USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=11 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 177:sc= -1.86 (180deg=-0.289) USER MOD Set 1.2: A 45 CYS SG : rot 77:sc= -3.67! USER MOD Single : A 4 THR OG1 : rot -160:sc= -0.586 USER MOD Single : A 5 LYS NZ :NH3+ 178:sc= 0.739 (180deg=0.737) USER MOD Single : A 7 MET CE :methyl 173:sc= 0 (180deg=-0.0352) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 15 MET CE :methyl -117:sc= -0.652 (180deg=-4.49!) USER MOD Single : A 19 THR OG1 : rot -76:sc= -0.0705 USER MOD Single : A 25 ASN : amide:sc= 0.13 X(o=0.13,f=-0.23) USER MOD Single : A 26 ASN : amide:sc= -0.495! K(o=-0.5!,f=-1.1) USER MOD Single : A 40 SER OG : rot -102:sc= 0.00073 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -171:sc=-0.00125 (180deg=-0.0929) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc=-0.00709 (180deg=-0.121) USER MOD Single : A 60 ASN : amide:sc= -0.892! X(o=-0.89!,f=-0.54) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.04! USER MOD ----------------------------------------------------------------- ATOM 42 N ILE A 3 9.788 -1.756 2.561 1.00 52.11 N ATOM 43 CA ILE A 3 8.451 -2.309 2.306 1.00 13.15 C ATOM 44 C ILE A 3 8.504 -3.647 1.551 1.00 43.31 C ATOM 45 O ILE A 3 9.178 -3.774 0.527 1.00 74.34 O ATOM 46 CB ILE A 3 7.570 -1.313 1.508 1.00 1.25 C ATOM 47 CG1 ILE A 3 7.473 0.033 2.247 1.00 4.10 C ATOM 48 CG2 ILE A 3 6.177 -1.896 1.264 1.00 2.03 C ATOM 49 CD1 ILE A 3 6.859 -0.065 3.630 1.00 62.01 C ATOM 0 HA ILE A 3 8.008 -2.484 3.286 1.00 13.15 H new ATOM 0 HB ILE A 3 8.040 -1.141 0.540 1.00 1.25 H new ATOM 0 HG12 ILE A 3 8.472 0.461 2.334 1.00 4.10 H new ATOM 0 HG13 ILE A 3 6.881 0.724 1.646 1.00 4.10 H new ATOM 0 HG21 ILE A 3 5.576 -1.180 0.703 1.00 2.03 H new ATOM 0 HG22 ILE A 3 6.264 -2.822 0.695 1.00 2.03 H new ATOM 0 HG23 ILE A 3 5.696 -2.102 2.220 1.00 2.03 H new ATOM 0 HD11 ILE A 3 6.826 0.925 4.085 1.00 62.01 H new ATOM 0 HD12 ILE A 3 5.847 -0.462 3.551 1.00 62.01 H new ATOM 0 HD13 ILE A 3 7.462 -0.729 4.250 1.00 62.01 H new ATOM 61 N THR A 4 7.781 -4.637 2.069 1.00 44.15 N ATOM 62 CA THR A 4 7.665 -5.951 1.420 1.00 60.41 C ATOM 63 C THR A 4 6.199 -6.256 1.093 1.00 14.24 C ATOM 64 O THR A 4 5.293 -5.586 1.589 1.00 3.22 O ATOM 65 CB THR A 4 8.201 -7.095 2.319 1.00 24.01 C ATOM 66 OG1 THR A 4 7.288 -7.332 3.402 1.00 1.32 O ATOM 67 CG2 THR A 4 9.583 -6.766 2.878 1.00 34.51 C ATOM 0 H THR A 4 7.261 -4.558 2.943 1.00 44.15 H new ATOM 0 HA THR A 4 8.264 -5.903 0.510 1.00 60.41 H new ATOM 0 HB THR A 4 8.288 -7.991 1.705 1.00 24.01 H new ATOM 0 HG1 THR A 4 7.752 -7.805 4.124 1.00 1.32 H new ATOM 0 HG21 THR A 4 9.928 -7.589 3.503 1.00 34.51 H new ATOM 0 HG22 THR A 4 10.282 -6.617 2.055 1.00 34.51 H new ATOM 0 HG23 THR A 4 9.527 -5.856 3.475 1.00 34.51 H new ATOM 75 N LYS A 5 5.958 -7.281 0.275 1.00 50.02 N ATOM 76 CA LYS A 5 4.585 -7.689 -0.049 1.00 15.44 C ATOM 77 C LYS A 5 3.935 -8.421 1.140 1.00 13.41 C ATOM 78 O LYS A 5 2.733 -8.682 1.146 1.00 1.41 O ATOM 79 CB LYS A 5 4.573 -8.570 -1.312 1.00 30.23 C ATOM 80 CG LYS A 5 5.353 -9.877 -1.177 1.00 65.32 C ATOM 81 CD LYS A 5 5.500 -10.602 -2.518 1.00 32.40 C ATOM 82 CE LYS A 5 6.357 -9.810 -3.505 1.00 50.40 C ATOM 83 NZ LYS A 5 6.559 -10.538 -4.787 1.00 30.30 N ATOM 0 H LYS A 5 6.684 -7.840 -0.172 1.00 50.02 H new ATOM 0 HA LYS A 5 3.997 -6.793 -0.250 1.00 15.44 H new ATOM 0 HB2 LYS A 5 3.539 -8.803 -1.568 1.00 30.23 H new ATOM 0 HB3 LYS A 5 4.986 -7.998 -2.143 1.00 30.23 H new ATOM 0 HG2 LYS A 5 6.342 -9.668 -0.768 1.00 65.32 H new ATOM 0 HG3 LYS A 5 4.846 -10.530 -0.466 1.00 65.32 H new ATOM 0 HD2 LYS A 5 5.948 -11.582 -2.353 1.00 32.40 H new ATOM 0 HD3 LYS A 5 4.513 -10.771 -2.949 1.00 32.40 H new ATOM 0 HE2 LYS A 5 5.882 -8.850 -3.706 1.00 50.40 H new ATOM 0 HE3 LYS A 5 7.326 -9.598 -3.053 1.00 50.40 H new ATOM 0 HZ1 LYS A 5 7.117 -9.948 -5.437 1.00 30.30 H new ATOM 0 HZ2 LYS A 5 7.066 -11.428 -4.605 1.00 30.30 H new ATOM 0 HZ3 LYS A 5 5.635 -10.748 -5.216 1.00 30.30 H new ATOM 97 N ASP A 6 4.747 -8.720 2.154 1.00 53.24 N ATOM 98 CA ASP A 6 4.295 -9.423 3.357 1.00 31.53 C ATOM 99 C ASP A 6 3.648 -8.461 4.374 1.00 12.41 C ATOM 100 O ASP A 6 2.817 -8.867 5.191 1.00 43.43 O ATOM 101 CB ASP A 6 5.495 -10.143 3.988 1.00 32.24 C ATOM 102 CG ASP A 6 5.126 -10.931 5.232 1.00 20.01 C ATOM 103 OD1 ASP A 6 4.580 -12.046 5.094 1.00 12.22 O ATOM 104 OD2 ASP A 6 5.384 -10.440 6.350 1.00 41.25 O ATOM 0 H ASP A 6 5.739 -8.482 2.165 1.00 53.24 H new ATOM 0 HA ASP A 6 3.531 -10.146 3.073 1.00 31.53 H new ATOM 0 HB2 ASP A 6 5.934 -10.818 3.254 1.00 32.24 H new ATOM 0 HB3 ASP A 6 6.259 -9.409 4.243 1.00 32.24 H new ATOM 109 N MET A 7 4.027 -7.188 4.304 1.00 53.33 N ATOM 110 CA MET A 7 3.563 -6.174 5.262 1.00 20.40 C ATOM 111 C MET A 7 2.051 -5.903 5.153 1.00 13.32 C ATOM 112 O MET A 7 1.430 -6.149 4.117 1.00 12.42 O ATOM 113 CB MET A 7 4.355 -4.873 5.062 1.00 41.21 C ATOM 114 CG MET A 7 5.827 -5.005 5.424 1.00 33.44 C ATOM 115 SD MET A 7 6.759 -3.487 5.139 1.00 34.14 S ATOM 116 CE MET A 7 8.344 -3.925 5.850 1.00 73.12 C ATOM 0 H MET A 7 4.659 -6.826 3.590 1.00 53.33 H new ATOM 0 HA MET A 7 3.740 -6.565 6.264 1.00 20.40 H new ATOM 0 HB2 MET A 7 4.270 -4.560 4.021 1.00 41.21 H new ATOM 0 HB3 MET A 7 3.907 -4.086 5.669 1.00 41.21 H new ATOM 0 HG2 MET A 7 5.914 -5.287 6.473 1.00 33.44 H new ATOM 0 HG3 MET A 7 6.269 -5.812 4.839 1.00 33.44 H new ATOM 0 HE1 MET A 7 9.067 -3.136 5.642 1.00 73.12 H new ATOM 0 HE2 MET A 7 8.238 -4.045 6.928 1.00 73.12 H new ATOM 0 HE3 MET A 7 8.692 -4.861 5.413 1.00 73.12 H new ATOM 126 N ILE A 8 1.471 -5.394 6.241 1.00 35.01 N ATOM 127 CA ILE A 8 0.039 -5.068 6.290 1.00 13.33 C ATOM 128 C ILE A 8 -0.241 -3.694 5.651 1.00 1.10 C ATOM 129 O ILE A 8 0.446 -2.713 5.942 1.00 64.10 O ATOM 130 CB ILE A 8 -0.483 -5.063 7.754 1.00 63.03 C ATOM 131 CG1 ILE A 8 -0.187 -6.408 8.444 1.00 30.34 C ATOM 132 CG2 ILE A 8 -1.981 -4.749 7.798 1.00 74.13 C ATOM 133 CD1 ILE A 8 -0.831 -7.607 7.774 1.00 71.32 C ATOM 0 H ILE A 8 1.972 -5.196 7.107 1.00 35.01 H new ATOM 0 HA ILE A 8 -0.484 -5.839 5.724 1.00 13.33 H new ATOM 0 HB ILE A 8 0.043 -4.278 8.298 1.00 63.03 H new ATOM 0 HG12 ILE A 8 0.892 -6.559 8.473 1.00 30.34 H new ATOM 0 HG13 ILE A 8 -0.530 -6.356 9.477 1.00 30.34 H new ATOM 0 HG21 ILE A 8 -2.323 -4.751 8.833 1.00 74.13 H new ATOM 0 HG22 ILE A 8 -2.160 -3.768 7.359 1.00 74.13 H new ATOM 0 HG23 ILE A 8 -2.528 -5.504 7.234 1.00 74.13 H new ATOM 0 HD11 ILE A 8 -0.572 -8.513 8.323 1.00 71.32 H new ATOM 0 HD12 ILE A 8 -1.914 -7.483 7.769 1.00 71.32 H new ATOM 0 HD13 ILE A 8 -0.470 -7.688 6.749 1.00 71.32 H new ATOM 145 N ILE A 9 -1.265 -3.625 4.800 1.00 41.42 N ATOM 146 CA ILE A 9 -1.603 -2.382 4.087 1.00 40.13 C ATOM 147 C ILE A 9 -1.891 -1.215 5.054 1.00 70.24 C ATOM 148 O ILE A 9 -1.328 -0.127 4.911 1.00 12.14 O ATOM 149 CB ILE A 9 -2.816 -2.595 3.147 1.00 33.32 C ATOM 150 CG1 ILE A 9 -2.484 -3.674 2.098 1.00 1.35 C ATOM 151 CG2 ILE A 9 -3.216 -1.284 2.471 1.00 73.22 C ATOM 152 CD1 ILE A 9 -3.588 -3.924 1.090 1.00 1.21 C ATOM 0 H ILE A 9 -1.877 -4.412 4.584 1.00 41.42 H new ATOM 0 HA ILE A 9 -0.730 -2.116 3.492 1.00 40.13 H new ATOM 0 HB ILE A 9 -3.664 -2.935 3.741 1.00 33.32 H new ATOM 0 HG12 ILE A 9 -1.580 -3.379 1.564 1.00 1.35 H new ATOM 0 HG13 ILE A 9 -2.260 -4.608 2.613 1.00 1.35 H new ATOM 0 HG21 ILE A 9 -4.070 -1.458 1.816 1.00 73.22 H new ATOM 0 HG22 ILE A 9 -3.485 -0.550 3.231 1.00 73.22 H new ATOM 0 HG23 ILE A 9 -2.379 -0.907 1.884 1.00 73.22 H new ATOM 0 HD11 ILE A 9 -3.273 -4.697 0.389 1.00 1.21 H new ATOM 0 HD12 ILE A 9 -4.488 -4.251 1.610 1.00 1.21 H new ATOM 0 HD13 ILE A 9 -3.798 -3.004 0.545 1.00 1.21 H new ATOM 164 N ALA A 10 -2.761 -1.444 6.039 1.00 4.20 N ATOM 165 CA ALA A 10 -3.093 -0.411 7.032 1.00 45.30 C ATOM 166 C ALA A 10 -1.849 0.048 7.811 1.00 20.13 C ATOM 167 O ALA A 10 -1.695 1.231 8.116 1.00 60.20 O ATOM 168 CB ALA A 10 -4.157 -0.916 7.997 1.00 70.04 C ATOM 0 H ALA A 10 -3.248 -2.330 6.174 1.00 4.20 H new ATOM 0 HA ALA A 10 -3.485 0.448 6.488 1.00 45.30 H new ATOM 0 HB1 ALA A 10 -4.388 -0.137 8.723 1.00 70.04 H new ATOM 0 HB2 ALA A 10 -5.059 -1.174 7.442 1.00 70.04 H new ATOM 0 HB3 ALA A 10 -3.786 -1.799 8.518 1.00 70.04 H new ATOM 174 N ASP A 11 -0.962 -0.901 8.120 1.00 42.01 N ATOM 175 CA ASP A 11 0.281 -0.605 8.841 1.00 74.14 C ATOM 176 C ASP A 11 1.139 0.405 8.058 1.00 32.30 C ATOM 177 O ASP A 11 1.665 1.366 8.625 1.00 55.32 O ATOM 178 CB ASP A 11 1.059 -1.907 9.087 1.00 54.24 C ATOM 179 CG ASP A 11 2.251 -1.718 10.008 1.00 11.41 C ATOM 180 OD1 ASP A 11 2.039 -1.451 11.209 1.00 3.31 O ATOM 181 OD2 ASP A 11 3.404 -1.847 9.544 1.00 51.21 O ATOM 0 H ASP A 11 -1.081 -1.885 7.881 1.00 42.01 H new ATOM 0 HA ASP A 11 0.033 -0.155 9.802 1.00 74.14 H new ATOM 0 HB2 ASP A 11 0.388 -2.650 9.518 1.00 54.24 H new ATOM 0 HB3 ASP A 11 1.403 -2.304 8.132 1.00 54.24 H new ATOM 186 N VAL A 12 1.251 0.188 6.747 1.00 30.33 N ATOM 187 CA VAL A 12 1.949 1.126 5.859 1.00 33.23 C ATOM 188 C VAL A 12 1.283 2.514 5.885 1.00 33.41 C ATOM 189 O VAL A 12 1.962 3.545 5.933 1.00 43.23 O ATOM 190 CB VAL A 12 1.984 0.600 4.398 1.00 15.02 C ATOM 191 CG1 VAL A 12 2.737 1.566 3.480 1.00 73.54 C ATOM 192 CG2 VAL A 12 2.600 -0.799 4.344 1.00 4.41 C ATOM 0 H VAL A 12 0.867 -0.630 6.273 1.00 30.33 H new ATOM 0 HA VAL A 12 2.971 1.214 6.227 1.00 33.23 H new ATOM 0 HB VAL A 12 0.957 0.535 4.038 1.00 15.02 H new ATOM 0 HG11 VAL A 12 2.745 1.171 2.464 1.00 73.54 H new ATOM 0 HG12 VAL A 12 2.241 2.537 3.488 1.00 73.54 H new ATOM 0 HG13 VAL A 12 3.762 1.679 3.833 1.00 73.54 H new ATOM 0 HG21 VAL A 12 2.616 -1.150 3.312 1.00 4.41 H new ATOM 0 HG22 VAL A 12 3.619 -0.763 4.731 1.00 4.41 H new ATOM 0 HG23 VAL A 12 2.005 -1.482 4.951 1.00 4.41 H new ATOM 202 N LEU A 13 -0.053 2.528 5.869 1.00 14.31 N ATOM 203 CA LEU A 13 -0.826 3.776 5.935 1.00 70.11 C ATOM 204 C LEU A 13 -0.544 4.558 7.229 1.00 63.12 C ATOM 205 O LEU A 13 -0.556 5.791 7.235 1.00 23.12 O ATOM 206 CB LEU A 13 -2.330 3.472 5.835 1.00 54.32 C ATOM 207 CG LEU A 13 -2.787 2.820 4.519 1.00 64.44 C ATOM 208 CD1 LEU A 13 -4.286 2.535 4.551 1.00 1.43 C ATOM 209 CD2 LEU A 13 -2.428 3.704 3.328 1.00 21.52 C ATOM 0 H LEU A 13 -0.626 1.686 5.811 1.00 14.31 H new ATOM 0 HA LEU A 13 -0.517 4.396 5.093 1.00 70.11 H new ATOM 0 HB2 LEU A 13 -2.606 2.816 6.660 1.00 54.32 H new ATOM 0 HB3 LEU A 13 -2.881 4.403 5.970 1.00 54.32 H new ATOM 0 HG LEU A 13 -2.264 1.870 4.407 1.00 64.44 H new ATOM 0 HD11 LEU A 13 -4.589 2.074 3.611 1.00 1.43 H new ATOM 0 HD12 LEU A 13 -4.510 1.858 5.376 1.00 1.43 H new ATOM 0 HD13 LEU A 13 -4.831 3.469 4.689 1.00 1.43 H new ATOM 0 HD21 LEU A 13 -2.760 3.225 2.407 1.00 21.52 H new ATOM 0 HD22 LEU A 13 -2.920 4.671 3.432 1.00 21.52 H new ATOM 0 HD23 LEU A 13 -1.348 3.848 3.294 1.00 21.52 H new ATOM 221 N GLN A 14 -0.301 3.838 8.323 1.00 74.41 N ATOM 222 CA GLN A 14 0.011 4.472 9.610 1.00 52.14 C ATOM 223 C GLN A 14 1.391 5.152 9.590 1.00 51.15 C ATOM 224 O GLN A 14 1.659 6.056 10.381 1.00 13.41 O ATOM 225 CB GLN A 14 -0.049 3.441 10.747 1.00 13.00 C ATOM 226 CG GLN A 14 -1.433 2.826 10.942 1.00 41.34 C ATOM 227 CD GLN A 14 -1.500 1.879 12.130 1.00 34.53 C ATOM 228 OE1 GLN A 14 -0.517 1.244 12.496 1.00 61.04 O ATOM 229 NE2 GLN A 14 -2.664 1.779 12.747 1.00 60.11 N ATOM 0 H GLN A 14 -0.313 2.818 8.348 1.00 74.41 H new ATOM 0 HA GLN A 14 -0.741 5.242 9.784 1.00 52.14 H new ATOM 0 HB2 GLN A 14 0.667 2.645 10.543 1.00 13.00 H new ATOM 0 HB3 GLN A 14 0.261 3.919 11.676 1.00 13.00 H new ATOM 0 HG2 GLN A 14 -2.163 3.624 11.079 1.00 41.34 H new ATOM 0 HG3 GLN A 14 -1.716 2.287 10.038 1.00 41.34 H new ATOM 0 HE21 GLN A 14 -3.464 2.321 12.418 1.00 60.11 H new ATOM 0 HE22 GLN A 14 -2.763 1.160 13.552 1.00 60.11 H new ATOM 238 N MET A 15 2.264 4.708 8.689 1.00 73.34 N ATOM 239 CA MET A 15 3.591 5.317 8.543 1.00 1.50 C ATOM 240 C MET A 15 3.507 6.561 7.652 1.00 61.12 C ATOM 241 O MET A 15 4.072 7.609 7.969 1.00 5.32 O ATOM 242 CB MET A 15 4.588 4.304 7.961 1.00 14.23 C ATOM 243 CG MET A 15 4.462 2.925 8.589 1.00 75.02 C ATOM 244 SD MET A 15 5.877 1.851 8.269 1.00 0.13 S ATOM 245 CE MET A 15 5.750 1.622 6.501 1.00 2.25 C ATOM 0 H MET A 15 2.082 3.934 8.051 1.00 73.34 H new ATOM 0 HA MET A 15 3.946 5.618 9.529 1.00 1.50 H new ATOM 0 HB2 MET A 15 4.431 4.224 6.885 1.00 14.23 H new ATOM 0 HB3 MET A 15 5.603 4.674 8.109 1.00 14.23 H new ATOM 0 HG2 MET A 15 4.337 3.036 9.666 1.00 75.02 H new ATOM 0 HG3 MET A 15 3.559 2.444 8.211 1.00 75.02 H new ATOM 0 HE1 MET A 15 5.575 0.569 6.282 1.00 2.25 H new ATOM 0 HE2 MET A 15 4.920 2.215 6.116 1.00 2.25 H new ATOM 0 HE3 MET A 15 6.677 1.943 6.025 1.00 2.25 H new ATOM 255 N ASP A 16 2.796 6.429 6.535 1.00 10.41 N ATOM 256 CA ASP A 16 2.507 7.574 5.660 1.00 45.05 C ATOM 257 C ASP A 16 1.185 7.359 4.890 1.00 11.25 C ATOM 258 O ASP A 16 1.090 6.477 4.033 1.00 73.33 O ATOM 259 CB ASP A 16 3.669 7.808 4.681 1.00 20.43 C ATOM 260 CG ASP A 16 3.642 9.204 4.077 1.00 20.10 C ATOM 261 OD1 ASP A 16 2.718 9.502 3.298 1.00 51.13 O ATOM 262 OD2 ASP A 16 4.532 10.020 4.399 1.00 63.20 O ATOM 0 H ASP A 16 2.407 5.544 6.210 1.00 10.41 H new ATOM 0 HA ASP A 16 2.395 8.460 6.285 1.00 45.05 H new ATOM 0 HB2 ASP A 16 4.615 7.658 5.201 1.00 20.43 H new ATOM 0 HB3 ASP A 16 3.623 7.068 3.882 1.00 20.43 H new ATOM 267 N ARG A 17 0.172 8.172 5.200 1.00 30.13 N ATOM 268 CA ARG A 17 -1.146 8.069 4.545 1.00 52.21 C ATOM 269 C ARG A 17 -1.099 8.427 3.049 1.00 61.10 C ATOM 270 O ARG A 17 -2.059 8.180 2.313 1.00 22.44 O ATOM 271 CB ARG A 17 -2.170 8.957 5.268 1.00 20.41 C ATOM 272 CG ARG A 17 -2.675 8.365 6.581 1.00 74.00 C ATOM 273 CD ARG A 17 -3.492 7.098 6.335 1.00 10.14 C ATOM 274 NE ARG A 17 -4.071 6.546 7.561 1.00 62.41 N ATOM 275 CZ ARG A 17 -5.308 6.138 7.667 1.00 14.22 C ATOM 276 NH1 ARG A 17 -6.131 6.255 6.672 1.00 21.35 N ATOM 277 NH2 ARG A 17 -5.731 5.622 8.771 1.00 11.14 N ATOM 0 H ARG A 17 0.234 8.911 5.900 1.00 30.13 H new ATOM 0 HA ARG A 17 -1.451 7.025 4.613 1.00 52.21 H new ATOM 0 HB2 ARG A 17 -1.719 9.929 5.467 1.00 20.41 H new ATOM 0 HB3 ARG A 17 -3.019 9.130 4.607 1.00 20.41 H new ATOM 0 HG2 ARG A 17 -1.829 8.136 7.229 1.00 74.00 H new ATOM 0 HG3 ARG A 17 -3.287 9.100 7.103 1.00 74.00 H new ATOM 0 HD2 ARG A 17 -4.292 7.319 5.629 1.00 10.14 H new ATOM 0 HD3 ARG A 17 -2.855 6.346 5.869 1.00 10.14 H new ATOM 0 HE ARG A 17 -3.472 6.475 8.383 1.00 62.41 H new ATOM 0 HH11 ARG A 17 -5.815 6.669 5.795 1.00 21.35 H new ATOM 0 HH12 ARG A 17 -7.094 5.933 6.766 1.00 21.35 H new ATOM 0 HH21 ARG A 17 -5.099 5.531 9.566 1.00 11.14 H new ATOM 0 HH22 ARG A 17 -6.697 5.305 8.849 1.00 11.14 H new ATOM 291 N GLY A 18 0.012 9.002 2.603 1.00 4.15 N ATOM 292 CA GLY A 18 0.187 9.310 1.189 1.00 64.42 C ATOM 293 C GLY A 18 0.366 8.062 0.326 1.00 34.34 C ATOM 294 O GLY A 18 0.358 8.137 -0.903 1.00 74.13 O ATOM 0 H GLY A 18 0.800 9.263 3.196 1.00 4.15 H new ATOM 0 HA2 GLY A 18 -0.679 9.870 0.834 1.00 64.42 H new ATOM 0 HA3 GLY A 18 1.056 9.957 1.068 1.00 64.42 H new ATOM 298 N THR A 19 0.536 6.910 0.973 1.00 11.02 N ATOM 299 CA THR A 19 0.638 5.627 0.266 1.00 51.14 C ATOM 300 C THR A 19 -0.741 5.106 -0.168 1.00 25.44 C ATOM 301 O THR A 19 -0.839 4.225 -1.025 1.00 31.22 O ATOM 302 CB THR A 19 1.314 4.547 1.142 1.00 74.14 C ATOM 303 OG1 THR A 19 0.560 4.346 2.345 1.00 62.11 O ATOM 304 CG2 THR A 19 2.744 4.942 1.492 1.00 53.43 C ATOM 0 H THR A 19 0.607 6.835 1.988 1.00 11.02 H new ATOM 0 HA THR A 19 1.249 5.816 -0.617 1.00 51.14 H new ATOM 0 HB THR A 19 1.342 3.618 0.572 1.00 74.14 H new ATOM 0 HG1 THR A 19 0.729 5.086 2.965 1.00 62.11 H new ATOM 0 HG21 THR A 19 3.196 4.165 2.109 1.00 53.43 H new ATOM 0 HG22 THR A 19 3.323 5.061 0.576 1.00 53.43 H new ATOM 0 HG23 THR A 19 2.737 5.883 2.042 1.00 53.43 H new ATOM 312 N ALA A 20 -1.805 5.662 0.420 1.00 30.24 N ATOM 313 CA ALA A 20 -3.177 5.230 0.115 1.00 70.41 C ATOM 314 C ALA A 20 -3.507 5.337 -1.392 1.00 1.02 C ATOM 315 O ALA A 20 -3.966 4.360 -1.988 1.00 42.12 O ATOM 316 CB ALA A 20 -4.188 6.006 0.958 1.00 32.03 C ATOM 0 H ALA A 20 -1.745 6.411 1.109 1.00 30.24 H new ATOM 0 HA ALA A 20 -3.247 4.174 0.376 1.00 70.41 H new ATOM 0 HB1 ALA A 20 -5.197 5.671 0.716 1.00 32.03 H new ATOM 0 HB2 ALA A 20 -3.991 5.831 2.016 1.00 32.03 H new ATOM 0 HB3 ALA A 20 -4.099 7.071 0.744 1.00 32.03 H new ATOM 322 N PRO A 21 -3.280 6.509 -2.038 1.00 60.35 N ATOM 323 CA PRO A 21 -3.474 6.650 -3.495 1.00 52.41 C ATOM 324 C PRO A 21 -2.719 5.578 -4.293 1.00 40.22 C ATOM 325 O PRO A 21 -3.212 5.068 -5.297 1.00 23.40 O ATOM 326 CB PRO A 21 -2.908 8.039 -3.805 1.00 2.43 C ATOM 327 CG PRO A 21 -2.989 8.793 -2.520 1.00 53.21 C ATOM 328 CD PRO A 21 -2.849 7.780 -1.416 1.00 70.12 C ATOM 0 HA PRO A 21 -4.521 6.531 -3.774 1.00 52.41 H new ATOM 0 HB2 PRO A 21 -1.879 7.974 -4.159 1.00 2.43 H new ATOM 0 HB3 PRO A 21 -3.484 8.533 -4.588 1.00 2.43 H new ATOM 0 HG2 PRO A 21 -2.200 9.542 -2.460 1.00 53.21 H new ATOM 0 HG3 PRO A 21 -3.938 9.323 -2.441 1.00 53.21 H new ATOM 0 HD2 PRO A 21 -1.821 7.720 -1.057 1.00 70.12 H new ATOM 0 HD3 PRO A 21 -3.472 8.036 -0.559 1.00 70.12 H new ATOM 336 N ILE A 22 -1.515 5.244 -3.832 1.00 35.54 N ATOM 337 CA ILE A 22 -0.697 4.201 -4.466 1.00 71.33 C ATOM 338 C ILE A 22 -1.393 2.832 -4.398 1.00 73.13 C ATOM 339 O ILE A 22 -1.460 2.104 -5.391 1.00 35.23 O ATOM 340 CB ILE A 22 0.697 4.103 -3.797 1.00 60.24 C ATOM 341 CG1 ILE A 22 1.404 5.469 -3.840 1.00 53.45 C ATOM 342 CG2 ILE A 22 1.551 3.027 -4.468 1.00 42.22 C ATOM 343 CD1 ILE A 22 2.741 5.491 -3.130 1.00 1.10 C ATOM 0 H ILE A 22 -1.079 5.680 -3.019 1.00 35.54 H new ATOM 0 HA ILE A 22 -0.571 4.482 -5.512 1.00 71.33 H new ATOM 0 HB ILE A 22 0.560 3.816 -2.754 1.00 60.24 H new ATOM 0 HG12 ILE A 22 1.552 5.758 -4.881 1.00 53.45 H new ATOM 0 HG13 ILE A 22 0.753 6.218 -3.390 1.00 53.45 H new ATOM 0 HG21 ILE A 22 2.524 2.978 -3.980 1.00 42.22 H new ATOM 0 HG22 ILE A 22 1.053 2.061 -4.382 1.00 42.22 H new ATOM 0 HG23 ILE A 22 1.685 3.273 -5.521 1.00 42.22 H new ATOM 0 HD11 ILE A 22 3.176 6.488 -3.205 1.00 1.10 H new ATOM 0 HD12 ILE A 22 2.600 5.234 -2.080 1.00 1.10 H new ATOM 0 HD13 ILE A 22 3.411 4.767 -3.593 1.00 1.10 H new ATOM 355 N PHE A 23 -1.913 2.480 -3.222 1.00 73.33 N ATOM 356 CA PHE A 23 -2.699 1.252 -3.074 1.00 34.34 C ATOM 357 C PHE A 23 -3.925 1.271 -4.005 1.00 21.43 C ATOM 358 O PHE A 23 -4.206 0.292 -4.701 1.00 3.12 O ATOM 359 CB PHE A 23 -3.147 1.057 -1.615 1.00 0.23 C ATOM 360 CG PHE A 23 -2.031 0.669 -0.673 1.00 53.01 C ATOM 361 CD1 PHE A 23 -1.384 -0.551 -0.813 1.00 74.31 C ATOM 362 CD2 PHE A 23 -1.633 1.518 0.351 1.00 31.41 C ATOM 363 CE1 PHE A 23 -0.366 -0.915 0.045 1.00 32.54 C ATOM 364 CE2 PHE A 23 -0.613 1.155 1.212 1.00 62.10 C ATOM 365 CZ PHE A 23 0.021 -0.061 1.058 1.00 55.35 C ATOM 0 H PHE A 23 -1.806 3.021 -2.364 1.00 73.33 H new ATOM 0 HA PHE A 23 -2.061 0.414 -3.355 1.00 34.34 H new ATOM 0 HB2 PHE A 23 -3.603 1.981 -1.260 1.00 0.23 H new ATOM 0 HB3 PHE A 23 -3.919 0.288 -1.583 1.00 0.23 H new ATOM 0 HD1 PHE A 23 -1.681 -1.224 -1.604 1.00 74.31 H new ATOM 0 HD2 PHE A 23 -2.125 2.471 0.477 1.00 31.41 H new ATOM 0 HE1 PHE A 23 0.128 -1.868 -0.076 1.00 32.54 H new ATOM 0 HE2 PHE A 23 -0.313 1.824 2.005 1.00 62.10 H new ATOM 0 HZ PHE A 23 0.819 -0.344 1.729 1.00 55.35 H new ATOM 375 N ILE A 24 -4.641 2.397 -4.022 1.00 32.23 N ATOM 376 CA ILE A 24 -5.803 2.571 -4.907 1.00 70.33 C ATOM 377 C ILE A 24 -5.402 2.430 -6.387 1.00 33.40 C ATOM 378 O ILE A 24 -6.141 1.858 -7.192 1.00 42.02 O ATOM 379 CB ILE A 24 -6.480 3.951 -4.681 1.00 0.54 C ATOM 380 CG1 ILE A 24 -6.940 4.082 -3.220 1.00 52.34 C ATOM 381 CG2 ILE A 24 -7.661 4.140 -5.634 1.00 63.41 C ATOM 382 CD1 ILE A 24 -7.551 5.429 -2.881 1.00 61.41 C ATOM 0 H ILE A 24 -4.439 3.205 -3.433 1.00 32.23 H new ATOM 0 HA ILE A 24 -6.516 1.784 -4.659 1.00 70.33 H new ATOM 0 HB ILE A 24 -5.749 4.732 -4.890 1.00 0.54 H new ATOM 0 HG12 ILE A 24 -7.670 3.301 -3.009 1.00 52.34 H new ATOM 0 HG13 ILE A 24 -6.087 3.907 -2.565 1.00 52.34 H new ATOM 0 HG21 ILE A 24 -8.119 5.113 -5.457 1.00 63.41 H new ATOM 0 HG22 ILE A 24 -7.309 4.086 -6.664 1.00 63.41 H new ATOM 0 HG23 ILE A 24 -8.398 3.355 -5.461 1.00 63.41 H new ATOM 0 HD11 ILE A 24 -7.849 5.440 -1.833 1.00 61.41 H new ATOM 0 HD12 ILE A 24 -6.818 6.216 -3.058 1.00 61.41 H new ATOM 0 HD13 ILE A 24 -8.425 5.600 -3.509 1.00 61.41 H new ATOM 394 N ASN A 25 -4.218 2.944 -6.725 1.00 42.10 N ATOM 395 CA ASN A 25 -3.658 2.826 -8.079 1.00 74.53 C ATOM 396 C ASN A 25 -3.561 1.356 -8.518 1.00 63.30 C ATOM 397 O ASN A 25 -3.846 1.015 -9.665 1.00 14.34 O ATOM 398 CB ASN A 25 -2.266 3.479 -8.112 1.00 0.21 C ATOM 399 CG ASN A 25 -1.583 3.377 -9.466 1.00 32.25 C ATOM 400 OD1 ASN A 25 -2.226 3.427 -10.507 1.00 51.10 O ATOM 401 ND2 ASN A 25 -0.275 3.211 -9.465 1.00 43.04 N ATOM 0 H ASN A 25 -3.620 3.452 -6.073 1.00 42.10 H new ATOM 0 HA ASN A 25 -4.323 3.337 -8.775 1.00 74.53 H new ATOM 0 HB2 ASN A 25 -2.359 4.530 -7.839 1.00 0.21 H new ATOM 0 HB3 ASN A 25 -1.634 3.009 -7.358 1.00 0.21 H new ATOM 0 HD21 ASN A 25 0.228 3.120 -10.348 1.00 43.04 H new ATOM 0 HD22 ASN A 25 0.234 3.173 -8.582 1.00 43.04 H new ATOM 408 N ASN A 26 -3.163 0.488 -7.592 1.00 1.01 N ATOM 409 CA ASN A 26 -3.014 -0.940 -7.885 1.00 60.55 C ATOM 410 C ASN A 26 -4.324 -1.721 -7.677 1.00 10.21 C ATOM 411 O ASN A 26 -4.379 -2.922 -7.929 1.00 12.23 O ATOM 412 CB ASN A 26 -1.887 -1.532 -7.034 1.00 54.33 C ATOM 413 CG ASN A 26 -0.528 -1.003 -7.453 1.00 71.24 C ATOM 414 OD1 ASN A 26 0.144 -1.586 -8.297 1.00 64.23 O ATOM 415 ND2 ASN A 26 -0.116 0.112 -6.884 1.00 33.21 N ATOM 0 H ASN A 26 -2.937 0.746 -6.631 1.00 1.01 H new ATOM 0 HA ASN A 26 -2.757 -1.035 -8.940 1.00 60.55 H new ATOM 0 HB2 ASN A 26 -2.061 -1.296 -5.984 1.00 54.33 H new ATOM 0 HB3 ASN A 26 -1.897 -2.618 -7.122 1.00 54.33 H new ATOM 0 HD21 ASN A 26 0.785 0.514 -7.143 1.00 33.21 H new ATOM 0 HD22 ASN A 26 -0.698 0.573 -6.185 1.00 33.21 H new ATOM 422 N GLY A 27 -5.376 -1.039 -7.226 1.00 24.10 N ATOM 423 CA GLY A 27 -6.692 -1.673 -7.118 1.00 44.33 C ATOM 424 C GLY A 27 -7.121 -2.037 -5.692 1.00 71.22 C ATOM 425 O GLY A 27 -8.101 -2.762 -5.511 1.00 23.31 O ATOM 0 H GLY A 27 -5.346 -0.062 -6.933 1.00 24.10 H new ATOM 0 HA2 GLY A 27 -7.438 -1.003 -7.546 1.00 44.33 H new ATOM 0 HA3 GLY A 27 -6.693 -2.579 -7.724 1.00 44.33 H new ATOM 429 N MET A 28 -6.403 -1.553 -4.681 1.00 35.31 N ATOM 430 CA MET A 28 -6.802 -1.774 -3.280 1.00 30.10 C ATOM 431 C MET A 28 -7.975 -0.857 -2.890 1.00 30.31 C ATOM 432 O MET A 28 -8.175 0.198 -3.497 1.00 33.34 O ATOM 433 CB MET A 28 -5.614 -1.528 -2.346 1.00 62.03 C ATOM 434 CG MET A 28 -4.423 -2.431 -2.625 1.00 5.40 C ATOM 435 SD MET A 28 -4.814 -4.174 -2.392 1.00 24.31 S ATOM 436 CE MET A 28 -3.221 -4.917 -2.729 1.00 10.34 C ATOM 0 H MET A 28 -5.548 -1.009 -4.797 1.00 35.31 H new ATOM 0 HA MET A 28 -7.127 -2.810 -3.180 1.00 30.10 H new ATOM 0 HB2 MET A 28 -5.300 -0.488 -2.437 1.00 62.03 H new ATOM 0 HB3 MET A 28 -5.937 -1.674 -1.315 1.00 62.03 H new ATOM 0 HG2 MET A 28 -4.081 -2.272 -3.648 1.00 5.40 H new ATOM 0 HG3 MET A 28 -3.599 -2.155 -1.967 1.00 5.40 H new ATOM 0 HE1 MET A 28 -3.282 -5.994 -2.574 1.00 10.34 H new ATOM 0 HE2 MET A 28 -2.936 -4.714 -3.761 1.00 10.34 H new ATOM 0 HE3 MET A 28 -2.473 -4.496 -2.057 1.00 10.34 H new ATOM 572 N GLU A 39 -5.077 -6.590 6.331 1.00 31.43 N ATOM 573 CA GLU A 39 -4.422 -7.772 5.760 1.00 42.10 C ATOM 574 C GLU A 39 -3.139 -7.412 4.991 1.00 10.13 C ATOM 575 O GLU A 39 -2.840 -6.234 4.759 1.00 23.40 O ATOM 576 CB GLU A 39 -5.403 -8.529 4.856 1.00 62.34 C ATOM 577 CG GLU A 39 -6.024 -7.693 3.738 1.00 4.22 C ATOM 578 CD GLU A 39 -7.239 -8.369 3.110 1.00 1.11 C ATOM 579 OE1 GLU A 39 -8.077 -8.914 3.865 1.00 3.04 O ATOM 580 OE2 GLU A 39 -7.362 -8.371 1.867 1.00 20.55 O ATOM 0 HA GLU A 39 -4.124 -8.417 6.587 1.00 42.10 H new ATOM 0 HB2 GLU A 39 -4.883 -9.377 4.410 1.00 62.34 H new ATOM 0 HB3 GLU A 39 -6.204 -8.935 5.474 1.00 62.34 H new ATOM 0 HG2 GLU A 39 -6.318 -6.721 4.135 1.00 4.22 H new ATOM 0 HG3 GLU A 39 -5.275 -7.509 2.967 1.00 4.22 H new ATOM 587 N SER A 40 -2.381 -8.439 4.613 1.00 13.51 N ATOM 588 CA SER A 40 -1.088 -8.258 3.933 1.00 33.23 C ATOM 589 C SER A 40 -1.267 -7.783 2.486 1.00 14.33 C ATOM 590 O SER A 40 -2.234 -8.147 1.816 1.00 53.42 O ATOM 591 CB SER A 40 -0.293 -9.573 3.939 1.00 62.22 C ATOM 592 OG SER A 40 -0.180 -10.106 5.249 1.00 64.20 O ATOM 0 H SER A 40 -2.637 -9.414 4.765 1.00 13.51 H new ATOM 0 HA SER A 40 -0.540 -7.491 4.481 1.00 33.23 H new ATOM 0 HB2 SER A 40 -0.784 -10.299 3.291 1.00 62.22 H new ATOM 0 HB3 SER A 40 0.702 -9.400 3.528 1.00 62.22 H new ATOM 0 HG SER A 40 0.715 -9.920 5.602 1.00 64.20 H new ATOM 598 N ILE A 41 -0.317 -6.984 2.003 1.00 13.40 N ATOM 599 CA ILE A 41 -0.340 -6.479 0.627 1.00 41.32 C ATOM 600 C ILE A 41 -0.531 -7.606 -0.406 1.00 73.04 C ATOM 601 O ILE A 41 -1.421 -7.539 -1.256 1.00 14.11 O ATOM 602 CB ILE A 41 0.976 -5.724 0.339 1.00 55.44 C ATOM 603 CG1 ILE A 41 1.090 -4.510 1.277 1.00 45.12 C ATOM 604 CG2 ILE A 41 1.063 -5.297 -1.126 1.00 64.12 C ATOM 605 CD1 ILE A 41 2.511 -4.085 1.545 1.00 73.44 C ATOM 0 H ILE A 41 0.486 -6.669 2.548 1.00 13.40 H new ATOM 0 HA ILE A 41 -1.192 -5.806 0.533 1.00 41.32 H new ATOM 0 HB ILE A 41 1.813 -6.397 0.527 1.00 55.44 H new ATOM 0 HG12 ILE A 41 0.545 -3.672 0.841 1.00 45.12 H new ATOM 0 HG13 ILE A 41 0.606 -4.747 2.224 1.00 45.12 H new ATOM 0 HG21 ILE A 41 2.001 -4.768 -1.296 1.00 64.12 H new ATOM 0 HG22 ILE A 41 1.023 -6.179 -1.765 1.00 64.12 H new ATOM 0 HG23 ILE A 41 0.227 -4.639 -1.363 1.00 64.12 H new ATOM 0 HD11 ILE A 41 2.513 -3.224 2.214 1.00 73.44 H new ATOM 0 HD12 ILE A 41 3.055 -4.907 2.010 1.00 73.44 H new ATOM 0 HD13 ILE A 41 2.994 -3.816 0.605 1.00 73.44 H new ATOM 617 N GLU A 42 0.305 -8.639 -0.324 1.00 53.43 N ATOM 618 CA GLU A 42 0.226 -9.781 -1.248 1.00 65.43 C ATOM 619 C GLU A 42 -1.114 -10.526 -1.120 1.00 1.41 C ATOM 620 O GLU A 42 -1.651 -11.023 -2.109 1.00 32.20 O ATOM 621 CB GLU A 42 1.385 -10.753 -0.990 1.00 1.30 C ATOM 622 CG GLU A 42 1.367 -11.369 0.405 1.00 50.14 C ATOM 623 CD GLU A 42 2.526 -12.319 0.649 1.00 13.40 C ATOM 624 OE1 GLU A 42 2.401 -13.516 0.320 1.00 24.23 O ATOM 625 OE2 GLU A 42 3.559 -11.880 1.186 1.00 40.11 O ATOM 0 H GLU A 42 1.047 -8.714 0.372 1.00 53.43 H new ATOM 0 HA GLU A 42 0.297 -9.387 -2.262 1.00 65.43 H new ATOM 0 HB2 GLU A 42 1.350 -11.552 -1.731 1.00 1.30 H new ATOM 0 HB3 GLU A 42 2.328 -10.226 -1.133 1.00 1.30 H new ATOM 0 HG2 GLU A 42 1.395 -10.572 1.148 1.00 50.14 H new ATOM 0 HG3 GLU A 42 0.429 -11.905 0.547 1.00 50.14 H new ATOM 632 N ASP A 43 -1.648 -10.591 0.099 1.00 72.10 N ATOM 633 CA ASP A 43 -2.917 -11.279 0.355 1.00 54.03 C ATOM 634 C ASP A 43 -4.077 -10.558 -0.353 1.00 44.11 C ATOM 635 O ASP A 43 -4.838 -11.170 -1.106 1.00 22.23 O ATOM 636 CB ASP A 43 -3.170 -11.360 1.867 1.00 12.22 C ATOM 637 CG ASP A 43 -4.377 -12.214 2.218 1.00 50.31 C ATOM 638 OD1 ASP A 43 -4.233 -13.452 2.309 1.00 0.00 O ATOM 639 OD2 ASP A 43 -5.473 -11.658 2.402 1.00 71.31 O ATOM 0 H ASP A 43 -1.222 -10.175 0.927 1.00 72.10 H new ATOM 0 HA ASP A 43 -2.856 -12.291 -0.045 1.00 54.03 H new ATOM 0 HB2 ASP A 43 -2.287 -11.769 2.357 1.00 12.22 H new ATOM 0 HB3 ASP A 43 -3.316 -10.354 2.261 1.00 12.22 H new ATOM 644 N ALA A 44 -4.191 -9.249 -0.119 1.00 63.22 N ATOM 645 CA ALA A 44 -5.196 -8.420 -0.795 1.00 35.52 C ATOM 646 C ALA A 44 -5.029 -8.484 -2.323 1.00 12.24 C ATOM 647 O ALA A 44 -6.009 -8.523 -3.073 1.00 30.23 O ATOM 648 CB ALA A 44 -5.102 -6.979 -0.307 1.00 72.22 C ATOM 0 H ALA A 44 -3.599 -8.737 0.535 1.00 63.22 H new ATOM 0 HA ALA A 44 -6.183 -8.811 -0.550 1.00 35.52 H new ATOM 0 HB1 ALA A 44 -5.852 -6.373 -0.815 1.00 72.22 H new ATOM 0 HB2 ALA A 44 -5.277 -6.947 0.768 1.00 72.22 H new ATOM 0 HB3 ALA A 44 -4.109 -6.585 -0.525 1.00 72.22 H new ATOM 654 N CYS A 45 -3.774 -8.499 -2.777 1.00 11.30 N ATOM 655 CA CYS A 45 -3.468 -8.660 -4.204 1.00 32.15 C ATOM 656 C CYS A 45 -4.008 -9.992 -4.746 1.00 35.14 C ATOM 657 O CYS A 45 -4.696 -10.022 -5.768 1.00 30.13 O ATOM 658 CB CYS A 45 -1.954 -8.576 -4.448 1.00 42.44 C ATOM 659 SG CYS A 45 -1.244 -6.935 -4.173 1.00 63.34 S ATOM 0 H CYS A 45 -2.953 -8.402 -2.180 1.00 11.30 H new ATOM 0 HA CYS A 45 -3.961 -7.847 -4.737 1.00 32.15 H new ATOM 0 HB2 CYS A 45 -1.453 -9.290 -3.794 1.00 42.44 H new ATOM 0 HB3 CYS A 45 -1.746 -8.882 -5.473 1.00 42.44 H new ATOM 0 HG CYS A 45 -1.121 -6.724 -2.896 1.00 63.34 H new ATOM 665 N ALA A 46 -3.711 -11.083 -4.042 1.00 73.31 N ATOM 666 CA ALA A 46 -4.150 -12.427 -4.445 1.00 34.11 C ATOM 667 C ALA A 46 -5.677 -12.519 -4.600 1.00 21.23 C ATOM 668 O ALA A 46 -6.186 -13.366 -5.339 1.00 62.51 O ATOM 669 CB ALA A 46 -3.657 -13.460 -3.437 1.00 33.12 C ATOM 0 H ALA A 46 -3.163 -11.066 -3.182 1.00 73.31 H new ATOM 0 HA ALA A 46 -3.715 -12.634 -5.423 1.00 34.11 H new ATOM 0 HB1 ALA A 46 -3.987 -14.453 -3.743 1.00 33.12 H new ATOM 0 HB2 ALA A 46 -2.568 -13.436 -3.395 1.00 33.12 H new ATOM 0 HB3 ALA A 46 -4.064 -13.230 -2.452 1.00 33.12 H new ATOM 675 N VAL A 47 -6.401 -11.650 -3.902 1.00 53.33 N ATOM 676 CA VAL A 47 -7.864 -11.598 -4.006 1.00 64.01 C ATOM 677 C VAL A 47 -8.320 -11.170 -5.412 1.00 52.43 C ATOM 678 O VAL A 47 -9.136 -11.839 -6.044 1.00 0.22 O ATOM 679 CB VAL A 47 -8.466 -10.625 -2.964 1.00 4.05 C ATOM 680 CG1 VAL A 47 -9.992 -10.629 -3.030 1.00 65.13 C ATOM 681 CG2 VAL A 47 -7.987 -10.980 -1.562 1.00 43.35 C ATOM 0 H VAL A 47 -6.002 -10.969 -3.256 1.00 53.33 H new ATOM 0 HA VAL A 47 -8.225 -12.608 -3.810 1.00 64.01 H new ATOM 0 HB VAL A 47 -8.122 -9.618 -3.201 1.00 4.05 H new ATOM 0 HG11 VAL A 47 -10.390 -9.937 -2.288 1.00 65.13 H new ATOM 0 HG12 VAL A 47 -10.314 -10.319 -4.024 1.00 65.13 H new ATOM 0 HG13 VAL A 47 -10.362 -11.633 -2.825 1.00 65.13 H new ATOM 0 HG21 VAL A 47 -8.420 -10.285 -0.843 1.00 43.35 H new ATOM 0 HG22 VAL A 47 -8.298 -11.996 -1.318 1.00 43.35 H new ATOM 0 HG23 VAL A 47 -6.900 -10.913 -1.521 1.00 43.35 H new ATOM 691 N HIS A 48 -7.783 -10.048 -5.897 1.00 13.42 N ATOM 692 CA HIS A 48 -8.176 -9.506 -7.207 1.00 62.40 C ATOM 693 C HIS A 48 -7.170 -9.881 -8.313 1.00 63.44 C ATOM 694 O HIS A 48 -7.312 -9.456 -9.461 1.00 2.01 O ATOM 695 CB HIS A 48 -8.302 -7.980 -7.135 1.00 4.12 C ATOM 696 CG HIS A 48 -9.213 -7.481 -6.052 1.00 15.23 C ATOM 697 ND1 HIS A 48 -10.563 -7.744 -6.016 1.00 11.33 N ATOM 698 CD2 HIS A 48 -8.956 -6.722 -4.960 1.00 0.15 C ATOM 699 CE1 HIS A 48 -11.097 -7.166 -4.962 1.00 45.01 C ATOM 700 NE2 HIS A 48 -10.146 -6.540 -4.298 1.00 30.23 N ATOM 0 H HIS A 48 -7.078 -9.497 -5.408 1.00 13.42 H new ATOM 0 HA HIS A 48 -9.140 -9.948 -7.460 1.00 62.40 H new ATOM 0 HB2 HIS A 48 -7.311 -7.553 -6.984 1.00 4.12 H new ATOM 0 HB3 HIS A 48 -8.664 -7.612 -8.095 1.00 4.12 H new ATOM 0 HD2 HIS A 48 -7.993 -6.332 -4.664 1.00 0.15 H new ATOM 0 HE1 HIS A 48 -12.141 -7.199 -4.687 1.00 45.01 H new ATOM 0 HE2 HIS A 48 -10.272 -6.009 -3.436 1.00 30.23 H new ATOM 709 N GLY A 49 -6.160 -10.669 -7.960 1.00 61.23 N ATOM 710 CA GLY A 49 -5.122 -11.038 -8.920 1.00 73.14 C ATOM 711 C GLY A 49 -4.153 -9.892 -9.221 1.00 61.05 C ATOM 712 O GLY A 49 -3.562 -9.829 -10.302 1.00 42.34 O ATOM 0 H GLY A 49 -6.037 -11.062 -7.027 1.00 61.23 H new ATOM 0 HA2 GLY A 49 -4.561 -11.888 -8.532 1.00 73.14 H new ATOM 0 HA3 GLY A 49 -5.592 -11.363 -9.848 1.00 73.14 H new ATOM 716 N ILE A 50 -3.994 -8.981 -8.259 1.00 12.12 N ATOM 717 CA ILE A 50 -3.105 -7.820 -8.412 1.00 13.22 C ATOM 718 C ILE A 50 -1.626 -8.234 -8.327 1.00 41.24 C ATOM 719 O ILE A 50 -1.277 -9.203 -7.645 1.00 40.15 O ATOM 720 CB ILE A 50 -3.381 -6.754 -7.316 1.00 51.21 C ATOM 721 CG1 ILE A 50 -4.878 -6.394 -7.264 1.00 65.21 C ATOM 722 CG2 ILE A 50 -2.535 -5.497 -7.548 1.00 22.02 C ATOM 723 CD1 ILE A 50 -5.245 -5.448 -6.133 1.00 10.42 C ATOM 0 H ILE A 50 -4.471 -9.023 -7.359 1.00 12.12 H new ATOM 0 HA ILE A 50 -3.309 -7.396 -9.395 1.00 13.22 H new ATOM 0 HB ILE A 50 -3.098 -7.183 -6.355 1.00 51.21 H new ATOM 0 HG12 ILE A 50 -5.165 -5.940 -8.212 1.00 65.21 H new ATOM 0 HG13 ILE A 50 -5.459 -7.311 -7.161 1.00 65.21 H new ATOM 0 HG21 ILE A 50 -2.747 -4.767 -6.767 1.00 22.02 H new ATOM 0 HG22 ILE A 50 -1.478 -5.760 -7.521 1.00 22.02 H new ATOM 0 HG23 ILE A 50 -2.778 -5.069 -8.521 1.00 22.02 H new ATOM 0 HD11 ILE A 50 -6.315 -5.242 -6.163 1.00 10.42 H new ATOM 0 HD12 ILE A 50 -4.991 -5.907 -5.178 1.00 10.42 H new ATOM 0 HD13 ILE A 50 -4.693 -4.515 -6.246 1.00 10.42 H new ATOM 735 N ASP A 51 -0.761 -7.494 -9.012 1.00 32.31 N ATOM 736 CA ASP A 51 0.680 -7.732 -8.933 1.00 71.43 C ATOM 737 C ASP A 51 1.270 -6.962 -7.738 1.00 24.34 C ATOM 738 O ASP A 51 1.543 -5.761 -7.823 1.00 15.30 O ATOM 739 CB ASP A 51 1.362 -7.304 -10.239 1.00 32.43 C ATOM 740 CG ASP A 51 2.784 -7.838 -10.364 1.00 42.04 C ATOM 741 OD1 ASP A 51 3.646 -7.465 -9.540 1.00 41.50 O ATOM 742 OD2 ASP A 51 3.046 -8.623 -11.299 1.00 72.33 O ATOM 0 H ASP A 51 -1.029 -6.726 -9.627 1.00 32.31 H new ATOM 0 HA ASP A 51 0.858 -8.797 -8.787 1.00 71.43 H new ATOM 0 HB2 ASP A 51 0.771 -7.656 -11.085 1.00 32.43 H new ATOM 0 HB3 ASP A 51 1.381 -6.216 -10.294 1.00 32.43 H new ATOM 747 N ALA A 52 1.439 -7.658 -6.619 1.00 72.10 N ATOM 748 CA ALA A 52 1.929 -7.033 -5.388 1.00 73.41 C ATOM 749 C ALA A 52 3.361 -6.516 -5.527 1.00 53.10 C ATOM 750 O ALA A 52 3.723 -5.521 -4.905 1.00 52.35 O ATOM 751 CB ALA A 52 1.836 -8.015 -4.224 1.00 71.52 C ATOM 0 H ALA A 52 1.245 -8.656 -6.535 1.00 72.10 H new ATOM 0 HA ALA A 52 1.292 -6.171 -5.190 1.00 73.41 H new ATOM 0 HB1 ALA A 52 2.203 -7.538 -3.315 1.00 71.52 H new ATOM 0 HB2 ALA A 52 0.797 -8.314 -4.082 1.00 71.52 H new ATOM 0 HB3 ALA A 52 2.441 -8.895 -4.441 1.00 71.52 H new ATOM 757 N ASP A 53 4.169 -7.176 -6.346 1.00 61.44 N ATOM 758 CA ASP A 53 5.570 -6.792 -6.505 1.00 75.42 C ATOM 759 C ASP A 53 5.687 -5.379 -7.107 1.00 20.14 C ATOM 760 O ASP A 53 6.524 -4.582 -6.681 1.00 61.23 O ATOM 761 CB ASP A 53 6.307 -7.821 -7.369 1.00 64.20 C ATOM 762 CG ASP A 53 7.783 -7.902 -7.030 1.00 51.32 C ATOM 763 OD1 ASP A 53 8.110 -8.370 -5.919 1.00 33.25 O ATOM 764 OD2 ASP A 53 8.625 -7.509 -7.865 1.00 35.23 O ATOM 0 H ASP A 53 3.883 -7.977 -6.909 1.00 61.44 H new ATOM 0 HA ASP A 53 6.038 -6.772 -5.521 1.00 75.42 H new ATOM 0 HB2 ASP A 53 5.850 -8.801 -7.232 1.00 64.20 H new ATOM 0 HB3 ASP A 53 6.191 -7.559 -8.421 1.00 64.20 H new ATOM 769 N LYS A 54 4.826 -5.069 -8.084 1.00 43.45 N ATOM 770 CA LYS A 54 4.758 -3.715 -8.657 1.00 72.32 C ATOM 771 C LYS A 54 4.349 -2.694 -7.587 1.00 62.33 C ATOM 772 O LYS A 54 4.970 -1.638 -7.445 1.00 32.14 O ATOM 773 CB LYS A 54 3.750 -3.658 -9.815 1.00 63.11 C ATOM 774 CG LYS A 54 4.115 -4.521 -11.017 1.00 3.01 C ATOM 775 CD LYS A 54 3.048 -4.430 -12.108 1.00 5.33 C ATOM 776 CE LYS A 54 3.368 -5.319 -13.305 1.00 12.33 C ATOM 777 NZ LYS A 54 4.646 -4.935 -13.962 1.00 30.02 N ATOM 0 H LYS A 54 4.169 -5.732 -8.494 1.00 43.45 H new ATOM 0 HA LYS A 54 5.751 -3.469 -9.034 1.00 72.32 H new ATOM 0 HB2 LYS A 54 2.773 -3.969 -9.445 1.00 63.11 H new ATOM 0 HB3 LYS A 54 3.652 -2.623 -10.144 1.00 63.11 H new ATOM 0 HG2 LYS A 54 5.077 -4.202 -11.418 1.00 3.01 H new ATOM 0 HG3 LYS A 54 4.229 -5.558 -10.702 1.00 3.01 H new ATOM 0 HD2 LYS A 54 2.082 -4.717 -11.693 1.00 5.33 H new ATOM 0 HD3 LYS A 54 2.958 -3.396 -12.440 1.00 5.33 H new ATOM 0 HE2 LYS A 54 3.426 -6.358 -12.979 1.00 12.33 H new ATOM 0 HE3 LYS A 54 2.556 -5.257 -14.029 1.00 12.33 H new ATOM 0 HZ1 LYS A 54 4.749 -5.460 -14.854 1.00 30.02 H new ATOM 0 HZ2 LYS A 54 4.642 -3.914 -14.160 1.00 30.02 H new ATOM 0 HZ3 LYS A 54 5.442 -5.162 -13.332 1.00 30.02 H new ATOM 791 N LEU A 55 3.302 -3.030 -6.835 1.00 52.34 N ATOM 792 CA LEU A 55 2.795 -2.164 -5.763 1.00 51.24 C ATOM 793 C LEU A 55 3.886 -1.871 -4.720 1.00 42.23 C ATOM 794 O LEU A 55 4.109 -0.721 -4.341 1.00 11.44 O ATOM 795 CB LEU A 55 1.577 -2.827 -5.102 1.00 53.03 C ATOM 796 CG LEU A 55 1.077 -2.186 -3.793 1.00 42.35 C ATOM 797 CD1 LEU A 55 0.801 -0.693 -3.976 1.00 24.51 C ATOM 798 CD2 LEU A 55 -0.177 -2.900 -3.299 1.00 32.11 C ATOM 0 H LEU A 55 2.783 -3.901 -6.947 1.00 52.34 H new ATOM 0 HA LEU A 55 2.494 -1.211 -6.197 1.00 51.24 H new ATOM 0 HB2 LEU A 55 0.756 -2.826 -5.819 1.00 53.03 H new ATOM 0 HB3 LEU A 55 1.823 -3.870 -4.900 1.00 53.03 H new ATOM 0 HG LEU A 55 1.863 -2.293 -3.045 1.00 42.35 H new ATOM 0 HD11 LEU A 55 0.450 -0.270 -3.035 1.00 24.51 H new ATOM 0 HD12 LEU A 55 1.718 -0.188 -4.281 1.00 24.51 H new ATOM 0 HD13 LEU A 55 0.039 -0.555 -4.743 1.00 24.51 H new ATOM 0 HD21 LEU A 55 -0.519 -2.436 -2.374 1.00 32.11 H new ATOM 0 HD22 LEU A 55 -0.960 -2.824 -4.054 1.00 32.11 H new ATOM 0 HD23 LEU A 55 0.050 -3.950 -3.116 1.00 32.11 H new ATOM 810 N VAL A 56 4.562 -2.919 -4.269 1.00 52.23 N ATOM 811 CA VAL A 56 5.655 -2.782 -3.299 1.00 13.41 C ATOM 812 C VAL A 56 6.759 -1.842 -3.813 1.00 33.42 C ATOM 813 O VAL A 56 7.269 -1.006 -3.063 1.00 23.44 O ATOM 814 CB VAL A 56 6.254 -4.165 -2.950 1.00 41.41 C ATOM 815 CG1 VAL A 56 7.466 -4.029 -2.032 1.00 53.22 C ATOM 816 CG2 VAL A 56 5.189 -5.044 -2.304 1.00 54.42 C ATOM 0 H VAL A 56 4.376 -3.880 -4.557 1.00 52.23 H new ATOM 0 HA VAL A 56 5.232 -2.341 -2.396 1.00 13.41 H new ATOM 0 HB VAL A 56 6.591 -4.635 -3.874 1.00 41.41 H new ATOM 0 HG11 VAL A 56 7.864 -5.018 -1.805 1.00 53.22 H new ATOM 0 HG12 VAL A 56 8.233 -3.434 -2.528 1.00 53.22 H new ATOM 0 HG13 VAL A 56 7.168 -3.537 -1.106 1.00 53.22 H new ATOM 0 HG21 VAL A 56 5.618 -6.016 -2.061 1.00 54.42 H new ATOM 0 HG22 VAL A 56 4.829 -4.568 -1.392 1.00 54.42 H new ATOM 0 HG23 VAL A 56 4.358 -5.177 -2.997 1.00 54.42 H new ATOM 826 N LYS A 57 7.119 -1.973 -5.091 1.00 61.24 N ATOM 827 CA LYS A 57 8.086 -1.056 -5.712 1.00 10.40 C ATOM 828 C LYS A 57 7.616 0.402 -5.584 1.00 12.31 C ATOM 829 O LYS A 57 8.347 1.261 -5.083 1.00 21.10 O ATOM 830 CB LYS A 57 8.290 -1.407 -7.194 1.00 52.50 C ATOM 831 CG LYS A 57 8.885 -2.793 -7.427 1.00 22.41 C ATOM 832 CD LYS A 57 8.932 -3.141 -8.912 1.00 20.11 C ATOM 833 CE LYS A 57 9.478 -4.545 -9.152 1.00 73.21 C ATOM 834 NZ LYS A 57 10.870 -4.693 -8.654 1.00 24.43 N ATOM 0 H LYS A 57 6.761 -2.697 -5.714 1.00 61.24 H new ATOM 0 HA LYS A 57 9.035 -1.166 -5.188 1.00 10.40 H new ATOM 0 HB2 LYS A 57 7.330 -1.344 -7.707 1.00 52.50 H new ATOM 0 HB3 LYS A 57 8.944 -0.661 -7.647 1.00 52.50 H new ATOM 0 HG2 LYS A 57 9.892 -2.832 -7.011 1.00 22.41 H new ATOM 0 HG3 LYS A 57 8.292 -3.538 -6.897 1.00 22.41 H new ATOM 0 HD2 LYS A 57 7.930 -3.064 -9.334 1.00 20.11 H new ATOM 0 HD3 LYS A 57 9.555 -2.415 -9.435 1.00 20.11 H new ATOM 0 HE2 LYS A 57 8.836 -5.273 -8.656 1.00 73.21 H new ATOM 0 HE3 LYS A 57 9.449 -4.768 -10.219 1.00 73.21 H new ATOM 0 HZ1 LYS A 57 11.262 -5.598 -8.984 1.00 24.43 H new ATOM 0 HZ2 LYS A 57 11.453 -3.911 -9.015 1.00 24.43 H new ATOM 0 HZ3 LYS A 57 10.871 -4.674 -7.614 1.00 24.43 H new ATOM 848 N GLU A 58 6.381 0.661 -6.020 1.00 22.21 N ATOM 849 CA GLU A 58 5.777 1.997 -5.926 1.00 35.24 C ATOM 850 C GLU A 58 5.797 2.529 -4.479 1.00 34.12 C ATOM 851 O GLU A 58 6.069 3.709 -4.242 1.00 54.44 O ATOM 852 CB GLU A 58 4.333 1.963 -6.460 1.00 34.44 C ATOM 853 CG GLU A 58 4.221 1.585 -7.940 1.00 22.43 C ATOM 854 CD GLU A 58 2.793 1.643 -8.478 1.00 4.13 C ATOM 855 OE1 GLU A 58 1.867 1.977 -7.709 1.00 14.32 O ATOM 856 OE2 GLU A 58 2.591 1.368 -9.681 1.00 3.43 O ATOM 0 H GLU A 58 5.774 -0.040 -6.445 1.00 22.21 H new ATOM 0 HA GLU A 58 6.372 2.676 -6.537 1.00 35.24 H new ATOM 0 HB2 GLU A 58 3.756 1.251 -5.870 1.00 34.44 H new ATOM 0 HB3 GLU A 58 3.879 2.943 -6.311 1.00 34.44 H new ATOM 0 HG2 GLU A 58 4.849 2.256 -8.526 1.00 22.43 H new ATOM 0 HG3 GLU A 58 4.613 0.578 -8.080 1.00 22.43 H new ATOM 863 N LEU A 59 5.521 1.647 -3.515 1.00 73.45 N ATOM 864 CA LEU A 59 5.533 2.015 -2.093 1.00 62.40 C ATOM 865 C LEU A 59 6.937 2.435 -1.614 1.00 43.32 C ATOM 866 O LEU A 59 7.115 3.533 -1.081 1.00 3.11 O ATOM 867 CB LEU A 59 5.013 0.843 -1.249 1.00 3.11 C ATOM 868 CG LEU A 59 3.542 0.462 -1.492 1.00 20.21 C ATOM 869 CD1 LEU A 59 3.183 -0.822 -0.749 1.00 13.22 C ATOM 870 CD2 LEU A 59 2.613 1.606 -1.084 1.00 15.44 C ATOM 0 H LEU A 59 5.286 0.670 -3.692 1.00 73.45 H new ATOM 0 HA LEU A 59 4.878 2.877 -1.968 1.00 62.40 H new ATOM 0 HB2 LEU A 59 5.635 -0.030 -1.446 1.00 3.11 H new ATOM 0 HB3 LEU A 59 5.138 1.092 -0.195 1.00 3.11 H new ATOM 0 HG LEU A 59 3.410 0.281 -2.559 1.00 20.21 H new ATOM 0 HD11 LEU A 59 2.138 -1.071 -0.936 1.00 13.22 H new ATOM 0 HD12 LEU A 59 3.818 -1.635 -1.100 1.00 13.22 H new ATOM 0 HD13 LEU A 59 3.336 -0.678 0.321 1.00 13.22 H new ATOM 0 HD21 LEU A 59 1.578 1.316 -1.264 1.00 15.44 H new ATOM 0 HD22 LEU A 59 2.750 1.826 -0.025 1.00 15.44 H new ATOM 0 HD23 LEU A 59 2.849 2.493 -1.672 1.00 15.44 H new ATOM 882 N ASN A 60 7.931 1.565 -1.806 1.00 52.31 N ATOM 883 CA ASN A 60 9.312 1.867 -1.395 1.00 33.20 C ATOM 884 C ASN A 60 9.813 3.180 -2.018 1.00 44.35 C ATOM 885 O ASN A 60 10.303 4.065 -1.313 1.00 1.21 O ATOM 886 CB ASN A 60 10.263 0.725 -1.771 1.00 61.42 C ATOM 887 CG ASN A 60 10.104 -0.488 -0.872 1.00 3.31 C ATOM 888 OD1 ASN A 60 10.696 -0.563 0.199 1.00 41.50 O ATOM 889 ND2 ASN A 60 9.318 -1.453 -1.301 1.00 21.24 N ATOM 0 H ASN A 60 7.811 0.650 -2.240 1.00 52.31 H new ATOM 0 HA ASN A 60 9.302 1.979 -0.311 1.00 33.20 H new ATOM 0 HB2 ASN A 60 10.082 0.432 -2.805 1.00 61.42 H new ATOM 0 HB3 ASN A 60 11.292 1.081 -1.716 1.00 61.42 H new ATOM 0 HD21 ASN A 60 9.188 -2.293 -0.737 1.00 21.24 H new ATOM 0 HD22 ASN A 60 8.839 -1.360 -2.197 1.00 21.24 H new ATOM 896 N GLU A 61 9.675 3.301 -3.340 1.00 4.52 N ATOM 897 CA GLU A 61 10.118 4.502 -4.055 1.00 34.00 C ATOM 898 C GLU A 61 9.402 5.763 -3.545 1.00 54.42 C ATOM 899 O GLU A 61 9.942 6.869 -3.618 1.00 3.31 O ATOM 900 CB GLU A 61 9.901 4.338 -5.566 1.00 0.44 C ATOM 901 CG GLU A 61 10.689 3.179 -6.170 1.00 21.21 C ATOM 902 CD GLU A 61 10.661 3.170 -7.690 1.00 0.11 C ATOM 903 OE1 GLU A 61 11.453 3.916 -8.303 1.00 3.44 O ATOM 904 OE2 GLU A 61 9.865 2.409 -8.283 1.00 3.23 O ATOM 0 H GLU A 61 9.261 2.585 -3.937 1.00 4.52 H new ATOM 0 HA GLU A 61 11.184 4.626 -3.862 1.00 34.00 H new ATOM 0 HB2 GLU A 61 8.839 4.185 -5.758 1.00 0.44 H new ATOM 0 HB3 GLU A 61 10.186 5.262 -6.069 1.00 0.44 H new ATOM 0 HG2 GLU A 61 11.724 3.235 -5.831 1.00 21.21 H new ATOM 0 HG3 GLU A 61 10.283 2.238 -5.799 1.00 21.21 H new ATOM 911 N TYR A 62 8.184 5.592 -3.032 1.00 35.22 N ATOM 912 CA TYR A 62 7.437 6.700 -2.425 1.00 70.22 C ATOM 913 C TYR A 62 8.073 7.142 -1.100 1.00 23.12 C ATOM 914 O TYR A 62 8.259 8.337 -0.861 1.00 42.31 O ATOM 915 CB TYR A 62 5.977 6.310 -2.187 1.00 35.32 C ATOM 916 CG TYR A 62 5.183 7.377 -1.450 1.00 74.45 C ATOM 917 CD1 TYR A 62 4.759 8.530 -2.101 1.00 13.41 C ATOM 918 CD2 TYR A 62 4.875 7.237 -0.100 1.00 14.04 C ATOM 919 CE1 TYR A 62 4.051 9.507 -1.431 1.00 73.35 C ATOM 920 CE2 TYR A 62 4.169 8.214 0.575 1.00 31.30 C ATOM 921 CZ TYR A 62 3.759 9.345 -0.094 1.00 21.13 C ATOM 922 OH TYR A 62 3.061 10.323 0.581 1.00 11.22 O ATOM 0 H TYR A 62 7.692 4.699 -3.023 1.00 35.22 H new ATOM 0 HA TYR A 62 7.473 7.535 -3.125 1.00 70.22 H new ATOM 0 HB2 TYR A 62 5.500 6.110 -3.147 1.00 35.32 H new ATOM 0 HB3 TYR A 62 5.944 5.383 -1.615 1.00 35.32 H new ATOM 0 HD1 TYR A 62 4.987 8.663 -3.148 1.00 13.41 H new ATOM 0 HD2 TYR A 62 5.193 6.350 0.428 1.00 14.04 H new ATOM 0 HE1 TYR A 62 3.727 10.395 -1.953 1.00 73.35 H new ATOM 0 HE2 TYR A 62 3.940 8.091 1.623 1.00 31.30 H new ATOM 0 HH TYR A 62 2.938 10.052 1.515 1.00 11.22 H new ATOM 932 N PHE A 63 8.398 6.182 -0.236 1.00 54.20 N ATOM 933 CA PHE A 63 9.067 6.492 1.032 1.00 34.15 C ATOM 934 C PHE A 63 10.397 7.223 0.795 1.00 15.24 C ATOM 935 O PHE A 63 10.795 8.079 1.586 1.00 61.33 O ATOM 936 CB PHE A 63 9.270 5.218 1.866 1.00 31.41 C ATOM 937 CG PHE A 63 8.019 4.788 2.600 1.00 32.35 C ATOM 938 CD1 PHE A 63 7.727 5.311 3.853 1.00 3.34 C ATOM 939 CD2 PHE A 63 7.137 3.874 2.041 1.00 12.41 C ATOM 940 CE1 PHE A 63 6.582 4.933 4.534 1.00 22.31 C ATOM 941 CE2 PHE A 63 5.990 3.492 2.718 1.00 35.42 C ATOM 942 CZ PHE A 63 5.713 4.024 3.965 1.00 3.04 C ATOM 0 H PHE A 63 8.212 5.190 -0.386 1.00 54.20 H new ATOM 0 HA PHE A 63 8.422 7.164 1.598 1.00 34.15 H new ATOM 0 HB2 PHE A 63 9.597 4.410 1.212 1.00 31.41 H new ATOM 0 HB3 PHE A 63 10.069 5.386 2.588 1.00 31.41 H new ATOM 0 HD1 PHE A 63 8.403 6.023 4.303 1.00 3.34 H new ATOM 0 HD2 PHE A 63 7.347 3.456 1.068 1.00 12.41 H new ATOM 0 HE1 PHE A 63 6.369 5.348 5.508 1.00 22.31 H new ATOM 0 HE2 PHE A 63 5.312 2.779 2.272 1.00 35.42 H new ATOM 0 HZ PHE A 63 4.818 3.728 4.492 1.00 3.04 H new