.066 0.245 1.00 62.14 C ATOM 603 CG1 ILE A 41 1.070 -4.769 1.077 1.00 30.14 C ATOM 604 CG2 ILE A 41 1.208 -5.764 -1.249 1.00 64.13 C ATOM 605 CD1 ILE A 41 2.447 -4.250 1.407 1.00 22.33 C ATOM 0 H ILE A 41 0.518 -6.817 2.518 1.00 72.15 H new ATOM 0 HA ILE A 41 -1.080 -6.281 0.325 1.00 50.34 H new ATOM 0 HB ILE A 41 1.951 -6.659 0.527 1.00 62.14 H new ATOM 0 HG12 ILE A 41 0.523 -4.001 0.530 1.00 30.14 H new ATOM 0 HG13 ILE A 41 0.526 -4.947 2.005 1.00 30.14 H new ATOM 0 HG21 ILE A 41 2.117 -5.189 -1.428 1.00 64.13 H new ATOM 0 HG22 ILE A 41 1.254 -6.699 -1.807 1.00 64.13 H new ATOM 0 HG23 ILE A 41 0.344 -5.188 -1.578 1.00 64.13 H new ATOM 0 HD11 ILE A 41 2.360 -3.336 1.994 1.00 22.33 H new ATOM 0 HD12 ILE A 41 2.990 -5.000 1.982 1.00 22.33 H new ATOM 0 HD13 ILE A 41 2.987 -4.039 0.484 1.00 22.33 H new ATOM 617 N GLU A 42 0.607 -9.106 -0.139 1.00 45.33 N ATOM 618 CA GLU A 42 0.617 -10.335 -0.954 1.00 1.24 C ATOM 619 C GLU A 42 -0.714 -11.103 -0.851 1.00 43.13 C ATOM 620 O GLU A 42 -1.159 -11.735 -1.814 1.00 62.35 O ATOM 621 CB GLU A 42 1.776 -11.253 -0.536 1.00 5.32 C ATOM 622 CG GLU A 42 1.739 -11.682 0.926 1.00 11.42 C ATOM 623 CD GLU A 42 2.858 -12.650 1.285 1.00 3.34 C ATOM 624 OE1 GLU A 42 2.660 -13.872 1.142 1.00 50.02 O ATOM 625 OE2 GLU A 42 3.938 -12.194 1.717 1.00 2.15 O ATOM 0 H GLU A 42 1.314 -9.081 0.596 1.00 45.33 H new ATOM 0 HA GLU A 42 0.753 -10.029 -1.991 1.00 1.24 H new ATOM 0 HB2 GLU A 42 1.764 -12.144 -1.164 1.00 5.32 H new ATOM 0 HB3 GLU A 42 2.718 -10.740 -0.728 1.00 5.32 H new ATOM 0 HG2 GLU A 42 1.811 -10.799 1.561 1.00 11.42 H new ATOM 0 HG3 GLU A 42 0.778 -12.150 1.138 1.00 11.42 H new ATOM 632 N ASP A 43 -1.343 -11.034 0.317 1.00 72.44 N ATOM 633 CA ASP A 43 -2.596 -11.747 0.576 1.00 2.22 C ATOM 634 C ASP A 43 -3.783 -11.041 -0.107 1.00 24.52 C ATOM 635 O ASP A 43 -4.460 -11.623 -0.958 1.00 72.53 O ATOM 636 CB ASP A 43 -2.806 -11.845 2.094 1.00 31.33 C ATOM 637 CG ASP A 43 -3.989 -12.714 2.481 1.00 31.32 C ATOM 638 OD1 ASP A 43 -3.998 -13.905 2.115 1.00 10.54 O ATOM 639 OD2 ASP A 43 -4.907 -12.213 3.162 1.00 5.22 O ATOM 0 H ASP A 43 -1.004 -10.487 1.109 1.00 72.44 H new ATOM 0 HA ASP A 43 -2.537 -12.751 0.156 1.00 2.22 H new ATOM 0 HB2 ASP A 43 -1.903 -12.247 2.554 1.00 31.33 H new ATOM 0 HB3 ASP A 43 -2.951 -10.844 2.499 1.00 31.33 H new ATOM 644 N ALA A 44 -4.006 -9.778 0.254 1.00 62.11 N ATOM 645 CA ALA A 44 -5.081 -8.969 -0.333 1.00 4.35 C ATOM 646 C ALA A 44 -4.953 -8.867 -1.863 1.00 63.15 C ATOM 647 O ALA A 44 -5.947 -8.979 -2.589 1.00 24.34 O ATOM 648 CB ALA A 44 -5.085 -7.579 0.293 1.00 42.31 C ATOM 0 H ALA A 44 -3.453 -9.287 0.956 1.00 62.11 H new ATOM 0 HA ALA A 44 -6.027 -9.466 -0.119 1.00 4.35 H new ATOM 0 HB1 ALA A 44 -5.885 -6.984 -0.147 1.00 42.31 H new ATOM 0 HB2 ALA A 44 -5.245 -7.664 1.368 1.00 42.31 H new ATOM 0 HB3 ALA A 44 -4.127 -7.093 0.107 1.00 42.31 H new ATOM 654 N CYS A 45 -3.727 -8.654 -2.355 1.00 74.44 N ATOM 655 CA CYS A 45 -3.480 -8.590 -3.803 1.00 4.34 C ATOM 656 C CYS A 45 -3.942 -9.870 -4.507 1.00 13.42 C ATOM 657 O CYS A 45 -4.657 -9.808 -5.502 1.00 63.44 O ATOM 658 CB CYS A 45 -1.999 -8.332 -4.110 1.00 11.22 C ATOM 659 SG CYS A 45 -1.431 -6.673 -3.663 1.00 74.23 S ATOM 0 H CYS A 45 -2.896 -8.524 -1.779 1.00 74.44 H new ATOM 0 HA CYS A 45 -4.064 -7.753 -4.186 1.00 4.34 H new ATOM 0 HB2 CYS A 45 -1.395 -9.067 -3.578 1.00 11.22 H new ATOM 0 HB3 CYS A 45 -1.827 -8.489 -5.175 1.00 11.22 H new ATOM 0 HG CYS A 45 -1.141 -6.640 -2.396 1.00 74.23 H new ATOM 665 N ALA A 46 -3.547 -11.030 -3.982 1.00 41.35 N ATOM 666 CA ALA A 46 -3.951 -12.318 -4.563 1.00 40.21 C ATOM 667 C ALA A 46 -5.481 -12.454 -4.632 1.00 61.14 C ATOM 668 O ALA A 46 -6.029 -12.985 -5.602 1.00 65.23 O ATOM 669 CB ALA A 46 -3.360 -13.468 -3.757 1.00 3.41 C ATOM 0 H ALA A 46 -2.950 -11.108 -3.159 1.00 41.35 H new ATOM 0 HA ALA A 46 -3.566 -12.356 -5.582 1.00 40.21 H new ATOM 0 HB1 ALA A 46 -3.667 -14.417 -4.198 1.00 3.41 H new ATOM 0 HB2 ALA A 46 -2.272 -13.398 -3.767 1.00 3.41 H new ATOM 0 HB3 ALA A 46 -3.718 -13.413 -2.729 1.00 3.41 H new ATOM 675 N VAL A 47 -6.162 -11.956 -3.603 1.00 41.40 N ATOM 676 CA VAL A 47 -7.628 -11.984 -3.544 1.00 5.01 C ATOM 677 C VAL A 47 -8.262 -11.197 -4.704 1.00 51.51 C ATOM 678 O VAL A 47 -9.198 -11.668 -5.350 1.00 51.52 O ATOM 679 CB VAL A 47 -8.134 -11.417 -2.194 1.00 24.32 C ATOM 680 CG1 VAL A 47 -9.660 -11.415 -2.129 1.00 32.41 C ATOM 681 CG2 VAL A 47 -7.544 -12.207 -1.029 1.00 3.44 C ATOM 0 H VAL A 47 -5.721 -11.524 -2.791 1.00 41.40 H new ATOM 0 HA VAL A 47 -7.931 -13.027 -3.634 1.00 5.01 H new ATOM 0 HB VAL A 47 -7.799 -10.383 -2.117 1.00 24.32 H new ATOM 0 HG11 VAL A 47 -9.983 -11.011 -1.169 1.00 32.41 H new ATOM 0 HG12 VAL A 47 -10.058 -10.798 -2.935 1.00 32.41 H new ATOM 0 HG13 VAL A 47 -10.030 -12.435 -2.237 1.00 32.41 H new ATOM 0 HG21 VAL A 47 -7.910 -11.796 -0.088 1.00 3.44 H new ATOM 0 HG22 VAL A 47 -7.844 -13.252 -1.109 1.00 3.44 H new ATOM 0 HG23 VAL A 47 -6.457 -12.138 -1.057 1.00 3.44 H new ATOM 691 N HIS A 48 -7.744 -9.998 -4.971 1.00 72.53 N ATOM 692 CA HIS A 48 -8.270 -9.151 -6.053 1.00 0.21 C ATOM 693 C HIS A 48 -7.554 -9.423 -7.393 1.00 4.02 C ATOM 694 O HIS A 48 -7.989 -8.954 -8.445 1.00 14.12 O ATOM 695 CB HIS A 48 -8.133 -7.672 -5.665 1.00 1.53 C ATOM 696 CG HIS A 48 -8.819 -6.722 -6.606 1.00 44.25 C ATOM 697 ND1 HIS A 48 -10.190 -6.594 -6.676 1.00 63.52 N ATOM 698 CD2 HIS A 48 -8.321 -5.846 -7.512 1.00 53.23 C ATOM 699 CE1 HIS A 48 -10.501 -5.685 -7.576 1.00 45.51 C ATOM 700 NE2 HIS A 48 -9.390 -5.214 -8.096 1.00 35.12 N ATOM 0 H HIS A 48 -6.964 -9.588 -4.458 1.00 72.53 H new ATOM 0 HA HIS A 48 -9.323 -9.396 -6.192 1.00 0.21 H new ATOM 0 HB2 HIS A 48 -8.540 -7.531 -4.664 1.00 1.53 H new ATOM 0 HB3 HIS A 48 -7.074 -7.417 -5.617 1.00 1.53 H new ATOM 0 HD2 HIS A 48 -7.278 -5.677 -7.733 1.00 53.23 H new ATOM 0 HE1 HIS A 48 -11.502 -5.378 -7.842 1.00 45.51 H new ATOM 0 HE2 HIS A 48 -9.332 -4.495 -8.817 1.00 35.12 H new ATOM 709 N GLY A 49 -6.463 -10.186 -7.347 1.00 3.34 N ATOM 710 CA GLY A 49 -5.692 -10.491 -8.554 1.00 50.11 C ATOM 711 C GLY A 49 -4.746 -9.363 -8.969 1.00 31.24 C ATOM 712 O GLY A 49 -4.540 -9.113 -10.157 1.00 0.12 O ATOM 0 H GLY A 49 -6.093 -10.603 -6.493 1.00 3.34 H new ATOM 0 HA2 GLY A 49 -5.112 -11.399 -8.387 1.00 50.11 H new ATOM 0 HA3 GLY A 49 -6.380 -10.699 -9.373 1.00 50.11 H new ATOM 716 N ILE A 50 -4.172 -8.683 -7.981 1.00 43.21 N ATOM 717 CA ILE A 50 -3.243 -7.574 -8.217 1.00 34.30 C ATOM 718 C ILE A 50 -1.783 -8.052 -8.248 1.00 32.33 C ATOM 719 O ILE A 50 -1.431 -9.059 -7.628 1.00 32.13 O ATOM 720 CB ILE A 50 -3.385 -6.500 -7.108 1.00 45.22 C ATOM 721 CG1 ILE A 50 -4.856 -6.081 -6.960 1.00 2.32 C ATOM 722 CG2 ILE A 50 -2.497 -5.288 -7.400 1.00 30.11 C ATOM 723 CD1 ILE A 50 -5.100 -5.058 -5.868 1.00 72.11 C ATOM 0 H ILE A 50 -4.335 -8.882 -6.994 1.00 43.21 H new ATOM 0 HA ILE A 50 -3.498 -7.149 -9.188 1.00 34.30 H new ATOM 0 HB ILE A 50 -3.052 -6.933 -6.165 1.00 45.22 H new ATOM 0 HG12 ILE A 50 -5.204 -5.674 -7.909 1.00 2.32 H new ATOM 0 HG13 ILE A 50 -5.456 -6.967 -6.754 1.00 2.32 H new ATOM 0 HG21 ILE A 50 -2.616 -4.550 -6.607 1.00 30.11 H new ATOM 0 HG22 ILE A 50 -1.455 -5.604 -7.449 1.00 30.11 H new ATOM 0 HG23 ILE A 50 -2.787 -4.846 -8.353 1.00 30.11 H new ATOM 0 HD11 ILE A 50 -6.162 -4.815 -5.828 1.00 72.11 H new ATOM 0 HD12 ILE A 50 -4.785 -5.468 -4.908 1.00 72.11 H new ATOM 0 HD13 ILE A 50 -4.529 -4.155 -6.082 1.00 72.11 H new ATOM 735 N ASP A 51 -0.937 -7.325 -8.969 1.00 71.43 N ATOM 736 CA ASP A 51 0.501 -7.599 -8.982 1.00 5.12 C ATOM 737 C ASP A 51 1.168 -6.954 -7.752 1.00 13.42 C ATOM 738 O ASP A 51 1.464 -5.756 -7.744 1.00 62.11 O ATOM 739 CB ASP A 51 1.129 -7.066 -10.275 1.00 62.32 C ATOM 740 CG ASP A 51 2.509 -7.648 -10.541 1.00 64.34 C ATOM 741 OD1 ASP A 51 3.405 -7.498 -9.684 1.00 3.43 O ATOM 742 OD2 ASP A 51 2.700 -8.266 -11.609 1.00 45.03 O ATOM 0 H ASP A 51 -1.220 -6.539 -9.554 1.00 71.43 H new ATOM 0 HA ASP A 51 0.659 -8.677 -8.941 1.00 5.12 H new ATOM 0 HB2 ASP A 51 0.474 -7.298 -11.115 1.00 62.32 H new ATOM 0 HB3 ASP A 51 1.202 -5.980 -10.218 1.00 62.32 H new ATOM 747 N ALA A 52 1.378 -7.749 -6.707 1.00 1.40 N ATOM 748 CA ALA A 52 1.942 -7.239 -5.451 1.00 22.03 C ATOM 749 C ALA A 52 3.386 -6.744 -5.613 1.00 53.13 C ATOM 750 O ALA A 52 3.803 -5.808 -4.931 1.00 14.54 O ATOM 751 CB ALA A 52 1.862 -8.304 -4.362 1.00 24.21 C ATOM 0 H ALA A 52 1.168 -8.747 -6.700 1.00 1.40 H new ATOM 0 HA ALA A 52 1.342 -6.378 -5.157 1.00 22.03 H new ATOM 0 HB1 ALA A 52 2.284 -7.911 -3.437 1.00 24.21 H new ATOM 0 HB2 ALA A 52 0.820 -8.579 -4.198 1.00 24.21 H new ATOM 0 HB3 ALA A 52 2.425 -9.184 -4.672 1.00 24.21 H new ATOM 757 N ASP A 53 4.139 -7.362 -6.521 1.00 2.12 N ATOM 758 CA ASP A 53 5.532 -6.976 -6.755 1.00 53.32 C ATOM 759 C ASP A 53 5.620 -5.514 -7.223 1.00 64.21 C ATOM 760 O ASP A 53 6.433 -4.738 -6.722 1.00 24.31 O ATOM 761 CB ASP A 53 6.176 -7.915 -7.785 1.00 4.34 C ATOM 762 CG ASP A 53 7.664 -7.659 -7.955 1.00 73.13 C ATOM 763 OD1 ASP A 53 8.427 -7.913 -6.997 1.00 24.24 O ATOM 764 OD2 ASP A 53 8.081 -7.222 -9.046 1.00 34.11 O ATOM 0 H ASP A 53 3.810 -8.130 -7.106 1.00 2.12 H new ATOM 0 HA ASP A 53 6.079 -7.063 -5.816 1.00 53.32 H new ATOM 0 HB2 ASP A 53 6.021 -8.949 -7.476 1.00 4.34 H new ATOM 0 HB3 ASP A 53 5.677 -7.792 -8.746 1.00 4.34 H new ATOM 769 N LYS A 54 4.755 -5.137 -8.163 1.00 62.12 N ATOM 770 CA LYS A 54 4.720 -3.763 -8.678 1.00 75.21 C ATOM 771 C LYS A 54 4.202 -2.776 -7.617 1.00 14.33 C ATOM 772 O LYS A 54 4.728 -1.669 -7.474 1.00 1.33 O ATOM 773 CB LYS A 54 3.851 -3.699 -9.941 1.00 0.23 C ATOM 774 CG LYS A 54 4.373 -4.577 -11.076 1.00 43.04 C ATOM 775 CD LYS A 54 3.412 -4.610 -12.262 1.00 10.43 C ATOM 776 CE LYS A 54 3.881 -5.584 -13.339 1.00 71.14 C ATOM 777 NZ LYS A 54 2.889 -5.728 -14.439 1.00 61.14 N ATOM 0 H LYS A 54 4.068 -5.761 -8.586 1.00 62.12 H new ATOM 0 HA LYS A 54 5.739 -3.470 -8.930 1.00 75.21 H new ATOM 0 HB2 LYS A 54 2.835 -4.005 -9.691 1.00 0.23 H new ATOM 0 HB3 LYS A 54 3.797 -2.666 -10.285 1.00 0.23 H new ATOM 0 HG2 LYS A 54 5.343 -4.205 -11.406 1.00 43.04 H new ATOM 0 HG3 LYS A 54 4.529 -5.591 -10.708 1.00 43.04 H new ATOM 0 HD2 LYS A 54 2.419 -4.898 -11.918 1.00 10.43 H new ATOM 0 HD3 LYS A 54 3.324 -3.610 -12.688 1.00 10.43 H new ATOM 0 HE2 LYS A 54 4.829 -5.238 -13.751 1.00 71.14 H new ATOM 0 HE3 LYS A 54 4.065 -6.559 -12.889 1.00 71.14 H new ATOM 0 HZ1 LYS A 54 3.250 -6.399 -15.147 1.00 61.14 H new ATOM 0 HZ2 LYS A 54 1.991 -6.083 -14.052 1.00 61.14 H new ATOM 0 HZ3 LYS A 54 2.731 -4.803 -14.888 1.00 61.14 H new ATOM 791 N LEU A 55 3.180 -3.189 -6.865 1.00 33.32 N ATOM 792 CA LEU A 55 2.624 -2.360 -5.788 1.00 23.55 C ATOM 793 C LEU A 55 3.691 -2.016 -4.736 1.00 40.42 C ATOM 794 O LEU A 55 3.870 -0.852 -4.368 1.00 51.32 O ATOM 795 CB LEU A 55 1.433 -3.082 -5.129 1.00 34.00 C ATOM 796 CG LEU A 55 0.893 -2.453 -3.829 1.00 42.43 C ATOM 797 CD1 LEU A 55 0.541 -0.978 -4.030 1.00 74.11 C ATOM 798 CD2 LEU A 55 -0.324 -3.231 -3.326 1.00 42.30 C ATOM 0 H LEU A 55 2.719 -4.092 -6.980 1.00 33.32 H new ATOM 0 HA LEU A 55 2.277 -1.424 -6.226 1.00 23.55 H new ATOM 0 HB2 LEU A 55 0.618 -3.129 -5.851 1.00 34.00 H new ATOM 0 HB3 LEU A 55 1.730 -4.109 -4.916 1.00 34.00 H new ATOM 0 HG LEU A 55 1.680 -2.508 -3.077 1.00 42.43 H new ATOM 0 HD11 LEU A 55 0.163 -0.563 -3.095 1.00 74.11 H new ATOM 0 HD12 LEU A 55 1.432 -0.430 -4.336 1.00 74.11 H new ATOM 0 HD13 LEU A 55 -0.223 -0.888 -4.802 1.00 74.11 H new ATOM 0 HD21 LEU A 55 -0.693 -2.775 -2.408 1.00 42.30 H new ATOM 0 HD22 LEU A 55 -1.108 -3.209 -4.083 1.00 42.30 H new ATOM 0 HD23 LEU A 55 -0.039 -4.264 -3.128 1.00 42.30 H new ATOM 810 N VAL A 56 4.404 -3.036 -4.265 1.00 65.11 N ATOM 811 CA VAL A 56 5.452 -2.849 -3.258 1.00 44.40 C ATOM 812 C VAL A 56 6.530 -1.858 -3.732 1.00 30.23 C ATOM 813 O VAL A 56 7.018 -1.041 -2.947 1.00 50.42 O ATOM 814 CB VAL A 56 6.101 -4.205 -2.872 1.00 1.03 C ATOM 815 CG1 VAL A 56 7.267 -4.008 -1.906 1.00 65.42 C ATOM 816 CG2 VAL A 56 5.051 -5.136 -2.265 1.00 70.04 C ATOM 0 H VAL A 56 4.277 -4.003 -4.563 1.00 65.11 H new ATOM 0 HA VAL A 56 4.974 -2.426 -2.374 1.00 44.40 H new ATOM 0 HB VAL A 56 6.497 -4.662 -3.779 1.00 1.03 H new ATOM 0 HG11 VAL A 56 7.700 -4.977 -1.655 1.00 65.42 H new ATOM 0 HG12 VAL A 56 8.026 -3.382 -2.375 1.00 65.42 H new ATOM 0 HG13 VAL A 56 6.909 -3.525 -0.997 1.00 65.42 H new ATOM 0 HG21 VAL A 56 5.517 -6.085 -1.998 1.00 70.04 H new ATOM 0 HG22 VAL A 56 4.628 -4.675 -1.372 1.00 70.04 H new ATOM 0 HG23 VAL A 56 4.258 -5.313 -2.992 1.00 70.04 H new ATOM 826 N LYS A 57 6.888 -1.918 -5.017 1.00 72.05 N ATOM 827 CA LYS A 57 7.865 -0.978 -5.588 1.00 41.43 C ATOM 828 C LYS A 57 7.424 0.480 -5.385 1.00 61.12 C ATOM 829 O LYS A 57 8.167 1.292 -4.831 1.00 32.23 O ATOM 830 CB LYS A 57 8.071 -1.244 -7.086 1.00 41.22 C ATOM 831 CG LYS A 57 8.602 -2.637 -7.403 1.00 32.34 C ATOM 832 CD LYS A 57 8.843 -2.827 -8.898 1.00 22.22 C ATOM 833 CE LYS A 57 9.243 -4.261 -9.226 1.00 75.12 C ATOM 834 NZ LYS A 57 10.428 -4.712 -8.444 1.00 2.31 N ATOM 0 H LYS A 57 6.521 -2.601 -5.680 1.00 72.05 H new ATOM 0 HA LYS A 57 8.807 -1.135 -5.063 1.00 41.43 H new ATOM 0 HB2 LYS A 57 7.122 -1.102 -7.603 1.00 41.22 H new ATOM 0 HB3 LYS A 57 8.765 -0.503 -7.484 1.00 41.22 H new ATOM 0 HG2 LYS A 57 9.533 -2.803 -6.861 1.00 32.34 H new ATOM 0 HG3 LYS A 57 7.891 -3.385 -7.052 1.00 32.34 H new ATOM 0 HD2 LYS A 57 7.939 -2.566 -9.449 1.00 22.22 H new ATOM 0 HD3 LYS A 57 9.626 -2.146 -9.230 1.00 22.22 H new ATOM 0 HE2 LYS A 57 8.403 -4.925 -9.023 1.00 75.12 H new ATOM 0 HE3 LYS A 57 9.462 -4.340 -10.291 1.00 75.12 H new ATOM 0 HZ1 LYS A 57 10.744 -5.638 -8.796 1.00 2.31 H new ATOM 0 HZ2 LYS A 57 11.197 -4.020 -8.550 1.00 2.31 H new ATOM 0 HZ3 LYS A 57 10.171 -4.793 -7.440 1.00 2.31 H new ATOM 848 N GLU A 58 6.201 0.797 -5.816 1.00 2.41 N ATOM 849 CA GLU A 58 5.670 2.162 -5.699 1.00 51.24 C ATOM 850 C GLU A 58 5.633 2.633 -4.234 1.00 64.10 C ATOM 851 O GLU A 58 5.876 3.809 -3.944 1.00 50.23 O ATOM 852 CB GLU A 58 4.270 2.252 -6.326 1.00 3.30 C ATOM 853 CG GLU A 58 4.241 1.923 -7.817 1.00 23.52 C ATOM 854 CD GLU A 58 2.986 2.432 -8.517 1.00 75.43 C ATOM 855 OE1 GLU A 58 1.877 1.971 -8.183 1.00 5.15 O ATOM 856 OE2 GLU A 58 3.105 3.306 -9.403 1.00 42.22 O ATOM 0 H GLU A 58 5.560 0.132 -6.248 1.00 2.41 H new ATOM 0 HA GLU A 58 6.343 2.824 -6.243 1.00 51.24 H new ATOM 0 HB2 GLU A 58 3.602 1.570 -5.800 1.00 3.30 H new ATOM 0 HB3 GLU A 58 3.880 3.259 -6.178 1.00 3.30 H new ATOM 0 HG2 GLU A 58 5.119 2.357 -8.296 1.00 23.52 H new ATOM 0 HG3 GLU A 58 4.309 0.843 -7.946 1.00 23.52 H new ATOM 863 N LEU A 59 5.326 1.713 -3.320 1.00 21.31 N ATOM 864 CA LEU A 59 5.336 2.008 -1.881 1.00 63.33 C ATOM 865 C LEU A 59 6.746 2.390 -1.383 1.00 62.21 C ATOM 866 O LEU A 59 6.920 3.402 -0.701 1.00 23.03 O ATOM 867 CB LEU A 59 4.812 0.798 -1.100 1.00 22.55 C ATOM 868 CG LEU A 59 3.351 0.417 -1.386 1.00 43.25 C ATOM 869 CD1 LEU A 59 2.998 -0.908 -0.720 1.00 44.43 C ATOM 870 CD2 LEU A 59 2.404 1.524 -0.922 1.00 15.44 C ATOM 0 H LEU A 59 5.066 0.753 -3.548 1.00 21.31 H new ATOM 0 HA LEU A 59 4.684 2.865 -1.711 1.00 63.33 H new ATOM 0 HB2 LEU A 59 5.445 -0.061 -1.324 1.00 22.55 H new ATOM 0 HB3 LEU A 59 4.916 1.001 -0.034 1.00 22.55 H new ATOM 0 HG LEU A 59 3.235 0.297 -2.463 1.00 43.25 H new ATOM 0 HD11 LEU A 59 1.959 -1.158 -0.936 1.00 44.43 H new ATOM 0 HD12 LEU A 59 3.648 -1.694 -1.105 1.00 44.43 H new ATOM 0 HD13 LEU A 59 3.134 -0.821 0.358 1.00 44.43 H new ATOM 0 HD21 LEU A 59 1.375 1.235 -1.134 1.00 15.44 H new ATOM 0 HD22 LEU A 59 2.524 1.680 0.150 1.00 15.44 H new ATOM 0 HD23 LEU A 59 2.637 2.448 -1.451 1.00 15.44 H new ATOM 882 N ASN A 60 7.749 1.577 -1.729 1.00 34.13 N ATOM 883 CA ASN A 60 9.140 1.860 -1.342 1.00 50.15 C ATOM 884 C ASN A 60 9.609 3.217 -1.889 1.00 5.33 C ATOM 885 O ASN A 60 10.103 4.062 -1.137 1.00 30.42 O ATOM 886 CB ASN A 60 10.082 0.749 -1.832 1.00 41.45 C ATOM 887 CG ASN A 60 10.044 -0.484 -0.949 1.00 22.45 C ATOM 888 OD1 ASN A 60 10.790 -0.593 0.015 1.00 12.13 O ATOM 889 ND2 ASN A 60 9.180 -1.423 -1.264 1.00 43.21 N ATOM 0 H ASN A 60 7.628 0.722 -2.273 1.00 34.13 H new ATOM 0 HA ASN A 60 9.172 1.897 -0.253 1.00 50.15 H new ATOM 0 HB2 ASN A 60 9.809 0.470 -2.850 1.00 41.45 H new ATOM 0 HB3 ASN A 60 11.101 1.133 -1.869 1.00 41.45 H new ATOM 0 HD21 ASN A 60 9.119 -2.270 -0.699 1.00 43.21 H new ATOM 0 HD22 ASN A 60 8.571 -1.305 -2.073 1.00 43.21 H new ATOM 896 N GLU A 61 9.441 3.415 -3.198 1.00 72.31 N ATOM 897 CA GLU A 61 9.839 4.665 -3.859 1.00 70.52 C ATOM 898 C GLU A 61 9.207 5.888 -3.179 1.00 62.23 C ATOM 899 O GLU A 61 9.863 6.914 -2.992 1.00 64.51 O ATOM 900 CB GLU A 61 9.435 4.633 -5.340 1.00 34.14 C ATOM 901 CG GLU A 61 10.083 3.506 -6.135 1.00 55.40 C ATOM 902 CD GLU A 61 9.644 3.489 -7.591 1.00 30.22 C ATOM 903 OE1 GLU A 61 8.584 2.898 -7.894 1.00 24.02 O ATOM 904 OE2 GLU A 61 10.346 4.077 -8.440 1.00 33.32 O ATOM 0 H GLU A 61 9.030 2.724 -3.826 1.00 72.31 H new ATOM 0 HA GLU A 61 10.922 4.751 -3.777 1.00 70.52 H new ATOM 0 HB2 GLU A 61 8.352 4.536 -5.408 1.00 34.14 H new ATOM 0 HB3 GLU A 61 9.699 5.586 -5.799 1.00 34.14 H new ATOM 0 HG2 GLU A 61 11.167 3.610 -6.088 1.00 55.40 H new ATOM 0 HG3 GLU A 61 9.834 2.551 -5.673 1.00 55.40 H new ATOM 911 N TYR A 62 7.933 5.766 -2.805 1.00 62.23 N ATOM 912 CA TYR A 62 7.204 6.852 -2.141 1.00 11.01 C ATOM 913 C TYR A 62 7.912 7.329 -0.860 1.00 1.31 C ATOM 914 O TYR A 62 8.154 8.523 -0.682 1.00 10.43 O ATOM 915 CB TYR A 62 5.776 6.404 -1.812 1.00 24.42 C ATOM 916 CG TYR A 62 4.975 7.440 -1.045 1.00 21.44 C ATOM 917 CD1 TYR A 62 4.472 8.572 -1.681 1.00 72.31 C ATOM 918 CD2 TYR A 62 4.727 7.287 0.316 1.00 50.44 C ATOM 919 CE1 TYR A 62 3.748 9.518 -0.982 1.00 1.34 C ATOM 920 CE2 TYR A 62 4.004 8.228 1.017 1.00 61.12 C ATOM 921 CZ TYR A 62 3.515 9.341 0.364 1.00 72.03 C ATOM 922 OH TYR A 62 2.798 10.283 1.065 1.00 43.41 O ATOM 0 H TYR A 62 7.380 4.921 -2.951 1.00 62.23 H new ATOM 0 HA TYR A 62 7.175 7.694 -2.833 1.00 11.01 H new ATOM 0 HB2 TYR A 62 5.255 6.169 -2.740 1.00 24.42 H new ATOM 0 HB3 TYR A 62 5.818 5.485 -1.228 1.00 24.42 H new ATOM 0 HD1 TYR A 62 4.651 8.712 -2.737 1.00 72.31 H new ATOM 0 HD2 TYR A 62 5.107 6.417 0.831 1.00 50.44 H new ATOM 0 HE1 TYR A 62 3.366 10.392 -1.488 1.00 1.34 H new ATOM 0 HE2 TYR A 62 3.821 8.095 2.073 1.00 61.12 H new ATOM 0 HH TYR A 62 2.638 9.961 1.976 1.00 43.41 H new ATOM 932 N PHE A 63 8.242 6.395 0.030 1.00 44.22 N ATOM 933 CA PHE A 63 8.953 6.739 1.267 1.00 24.25 C ATOM 934 C PHE A 63 10.340 7.341 0.971 1.00 51.00 C ATOM 935 O PHE A 63 10.807 8.225 1.691 1.00 15.00 O ATOM 936 CB PHE A 63 9.076 5.512 2.183 1.00 64.30 C ATOM 937 CG PHE A 63 7.796 5.160 2.911 1.00 23.02 C ATOM 938 CD1 PHE A 63 7.424 5.856 4.055 1.00 63.41 C ATOM 939 CD2 PHE A 63 6.978 4.128 2.469 1.00 62.41 C ATOM 940 CE1 PHE A 63 6.265 5.534 4.738 1.00 62.51 C ATOM 941 CE2 PHE A 63 5.814 3.806 3.149 1.00 11.32 C ATOM 942 CZ PHE A 63 5.461 4.507 4.287 1.00 71.45 C ATOM 0 H PHE A 63 8.032 5.403 -0.077 1.00 44.22 H new ATOM 0 HA PHE A 63 8.367 7.498 1.785 1.00 24.25 H new ATOM 0 HB2 PHE A 63 9.391 4.656 1.587 1.00 64.30 H new ATOM 0 HB3 PHE A 63 9.861 5.695 2.917 1.00 64.30 H new ATOM 0 HD1 PHE A 63 8.049 6.660 4.416 1.00 63.41 H new ATOM 0 HD2 PHE A 63 7.252 3.570 1.586 1.00 62.41 H new ATOM 0 HE1 PHE A 63 5.989 6.086 5.624 1.00 62.51 H new ATOM 0 HE2 PHE A 63 5.182 3.007 2.790 1.00 11.32 H new ATOM 0 HZ PHE A 63 4.558 4.252 4.822 1.00 71.45 H new