USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 510 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 NoAdj : A 12 ASNHD21 : A 12 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 12 ASNHD22 : A 12 ASN OD1 : A 101 CACA :(metal ligand) USER MOD Set 1.1: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 GLN : amide:sc= -2.41 K(o=-2.4,f=-3.9!) USER MOD Single : A 1 MET CE :methyl -142:sc= 0 (180deg=-0.0689) USER MOD Single : A 1 MET N :NH3+ -130:sc= -0.813 (180deg=-2.29!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0985 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= -0.0385 (180deg=-0.128) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -0.078 (180deg=-0.332) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0389) USER MOD Single : A 34 ASN : amide:sc= -0.377 K(o=-0.38,f=-3.8!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.00015) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -7.22! C(o=-7.2!,f=-16!) USER MOD Single : A 56 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.0078) USER MOD Single : A 60 LYS NZ :NH3+ -165:sc= -0.0204 (180deg=-0.184) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.525 4.185 -1.886 1.00 21.02 N ATOM 2 CA MET A 1 -0.607 3.735 -2.926 1.00 5.10 C ATOM 3 C MET A 1 0.824 3.677 -2.402 1.00 72.51 C ATOM 4 O MET A 1 1.541 2.703 -2.633 1.00 12.01 O ATOM 5 CB MET A 1 -0.682 4.663 -4.139 1.00 15.50 C ATOM 6 CG MET A 1 -2.098 4.900 -4.639 1.00 11.32 C ATOM 7 SD MET A 1 -2.805 3.444 -5.433 1.00 65.35 S ATOM 8 CE MET A 1 -1.990 3.497 -7.026 1.00 4.14 C ATOM 0 H1 MET A 1 -2.332 3.531 -1.829 1.00 21.02 H new ATOM 0 H2 MET A 1 -1.030 4.206 -0.971 1.00 21.02 H new ATOM 0 H3 MET A 1 -1.868 5.140 -2.115 1.00 21.02 H new ATOM 0 HA MET A 1 -0.904 2.731 -3.228 1.00 5.10 H new ATOM 0 HB2 MET A 1 -0.232 5.622 -3.881 1.00 15.50 H new ATOM 0 HB3 MET A 1 -0.087 4.239 -4.948 1.00 15.50 H new ATOM 0 HG2 MET A 1 -2.730 5.196 -3.802 1.00 11.32 H new ATOM 0 HG3 MET A 1 -2.096 5.730 -5.346 1.00 11.32 H new ATOM 0 HE1 MET A 1 -2.690 3.191 -7.803 1.00 4.14 H new ATOM 0 HE2 MET A 1 -1.647 4.512 -7.226 1.00 4.14 H new ATOM 0 HE3 MET A 1 -1.136 2.820 -7.020 1.00 4.14 H new ATOM 18 N ALA A 2 1.233 4.725 -1.696 1.00 14.04 N ATOM 19 CA ALA A 2 2.578 4.793 -1.137 1.00 1.33 C ATOM 20 C ALA A 2 2.593 5.590 0.163 1.00 3.20 C ATOM 21 O ALA A 2 2.690 5.018 1.249 1.00 53.43 O ATOM 22 CB ALA A 2 3.538 5.407 -2.146 1.00 1.52 C ATOM 0 H ALA A 2 0.652 5.540 -1.497 1.00 14.04 H new ATOM 0 HA ALA A 2 2.904 3.777 -0.913 1.00 1.33 H new ATOM 0 HB1 ALA A 2 4.538 5.452 -1.716 1.00 1.52 H new ATOM 0 HB2 ALA A 2 3.558 4.795 -3.048 1.00 1.52 H new ATOM 0 HB3 ALA A 2 3.206 6.414 -2.398 1.00 1.52 H new ATOM 28 N GLU A 3 2.498 6.909 0.044 1.00 55.34 N ATOM 29 CA GLU A 3 2.502 7.783 1.211 1.00 72.51 C ATOM 30 C GLU A 3 1.078 8.101 1.659 1.00 22.43 C ATOM 31 O GLU A 3 0.846 8.468 2.810 1.00 61.32 O ATOM 32 CB GLU A 3 3.252 9.081 0.903 1.00 11.31 C ATOM 33 CG GLU A 3 2.660 9.865 -0.256 1.00 43.21 C ATOM 34 CD GLU A 3 3.344 9.561 -1.575 1.00 51.34 C ATOM 35 OE1 GLU A 3 4.476 10.044 -1.782 1.00 15.43 O ATOM 36 OE2 GLU A 3 2.746 8.840 -2.402 1.00 32.32 O ATOM 0 H GLU A 3 2.417 7.397 -0.848 1.00 55.34 H new ATOM 0 HA GLU A 3 3.012 7.260 2.021 1.00 72.51 H new ATOM 0 HB2 GLU A 3 3.253 9.710 1.793 1.00 11.31 H new ATOM 0 HB3 GLU A 3 4.292 8.845 0.678 1.00 11.31 H new ATOM 0 HG2 GLU A 3 1.598 9.635 -0.340 1.00 43.21 H new ATOM 0 HG3 GLU A 3 2.740 10.932 -0.047 1.00 43.21 H new ATOM 43 N ALA A 4 0.130 7.956 0.740 1.00 40.02 N ATOM 44 CA ALA A 4 -1.272 8.226 1.039 1.00 4.01 C ATOM 45 C ALA A 4 -1.729 7.450 2.270 1.00 44.22 C ATOM 46 O ALA A 4 -2.668 7.853 2.958 1.00 50.23 O ATOM 47 CB ALA A 4 -2.143 7.881 -0.159 1.00 43.24 C ATOM 0 H ALA A 4 0.306 7.653 -0.218 1.00 40.02 H new ATOM 0 HA ALA A 4 -1.375 9.290 1.253 1.00 4.01 H new ATOM 0 HB1 ALA A 4 -3.187 8.087 0.078 1.00 43.24 H new ATOM 0 HB2 ALA A 4 -1.840 8.484 -1.015 1.00 43.24 H new ATOM 0 HB3 ALA A 4 -2.028 6.824 -0.400 1.00 43.24 H new ATOM 53 N LEU A 5 -1.062 6.333 2.540 1.00 14.10 N ATOM 54 CA LEU A 5 -1.401 5.499 3.688 1.00 52.31 C ATOM 55 C LEU A 5 -1.200 6.262 4.994 1.00 63.53 C ATOM 56 O LEU A 5 -1.990 6.131 5.929 1.00 44.40 O ATOM 57 CB LEU A 5 -0.549 4.228 3.690 1.00 14.55 C ATOM 58 CG LEU A 5 -0.260 3.612 2.320 1.00 34.43 C ATOM 59 CD1 LEU A 5 0.456 2.279 2.475 1.00 55.23 C ATOM 60 CD2 LEU A 5 -1.549 3.439 1.531 1.00 21.10 C ATOM 0 H LEU A 5 -0.284 5.984 1.980 1.00 14.10 H new ATOM 0 HA LEU A 5 -2.453 5.224 3.608 1.00 52.31 H new ATOM 0 HB2 LEU A 5 0.402 4.453 4.173 1.00 14.55 H new ATOM 0 HB3 LEU A 5 -1.050 3.480 4.304 1.00 14.55 H new ATOM 0 HG LEU A 5 0.392 4.289 1.768 1.00 34.43 H new ATOM 0 HD11 LEU A 5 0.653 1.855 1.490 1.00 55.23 H new ATOM 0 HD12 LEU A 5 1.399 2.431 3.000 1.00 55.23 H new ATOM 0 HD13 LEU A 5 -0.171 1.594 3.046 1.00 55.23 H new ATOM 0 HD21 LEU A 5 -1.324 3.000 0.559 1.00 21.10 H new ATOM 0 HD22 LEU A 5 -2.225 2.783 2.078 1.00 21.10 H new ATOM 0 HD23 LEU A 5 -2.022 4.411 1.389 1.00 21.10 H new ATOM 72 N PHE A 6 -0.139 7.060 5.050 1.00 23.43 N ATOM 73 CA PHE A 6 0.165 7.844 6.241 1.00 14.23 C ATOM 74 C PHE A 6 -0.948 8.849 6.529 1.00 1.23 C ATOM 75 O PHE A 6 -1.416 8.965 7.661 1.00 61.21 O ATOM 76 CB PHE A 6 1.497 8.577 6.068 1.00 73.14 C ATOM 77 CG PHE A 6 1.665 9.743 7.000 1.00 32.41 C ATOM 78 CD1 PHE A 6 1.098 10.972 6.705 1.00 43.34 C ATOM 79 CD2 PHE A 6 2.392 9.609 8.172 1.00 13.04 C ATOM 80 CE1 PHE A 6 1.250 12.046 7.561 1.00 13.33 C ATOM 81 CE2 PHE A 6 2.548 10.680 9.032 1.00 71.34 C ATOM 82 CZ PHE A 6 1.977 11.900 8.725 1.00 24.34 C ATOM 0 H PHE A 6 0.524 7.181 4.285 1.00 23.43 H new ATOM 0 HA PHE A 6 0.241 7.160 7.087 1.00 14.23 H new ATOM 0 HB2 PHE A 6 2.314 7.873 6.229 1.00 73.14 H new ATOM 0 HB3 PHE A 6 1.578 8.929 5.040 1.00 73.14 H new ATOM 0 HD1 PHE A 6 0.530 11.092 5.794 1.00 43.34 H new ATOM 0 HD2 PHE A 6 2.841 8.658 8.416 1.00 13.04 H new ATOM 0 HE1 PHE A 6 0.801 12.998 7.320 1.00 13.33 H new ATOM 0 HE2 PHE A 6 3.116 10.563 9.943 1.00 71.34 H new ATOM 0 HZ PHE A 6 2.099 12.738 9.395 1.00 24.34 H new ATOM 92 N LYS A 7 -1.365 9.573 5.496 1.00 2.34 N ATOM 93 CA LYS A 7 -2.422 10.567 5.636 1.00 45.24 C ATOM 94 C LYS A 7 -3.784 9.896 5.780 1.00 62.02 C ATOM 95 O LYS A 7 -4.702 10.457 6.378 1.00 0.50 O ATOM 96 CB LYS A 7 -2.430 11.506 4.427 1.00 3.23 C ATOM 97 CG LYS A 7 -1.163 12.333 4.291 1.00 42.02 C ATOM 98 CD LYS A 7 -1.277 13.344 3.162 1.00 35.13 C ATOM 99 CE LYS A 7 -1.054 14.763 3.661 1.00 14.44 C ATOM 100 NZ LYS A 7 -2.337 15.496 3.843 1.00 65.11 N ATOM 0 H LYS A 7 -0.987 9.490 4.552 1.00 2.34 H new ATOM 0 HA LYS A 7 -2.225 11.146 6.538 1.00 45.24 H new ATOM 0 HB2 LYS A 7 -2.568 10.917 3.521 1.00 3.23 H new ATOM 0 HB3 LYS A 7 -3.285 12.177 4.504 1.00 3.23 H new ATOM 0 HG2 LYS A 7 -0.964 12.853 5.228 1.00 42.02 H new ATOM 0 HG3 LYS A 7 -0.315 11.674 4.106 1.00 42.02 H new ATOM 0 HD2 LYS A 7 -0.546 13.110 2.388 1.00 35.13 H new ATOM 0 HD3 LYS A 7 -2.263 13.269 2.703 1.00 35.13 H new ATOM 0 HE2 LYS A 7 -0.515 14.734 4.608 1.00 14.44 H new ATOM 0 HE3 LYS A 7 -0.425 15.302 2.953 1.00 14.44 H new ATOM 0 HZ1 LYS A 7 -2.141 16.459 4.184 1.00 65.11 H new ATOM 0 HZ2 LYS A 7 -2.840 15.546 2.934 1.00 65.11 H new ATOM 0 HZ3 LYS A 7 -2.927 14.996 4.538 1.00 65.11 H new ATOM 114 N GLU A 8 -3.908 8.692 5.230 1.00 15.51 N ATOM 115 CA GLU A 8 -5.158 7.946 5.299 1.00 22.53 C ATOM 116 C GLU A 8 -5.464 7.529 6.735 1.00 21.35 C ATOM 117 O GLU A 8 -6.602 7.631 7.193 1.00 24.11 O ATOM 118 CB GLU A 8 -5.090 6.709 4.401 1.00 51.23 C ATOM 119 CG GLU A 8 -6.418 5.984 4.262 1.00 74.13 C ATOM 120 CD GLU A 8 -6.771 5.685 2.818 1.00 60.20 C ATOM 121 OE1 GLU A 8 -6.188 4.739 2.248 1.00 21.12 O ATOM 122 OE2 GLU A 8 -7.632 6.397 2.258 1.00 4.25 O ATOM 0 H GLU A 8 -3.158 8.213 4.732 1.00 15.51 H new ATOM 0 HA GLU A 8 -5.959 8.597 4.949 1.00 22.53 H new ATOM 0 HB2 GLU A 8 -4.743 7.007 3.412 1.00 51.23 H new ATOM 0 HB3 GLU A 8 -4.349 6.018 4.804 1.00 51.23 H new ATOM 0 HG2 GLU A 8 -6.378 5.050 4.823 1.00 74.13 H new ATOM 0 HG3 GLU A 8 -7.207 6.590 4.707 1.00 74.13 H new ATOM 129 N ILE A 9 -4.439 7.058 7.439 1.00 51.13 N ATOM 130 CA ILE A 9 -4.598 6.626 8.822 1.00 11.21 C ATOM 131 C ILE A 9 -4.889 7.810 9.737 1.00 33.54 C ATOM 132 O ILE A 9 -5.464 7.648 10.814 1.00 35.42 O ATOM 133 CB ILE A 9 -3.341 5.895 9.332 1.00 45.33 C ATOM 134 CG1 ILE A 9 -3.115 4.610 8.534 1.00 4.41 C ATOM 135 CG2 ILE A 9 -3.472 5.588 10.815 1.00 32.42 C ATOM 136 CD1 ILE A 9 -4.204 3.578 8.727 1.00 23.11 C ATOM 0 H ILE A 9 -3.491 6.966 7.074 1.00 51.13 H new ATOM 0 HA ILE A 9 -5.442 5.937 8.842 1.00 11.21 H new ATOM 0 HB ILE A 9 -2.477 6.545 9.191 1.00 45.33 H new ATOM 0 HG12 ILE A 9 -3.044 4.858 7.475 1.00 4.41 H new ATOM 0 HG13 ILE A 9 -2.158 4.175 8.824 1.00 4.41 H new ATOM 0 HG21 ILE A 9 -2.576 5.072 11.160 1.00 32.42 H new ATOM 0 HG22 ILE A 9 -3.591 6.519 11.370 1.00 32.42 H new ATOM 0 HG23 ILE A 9 -4.343 4.953 10.980 1.00 32.42 H new ATOM 0 HD11 ILE A 9 -3.977 2.694 8.131 1.00 23.11 H new ATOM 0 HD12 ILE A 9 -4.261 3.301 9.780 1.00 23.11 H new ATOM 0 HD13 ILE A 9 -5.160 3.994 8.409 1.00 23.11 H new ATOM 148 N ASP A 10 -4.490 9.000 9.302 1.00 60.55 N ATOM 149 CA ASP A 10 -4.711 10.213 10.081 1.00 61.34 C ATOM 150 C ASP A 10 -6.153 10.694 9.941 1.00 14.31 C ATOM 151 O ASP A 10 -6.429 11.663 9.234 1.00 14.24 O ATOM 152 CB ASP A 10 -3.748 11.314 9.635 1.00 4.03 C ATOM 153 CG ASP A 10 -2.322 11.050 10.078 1.00 31.32 C ATOM 154 OD1 ASP A 10 -1.901 9.874 10.054 1.00 3.02 O ATOM 155 OD2 ASP A 10 -1.627 12.019 10.450 1.00 45.22 O ATOM 0 H ASP A 10 -4.012 9.151 8.414 1.00 60.55 H new ATOM 0 HA ASP A 10 -4.524 9.981 11.129 1.00 61.34 H new ATOM 0 HB2 ASP A 10 -3.778 11.401 8.549 1.00 4.03 H new ATOM 0 HB3 ASP A 10 -4.080 12.270 10.040 1.00 4.03 H new ATOM 160 N VAL A 11 -7.068 10.010 10.620 1.00 64.20 N ATOM 161 CA VAL A 11 -8.481 10.367 10.571 1.00 10.02 C ATOM 162 C VAL A 11 -8.705 11.791 11.066 1.00 44.21 C ATOM 163 O VAL A 11 -9.731 12.405 10.778 1.00 50.34 O ATOM 164 CB VAL A 11 -9.333 9.401 11.416 1.00 15.10 C ATOM 165 CG1 VAL A 11 -10.814 9.662 11.193 1.00 61.44 C ATOM 166 CG2 VAL A 11 -8.982 7.958 11.092 1.00 3.40 C ATOM 0 H VAL A 11 -6.856 9.206 11.210 1.00 64.20 H new ATOM 0 HA VAL A 11 -8.790 10.295 9.528 1.00 10.02 H new ATOM 0 HB VAL A 11 -9.113 9.576 12.469 1.00 15.10 H new ATOM 0 HG11 VAL A 11 -11.400 8.970 11.798 1.00 61.44 H new ATOM 0 HG12 VAL A 11 -11.050 10.686 11.481 1.00 61.44 H new ATOM 0 HG13 VAL A 11 -11.055 9.517 10.140 1.00 61.44 H new ATOM 0 HG21 VAL A 11 -9.594 7.290 11.698 1.00 3.40 H new ATOM 0 HG22 VAL A 11 -9.172 7.766 10.036 1.00 3.40 H new ATOM 0 HG23 VAL A 11 -7.928 7.782 11.309 1.00 3.40 H new ATOM 176 N ASN A 12 -7.736 12.311 11.812 1.00 73.31 N ATOM 177 CA ASN A 12 -7.828 13.665 12.348 1.00 13.35 C ATOM 178 C ASN A 12 -7.391 14.692 11.308 1.00 0.12 C ATOM 179 O ASN A 12 -7.416 15.896 11.560 1.00 12.12 O ATOM 180 CB ASN A 12 -6.966 13.798 13.605 1.00 30.03 C ATOM 181 CG ASN A 12 -5.609 13.138 13.449 1.00 4.23 C ATOM 182 OD1 ASN A 12 -5.110 12.976 12.334 1.00 72.42 O ATOM 183 ND2 ASN A 12 -5.006 12.753 14.567 1.00 1.23 N ATOM 0 H ASN A 12 -6.879 11.816 12.059 1.00 73.31 H new ATOM 0 HA ASN A 12 -8.869 13.856 12.607 1.00 13.35 H new ATOM 0 HB2 ASN A 12 -6.829 14.854 13.838 1.00 30.03 H new ATOM 0 HB3 ASN A 12 -7.489 13.351 14.450 1.00 30.03 H new ATOM 0 HD21 ASN A 12 -4.092 12.303 14.524 1.00 1.23 H new ATOM 0 HD22 ASN A 12 -5.457 12.907 15.469 1.00 1.23 H new ATOM 190 N GLY A 13 -6.991 14.208 10.136 1.00 24.52 N ATOM 191 CA GLY A 13 -6.556 15.096 9.075 1.00 33.02 C ATOM 192 C GLY A 13 -5.541 16.115 9.553 1.00 30.13 C ATOM 193 O GLY A 13 -5.626 17.295 9.210 1.00 62.44 O ATOM 0 H GLY A 13 -6.961 13.215 9.903 1.00 24.52 H new ATOM 0 HA2 GLY A 13 -6.122 14.507 8.267 1.00 33.02 H new ATOM 0 HA3 GLY A 13 -7.421 15.615 8.662 1.00 33.02 H new ATOM 197 N ASP A 14 -4.578 15.662 10.348 1.00 65.04 N ATOM 198 CA ASP A 14 -3.542 16.542 10.874 1.00 55.45 C ATOM 199 C ASP A 14 -2.249 16.398 10.077 1.00 71.02 C ATOM 200 O ASP A 14 -1.364 17.249 10.152 1.00 11.22 O ATOM 201 CB ASP A 14 -3.284 16.236 12.350 1.00 15.55 C ATOM 202 CG ASP A 14 -2.984 14.770 12.592 1.00 13.12 C ATOM 203 OD1 ASP A 14 -2.806 14.030 11.603 1.00 22.13 O ATOM 204 OD2 ASP A 14 -2.927 14.363 13.772 1.00 31.30 O ATOM 0 H ASP A 14 -4.494 14.689 10.642 1.00 65.04 H new ATOM 0 HA ASP A 14 -3.892 17.570 10.780 1.00 55.45 H new ATOM 0 HB2 ASP A 14 -2.447 16.838 12.702 1.00 15.55 H new ATOM 0 HB3 ASP A 14 -4.155 16.527 12.936 1.00 15.55 H new ATOM 209 N GLY A 15 -2.148 15.314 9.315 1.00 13.13 N ATOM 210 CA GLY A 15 -0.959 15.077 8.516 1.00 34.51 C ATOM 211 C GLY A 15 0.255 14.754 9.365 1.00 62.54 C ATOM 212 O GLY A 15 1.388 14.838 8.895 1.00 14.24 O ATOM 0 H GLY A 15 -2.868 14.595 9.236 1.00 13.13 H new ATOM 0 HA2 GLY A 15 -1.146 14.253 7.827 1.00 34.51 H new ATOM 0 HA3 GLY A 15 -0.751 15.959 7.910 1.00 34.51 H new ATOM 216 N ALA A 16 0.016 14.384 10.619 1.00 54.01 N ATOM 217 CA ALA A 16 1.098 14.047 11.534 1.00 32.23 C ATOM 218 C ALA A 16 0.797 12.756 12.290 1.00 72.12 C ATOM 219 O ALA A 16 -0.335 12.523 12.713 1.00 73.41 O ATOM 220 CB ALA A 16 1.338 15.188 12.512 1.00 50.30 C ATOM 0 H ALA A 16 -0.917 14.310 11.024 1.00 54.01 H new ATOM 0 HA ALA A 16 2.002 13.891 10.945 1.00 32.23 H new ATOM 0 HB1 ALA A 16 2.149 14.922 13.190 1.00 50.30 H new ATOM 0 HB2 ALA A 16 1.606 16.089 11.961 1.00 50.30 H new ATOM 0 HB3 ALA A 16 0.430 15.371 13.087 1.00 50.30 H new ATOM 226 N VAL A 17 1.818 11.920 12.455 1.00 52.13 N ATOM 227 CA VAL A 17 1.661 10.654 13.159 1.00 32.24 C ATOM 228 C VAL A 17 2.652 10.542 14.313 1.00 62.52 C ATOM 229 O VAL A 17 3.860 10.447 14.102 1.00 55.22 O ATOM 230 CB VAL A 17 1.858 9.457 12.211 1.00 5.45 C ATOM 231 CG1 VAL A 17 2.009 8.166 13.003 1.00 41.23 C ATOM 232 CG2 VAL A 17 0.698 9.358 11.231 1.00 23.44 C ATOM 0 H VAL A 17 2.762 12.097 12.111 1.00 52.13 H new ATOM 0 HA VAL A 17 0.645 10.633 13.552 1.00 32.24 H new ATOM 0 HB VAL A 17 2.774 9.614 11.641 1.00 5.45 H new ATOM 0 HG11 VAL A 17 2.147 7.331 12.316 1.00 41.23 H new ATOM 0 HG12 VAL A 17 2.875 8.242 13.661 1.00 41.23 H new ATOM 0 HG13 VAL A 17 1.113 7.999 13.601 1.00 41.23 H new ATOM 0 HG21 VAL A 17 0.853 8.507 10.568 1.00 23.44 H new ATOM 0 HG22 VAL A 17 -0.233 9.224 11.782 1.00 23.44 H new ATOM 0 HG23 VAL A 17 0.642 10.272 10.640 1.00 23.44 H new ATOM 242 N SER A 18 2.129 10.551 15.536 1.00 1.31 N ATOM 243 CA SER A 18 2.967 10.453 16.726 1.00 13.24 C ATOM 244 C SER A 18 3.249 8.995 17.074 1.00 52.11 C ATOM 245 O SER A 18 2.729 8.081 16.434 1.00 4.15 O ATOM 246 CB SER A 18 2.294 11.152 17.908 1.00 32.34 C ATOM 247 OG SER A 18 0.940 11.453 17.619 1.00 70.12 O ATOM 0 H SER A 18 1.130 10.625 15.728 1.00 1.31 H new ATOM 0 HA SER A 18 3.916 10.946 16.514 1.00 13.24 H new ATOM 0 HB2 SER A 18 2.348 10.514 18.790 1.00 32.34 H new ATOM 0 HB3 SER A 18 2.831 12.070 18.145 1.00 32.34 H new ATOM 0 HG SER A 18 0.532 11.898 18.391 1.00 70.12 H new ATOM 253 N TYR A 19 4.074 8.786 18.093 1.00 22.21 N ATOM 254 CA TYR A 19 4.427 7.438 18.527 1.00 50.04 C ATOM 255 C TYR A 19 3.180 6.573 18.686 1.00 34.04 C ATOM 256 O TYR A 19 3.144 5.430 18.235 1.00 4.14 O ATOM 257 CB TYR A 19 5.198 7.491 19.847 1.00 65.33 C ATOM 258 CG TYR A 19 4.433 8.158 20.969 1.00 4.43 C ATOM 259 CD1 TYR A 19 4.402 9.542 21.088 1.00 4.23 C ATOM 260 CD2 TYR A 19 3.741 7.404 21.908 1.00 21.33 C ATOM 261 CE1 TYR A 19 3.706 10.156 22.111 1.00 5.34 C ATOM 262 CE2 TYR A 19 3.041 8.009 22.934 1.00 40.11 C ATOM 263 CZ TYR A 19 3.027 9.385 23.031 1.00 62.41 C ATOM 264 OH TYR A 19 2.331 9.993 24.051 1.00 70.44 O ATOM 0 H TYR A 19 4.511 9.532 18.634 1.00 22.21 H new ATOM 0 HA TYR A 19 5.061 6.991 17.762 1.00 50.04 H new ATOM 0 HB2 TYR A 19 5.457 6.476 20.148 1.00 65.33 H new ATOM 0 HB3 TYR A 19 6.135 8.025 19.690 1.00 65.33 H new ATOM 0 HD1 TYR A 19 4.931 10.148 20.368 1.00 4.23 H new ATOM 0 HD2 TYR A 19 3.750 6.327 21.835 1.00 21.33 H new ATOM 0 HE1 TYR A 19 3.694 11.233 22.190 1.00 5.34 H new ATOM 0 HE2 TYR A 19 2.508 7.408 23.656 1.00 40.11 H new ATOM 0 HH TYR A 19 1.908 9.309 24.611 1.00 70.44 H new ATOM 274 N GLU A 20 2.160 7.131 19.332 1.00 4.25 N ATOM 275 CA GLU A 20 0.912 6.409 19.551 1.00 74.31 C ATOM 276 C GLU A 20 0.263 6.028 18.224 1.00 60.31 C ATOM 277 O GLU A 20 -0.139 4.882 18.025 1.00 51.34 O ATOM 278 CB GLU A 20 -0.055 7.260 20.379 1.00 53.31 C ATOM 279 CG GLU A 20 0.087 7.058 21.878 1.00 70.24 C ATOM 280 CD GLU A 20 -1.216 6.645 22.535 1.00 35.44 C ATOM 281 OE1 GLU A 20 -2.148 7.474 22.577 1.00 63.41 O ATOM 282 OE2 GLU A 20 -1.301 5.493 23.010 1.00 71.25 O ATOM 0 H GLU A 20 2.173 8.078 19.712 1.00 4.25 H new ATOM 0 HA GLU A 20 1.142 5.495 20.098 1.00 74.31 H new ATOM 0 HB2 GLU A 20 0.109 8.312 20.146 1.00 53.31 H new ATOM 0 HB3 GLU A 20 -1.077 7.024 20.084 1.00 53.31 H new ATOM 0 HG2 GLU A 20 0.843 6.297 22.069 1.00 70.24 H new ATOM 0 HG3 GLU A 20 0.443 7.982 22.334 1.00 70.24 H new ATOM 289 N GLU A 21 0.164 6.998 17.319 1.00 31.33 N ATOM 290 CA GLU A 21 -0.437 6.764 16.012 1.00 31.33 C ATOM 291 C GLU A 21 0.275 5.629 15.281 1.00 32.12 C ATOM 292 O GLU A 21 -0.358 4.817 14.606 1.00 22.14 O ATOM 293 CB GLU A 21 -0.387 8.039 15.168 1.00 54.14 C ATOM 294 CG GLU A 21 -1.614 8.921 15.324 1.00 34.33 C ATOM 295 CD GLU A 21 -2.216 9.325 13.993 1.00 64.21 C ATOM 296 OE1 GLU A 21 -1.458 9.792 13.117 1.00 1.51 O ATOM 297 OE2 GLU A 21 -3.444 9.174 13.826 1.00 75.22 O ATOM 0 H GLU A 21 0.492 7.952 17.468 1.00 31.33 H new ATOM 0 HA GLU A 21 -1.478 6.478 16.165 1.00 31.33 H new ATOM 0 HB2 GLU A 21 0.499 8.612 15.442 1.00 54.14 H new ATOM 0 HB3 GLU A 21 -0.277 7.766 14.118 1.00 54.14 H new ATOM 0 HG2 GLU A 21 -2.364 8.392 15.912 1.00 34.33 H new ATOM 0 HG3 GLU A 21 -1.344 9.817 15.883 1.00 34.33 H new ATOM 304 N VAL A 22 1.596 5.579 15.421 1.00 14.20 N ATOM 305 CA VAL A 22 2.395 4.545 14.775 1.00 23.41 C ATOM 306 C VAL A 22 2.033 3.162 15.304 1.00 21.32 C ATOM 307 O VAL A 22 1.695 2.260 14.537 1.00 33.30 O ATOM 308 CB VAL A 22 3.901 4.786 14.987 1.00 2.40 C ATOM 309 CG1 VAL A 22 4.704 3.577 14.531 1.00 1.30 C ATOM 310 CG2 VAL A 22 4.348 6.040 14.251 1.00 74.32 C ATOM 0 H VAL A 22 2.135 6.243 15.976 1.00 14.20 H new ATOM 0 HA VAL A 22 2.174 4.593 13.709 1.00 23.41 H new ATOM 0 HB VAL A 22 4.082 4.933 16.052 1.00 2.40 H new ATOM 0 HG11 VAL A 22 5.766 3.765 14.688 1.00 1.30 H new ATOM 0 HG12 VAL A 22 4.402 2.702 15.106 1.00 1.30 H new ATOM 0 HG13 VAL A 22 4.520 3.397 13.472 1.00 1.30 H new ATOM 0 HG21 VAL A 22 5.415 6.195 14.412 1.00 74.32 H new ATOM 0 HG22 VAL A 22 4.155 5.924 13.185 1.00 74.32 H new ATOM 0 HG23 VAL A 22 3.795 6.900 14.629 1.00 74.32 H new ATOM 320 N LYS A 23 2.106 3.000 16.622 1.00 43.42 N ATOM 321 CA LYS A 23 1.786 1.727 17.255 1.00 74.31 C ATOM 322 C LYS A 23 0.377 1.274 16.884 1.00 11.30 C ATOM 323 O LYS A 23 0.122 0.082 16.719 1.00 3.30 O ATOM 324 CB LYS A 23 1.910 1.845 18.776 1.00 75.11 C ATOM 325 CG LYS A 23 3.347 1.853 19.270 1.00 61.25 C ATOM 326 CD LYS A 23 3.524 0.957 20.485 1.00 54.24 C ATOM 327 CE LYS A 23 4.175 -0.365 20.112 1.00 25.23 C ATOM 328 NZ LYS A 23 3.166 -1.392 19.729 1.00 12.51 N ATOM 0 H LYS A 23 2.384 3.736 17.272 1.00 43.42 H new ATOM 0 HA LYS A 23 2.496 0.982 16.895 1.00 74.31 H new ATOM 0 HB2 LYS A 23 1.417 2.761 19.102 1.00 75.11 H new ATOM 0 HB3 LYS A 23 1.379 1.014 19.241 1.00 75.11 H new ATOM 0 HG2 LYS A 23 4.009 1.519 18.471 1.00 61.25 H new ATOM 0 HG3 LYS A 23 3.640 2.872 19.522 1.00 61.25 H new ATOM 0 HD2 LYS A 23 4.135 1.468 21.229 1.00 54.24 H new ATOM 0 HD3 LYS A 23 2.554 0.769 20.944 1.00 54.24 H new ATOM 0 HE2 LYS A 23 4.866 -0.208 19.284 1.00 25.23 H new ATOM 0 HE3 LYS A 23 4.763 -0.730 20.954 1.00 25.23 H new ATOM 0 HZ1 LYS A 23 3.652 -2.245 19.385 1.00 12.51 H new ATOM 0 HZ2 LYS A 23 2.586 -1.635 20.557 1.00 12.51 H new ATOM 0 HZ3 LYS A 23 2.555 -1.015 18.977 1.00 12.51 H new ATOM 342 N ALA A 24 -0.534 2.234 16.754 1.00 10.12 N ATOM 343 CA ALA A 24 -1.915 1.934 16.399 1.00 30.31 C ATOM 344 C ALA A 24 -2.016 1.434 14.962 1.00 21.11 C ATOM 345 O ALA A 24 -2.731 0.473 14.677 1.00 22.12 O ATOM 346 CB ALA A 24 -2.790 3.163 16.595 1.00 12.22 C ATOM 0 H ALA A 24 -0.339 3.226 16.889 1.00 10.12 H new ATOM 0 HA ALA A 24 -2.269 1.141 17.058 1.00 30.31 H new ATOM 0 HB1 ALA A 24 -3.819 2.924 16.326 1.00 12.22 H new ATOM 0 HB2 ALA A 24 -2.751 3.475 17.639 1.00 12.22 H new ATOM 0 HB3 ALA A 24 -2.428 3.972 15.961 1.00 12.22 H new ATOM 352 N PHE A 25 -1.296 2.092 14.060 1.00 12.42 N ATOM 353 CA PHE A 25 -1.305 1.715 12.651 1.00 61.54 C ATOM 354 C PHE A 25 -1.017 0.226 12.484 1.00 73.22 C ATOM 355 O PHE A 25 -1.766 -0.493 11.823 1.00 63.54 O ATOM 356 CB PHE A 25 -0.275 2.536 11.874 1.00 1.54 C ATOM 357 CG PHE A 25 -0.437 2.446 10.384 1.00 12.53 C ATOM 358 CD1 PHE A 25 -1.491 1.737 9.829 1.00 2.33 C ATOM 359 CD2 PHE A 25 0.464 3.071 9.537 1.00 13.51 C ATOM 360 CE1 PHE A 25 -1.641 1.652 8.458 1.00 13.52 C ATOM 361 CE2 PHE A 25 0.318 2.990 8.164 1.00 21.44 C ATOM 362 CZ PHE A 25 -0.736 2.280 7.625 1.00 72.15 C ATOM 0 H PHE A 25 -0.699 2.889 14.279 1.00 12.42 H new ATOM 0 HA PHE A 25 -2.298 1.922 12.252 1.00 61.54 H new ATOM 0 HB2 PHE A 25 -0.351 3.580 12.177 1.00 1.54 H new ATOM 0 HB3 PHE A 25 0.726 2.198 12.144 1.00 1.54 H new ATOM 0 HD1 PHE A 25 -2.203 1.246 10.475 1.00 2.33 H new ATOM 0 HD2 PHE A 25 1.290 3.628 9.954 1.00 13.51 H new ATOM 0 HE1 PHE A 25 -2.465 1.095 8.038 1.00 13.52 H new ATOM 0 HE2 PHE A 25 1.027 3.481 7.515 1.00 21.44 H new ATOM 0 HZ PHE A 25 -0.853 2.216 6.553 1.00 72.15 H new ATOM 372 N VAL A 26 0.075 -0.230 13.088 1.00 33.11 N ATOM 373 CA VAL A 26 0.464 -1.633 13.007 1.00 34.12 C ATOM 374 C VAL A 26 -0.501 -2.516 13.792 1.00 13.54 C ATOM 375 O VAL A 26 -0.703 -3.683 13.455 1.00 51.34 O ATOM 376 CB VAL A 26 1.893 -1.851 13.541 1.00 41.23 C ATOM 377 CG1 VAL A 26 1.862 -2.195 15.022 1.00 33.32 C ATOM 378 CG2 VAL A 26 2.597 -2.941 12.747 1.00 60.24 C ATOM 0 H VAL A 26 0.706 0.352 13.639 1.00 33.11 H new ATOM 0 HA VAL A 26 0.432 -1.911 11.954 1.00 34.12 H new ATOM 0 HB VAL A 26 2.454 -0.924 13.419 1.00 41.23 H new ATOM 0 HG11 VAL A 26 2.880 -2.346 15.382 1.00 33.32 H new ATOM 0 HG12 VAL A 26 1.398 -1.378 15.576 1.00 33.32 H new ATOM 0 HG13 VAL A 26 1.286 -3.108 15.171 1.00 33.32 H new ATOM 0 HG21 VAL A 26 3.605 -3.082 13.137 1.00 60.24 H new ATOM 0 HG22 VAL A 26 2.040 -3.873 12.836 1.00 60.24 H new ATOM 0 HG23 VAL A 26 2.652 -2.649 11.698 1.00 60.24 H new ATOM 388 N SER A 27 -1.092 -1.952 14.839 1.00 22.21 N ATOM 389 CA SER A 27 -2.034 -2.689 15.674 1.00 1.21 C ATOM 390 C SER A 27 -3.250 -3.127 14.864 1.00 71.53 C ATOM 391 O SER A 27 -3.939 -4.083 15.222 1.00 34.04 O ATOM 392 CB SER A 27 -2.477 -1.830 16.859 1.00 35.35 C ATOM 393 OG SER A 27 -2.000 -2.364 18.082 1.00 35.54 O ATOM 0 H SER A 27 -0.936 -0.987 15.130 1.00 22.21 H new ATOM 0 HA SER A 27 -1.530 -3.580 16.049 1.00 1.21 H new ATOM 0 HB2 SER A 27 -2.106 -0.813 16.734 1.00 35.35 H new ATOM 0 HB3 SER A 27 -3.565 -1.772 16.884 1.00 35.35 H new ATOM 0 HG SER A 27 -2.295 -1.796 18.824 1.00 35.54 H new ATOM 399 N LYS A 28 -3.510 -2.419 13.770 1.00 71.33 N ATOM 400 CA LYS A 28 -4.643 -2.732 12.907 1.00 24.54 C ATOM 401 C LYS A 28 -4.377 -3.999 12.100 1.00 63.15 C ATOM 402 O LYS A 28 -5.259 -4.500 11.402 1.00 61.24 O ATOM 403 CB LYS A 28 -4.930 -1.563 11.962 1.00 21.12 C ATOM 404 CG LYS A 28 -5.802 -0.484 12.579 1.00 41.15 C ATOM 405 CD LYS A 28 -5.919 0.727 11.667 1.00 1.12 C ATOM 406 CE LYS A 28 -6.707 1.848 12.326 1.00 11.04 C ATOM 407 NZ LYS A 28 -8.056 2.010 11.718 1.00 41.51 N ATOM 0 H LYS A 28 -2.951 -1.624 13.460 1.00 71.33 H new ATOM 0 HA LYS A 28 -5.514 -2.901 13.540 1.00 24.54 H new ATOM 0 HB2 LYS A 28 -3.985 -1.120 11.648 1.00 21.12 H new ATOM 0 HB3 LYS A 28 -5.417 -1.943 11.064 1.00 21.12 H new ATOM 0 HG2 LYS A 28 -6.795 -0.887 12.779 1.00 41.15 H new ATOM 0 HG3 LYS A 28 -5.382 -0.180 13.538 1.00 41.15 H new ATOM 0 HD2 LYS A 28 -4.923 1.085 11.407 1.00 1.12 H new ATOM 0 HD3 LYS A 28 -6.406 0.437 10.736 1.00 1.12 H new ATOM 0 HE2 LYS A 28 -6.811 1.641 13.391 1.00 11.04 H new ATOM 0 HE3 LYS A 28 -6.153 2.783 12.236 1.00 11.04 H new ATOM 0 HZ1 LYS A 28 -8.561 2.784 12.195 1.00 41.51 H new ATOM 0 HZ2 LYS A 28 -7.957 2.233 10.707 1.00 41.51 H new ATOM 0 HZ3 LYS A 28 -8.594 1.127 11.827 1.00 41.51 H new ATOM 421 N LYS A 29 -3.157 -4.515 12.200 1.00 13.11 N ATOM 422 CA LYS A 29 -2.775 -5.724 11.482 1.00 61.43 C ATOM 423 C LYS A 29 -2.612 -6.899 12.442 1.00 15.24 C ATOM 424 O LYS A 29 -2.750 -8.057 12.050 1.00 1.10 O ATOM 425 CB LYS A 29 -1.473 -5.495 10.712 1.00 4.30 C ATOM 426 CG LYS A 29 -1.402 -4.143 10.025 1.00 50.25 C ATOM 427 CD LYS A 29 -2.609 -3.908 9.132 1.00 13.40 C ATOM 428 CE LYS A 29 -2.701 -4.954 8.031 1.00 34.14 C ATOM 429 NZ LYS A 29 -1.424 -5.077 7.275 1.00 33.24 N ATOM 0 H LYS A 29 -2.415 -4.113 12.773 1.00 13.11 H new ATOM 0 HA LYS A 29 -3.570 -5.963 10.775 1.00 61.43 H new ATOM 0 HB2 LYS A 29 -0.633 -5.588 11.400 1.00 4.30 H new ATOM 0 HB3 LYS A 29 -1.361 -6.280 9.964 1.00 4.30 H new ATOM 0 HG2 LYS A 29 -1.345 -3.355 10.776 1.00 50.25 H new ATOM 0 HG3 LYS A 29 -0.491 -4.083 9.430 1.00 50.25 H new ATOM 0 HD2 LYS A 29 -3.518 -3.931 9.734 1.00 13.40 H new ATOM 0 HD3 LYS A 29 -2.546 -2.915 8.687 1.00 13.40 H new ATOM 0 HE2 LYS A 29 -2.959 -5.919 8.467 1.00 34.14 H new ATOM 0 HE3 LYS A 29 -3.505 -4.689 7.345 1.00 34.14 H new ATOM 0 HZ1 LYS A 29 -1.586 -5.627 6.407 1.00 33.24 H new ATOM 0 HZ2 LYS A 29 -1.076 -4.129 7.025 1.00 33.24 H new ATOM 0 HZ3 LYS A 29 -0.717 -5.561 7.864 1.00 33.24 H new ATOM 443 N ARG A 30 -2.316 -6.590 13.701 1.00 43.31 N ATOM 444 CA ARG A 30 -2.134 -7.620 14.716 1.00 12.14 C ATOM 445 C ARG A 30 -1.898 -6.996 16.088 1.00 74.25 C ATOM 446 O ARG A 30 -2.005 -5.781 16.255 1.00 50.30 O ATOM 447 CB ARG A 30 -0.957 -8.527 14.348 1.00 32.25 C ATOM 448 CG ARG A 30 0.330 -7.769 14.065 1.00 53.02 C ATOM 449 CD ARG A 30 0.997 -8.261 12.790 1.00 22.22 C ATOM 450 NE ARG A 30 1.065 -9.719 12.736 1.00 31.14 N ATOM 451 CZ ARG A 30 1.238 -10.406 11.613 1.00 0.30 C ATOM 452 NH1 ARG A 30 1.360 -9.770 10.455 1.00 73.13 N ATOM 453 NH2 ARG A 30 1.290 -11.731 11.644 1.00 25.22 N ATOM 0 H ARG A 30 -2.197 -5.636 14.041 1.00 43.31 H new ATOM 0 HA ARG A 30 -3.045 -8.217 14.759 1.00 12.14 H new ATOM 0 HB2 ARG A 30 -0.783 -9.231 15.162 1.00 32.25 H new ATOM 0 HB3 ARG A 30 -1.223 -9.115 13.470 1.00 32.25 H new ATOM 0 HG2 ARG A 30 0.115 -6.704 13.977 1.00 53.02 H new ATOM 0 HG3 ARG A 30 1.015 -7.887 14.904 1.00 53.02 H new ATOM 0 HD2 ARG A 30 0.445 -7.892 11.926 1.00 22.22 H new ATOM 0 HD3 ARG A 30 2.004 -7.848 12.725 1.00 22.22 H new ATOM 0 HE ARG A 30 0.975 -10.238 13.609 1.00 31.14 H new ATOM 0 HH11 ARG A 30 1.321 -8.751 10.426 1.00 73.13 H new ATOM 0 HH12 ARG A 30 1.493 -10.300 9.594 1.00 73.13 H new ATOM 0 HH21 ARG A 30 1.197 -12.224 12.532 1.00 25.22 H new ATOM 0 HH22 ARG A 30 1.423 -12.257 10.780 1.00 25.22 H new ATOM 467 N ALA A 31 -1.579 -7.834 17.068 1.00 3.15 N ATOM 468 CA ALA A 31 -1.327 -7.364 18.425 1.00 51.32 C ATOM 469 C ALA A 31 0.125 -7.601 18.828 1.00 62.23 C ATOM 470 O ALA A 31 0.481 -8.687 19.285 1.00 11.44 O ATOM 471 CB ALA A 31 -2.267 -8.051 19.404 1.00 51.14 C ATOM 0 H ALA A 31 -1.489 -8.843 16.948 1.00 3.15 H new ATOM 0 HA ALA A 31 -1.513 -6.290 18.452 1.00 51.32 H new ATOM 0 HB1 ALA A 31 -2.068 -7.691 20.413 1.00 51.14 H new ATOM 0 HB2 ALA A 31 -3.299 -7.827 19.136 1.00 51.14 H new ATOM 0 HB3 ALA A 31 -2.108 -9.129 19.366 1.00 51.14 H new ATOM 477 N ILE A 32 0.957 -6.580 18.654 1.00 74.43 N ATOM 478 CA ILE A 32 2.370 -6.678 19.000 1.00 62.43 C ATOM 479 C ILE A 32 2.826 -5.461 19.796 1.00 61.21 C ATOM 480 O ILE A 32 3.061 -4.390 19.235 1.00 4.24 O ATOM 481 CB ILE A 32 3.248 -6.815 17.744 1.00 4.44 C ATOM 482 CG1 ILE A 32 2.852 -5.770 16.700 1.00 74.31 C ATOM 483 CG2 ILE A 32 3.131 -8.219 17.167 1.00 10.53 C ATOM 484 CD1 ILE A 32 4.034 -5.071 16.066 1.00 0.13 C ATOM 0 H ILE A 32 0.677 -5.675 18.275 1.00 74.43 H new ATOM 0 HA ILE A 32 2.484 -7.573 19.612 1.00 62.43 H new ATOM 0 HB ILE A 32 4.287 -6.643 18.025 1.00 4.44 H new ATOM 0 HG12 ILE A 32 2.264 -6.253 15.919 1.00 74.31 H new ATOM 0 HG13 ILE A 32 2.209 -5.025 17.169 1.00 74.31 H new ATOM 0 HG21 ILE A 32 3.758 -8.301 16.279 1.00 10.53 H new ATOM 0 HG22 ILE A 32 3.458 -8.946 17.910 1.00 10.53 H new ATOM 0 HG23 ILE A 32 2.093 -8.417 16.898 1.00 10.53 H new ATOM 0 HD11 ILE A 32 3.678 -4.344 15.336 1.00 0.13 H new ATOM 0 HD12 ILE A 32 4.610 -4.559 16.837 1.00 0.13 H new ATOM 0 HD13 ILE A 32 4.667 -5.806 15.568 1.00 0.13 H new ATOM 496 N LYS A 33 2.951 -5.631 21.108 1.00 41.20 N ATOM 497 CA LYS A 33 3.384 -4.548 21.984 1.00 41.05 C ATOM 498 C LYS A 33 4.904 -4.434 21.998 1.00 3.13 C ATOM 499 O LYS A 33 5.591 -5.251 22.611 1.00 73.31 O ATOM 500 CB LYS A 33 2.865 -4.775 23.405 1.00 61.50 C ATOM 501 CG LYS A 33 3.204 -6.145 23.965 1.00 0.04 C ATOM 502 CD LYS A 33 1.958 -6.885 24.423 1.00 54.32 C ATOM 503 CE LYS A 33 1.703 -6.679 25.908 1.00 73.42 C ATOM 504 NZ LYS A 33 2.644 -7.470 26.748 1.00 12.12 N ATOM 0 H LYS A 33 2.758 -6.510 21.589 1.00 41.20 H new ATOM 0 HA LYS A 33 2.972 -3.616 21.598 1.00 41.05 H new ATOM 0 HB2 LYS A 33 3.281 -4.011 24.061 1.00 61.50 H new ATOM 0 HB3 LYS A 33 1.783 -4.647 23.412 1.00 61.50 H new ATOM 0 HG2 LYS A 33 3.718 -6.733 23.205 1.00 0.04 H new ATOM 0 HG3 LYS A 33 3.892 -6.036 24.803 1.00 0.04 H new ATOM 0 HD2 LYS A 33 1.097 -6.537 23.853 1.00 54.32 H new ATOM 0 HD3 LYS A 33 2.069 -7.949 24.216 1.00 54.32 H new ATOM 0 HE2 LYS A 33 1.802 -5.621 26.150 1.00 73.42 H new ATOM 0 HE3 LYS A 33 0.678 -6.965 26.143 1.00 73.42 H new ATOM 0 HZ1 LYS A 33 2.325 -7.452 27.738 1.00 12.12 H new ATOM 0 HZ2 LYS A 33 2.669 -8.453 26.410 1.00 12.12 H new ATOM 0 HZ3 LYS A 33 3.597 -7.058 26.684 1.00 12.12 H new ATOM 518 N ASN A 34 5.424 -3.416 21.319 1.00 22.44 N ATOM 519 CA ASN A 34 6.864 -3.197 21.256 1.00 14.34 C ATOM 520 C ASN A 34 7.225 -1.806 21.769 1.00 31.45 C ATOM 521 O ASN A 34 7.068 -0.812 21.062 1.00 11.52 O ATOM 522 CB ASN A 34 7.365 -3.368 19.821 1.00 11.11 C ATOM 523 CG ASN A 34 7.213 -4.792 19.322 1.00 15.31 C ATOM 524 OD1 ASN A 34 6.163 -5.411 19.487 1.00 74.44 O ATOM 525 ND2 ASN A 34 8.266 -5.318 18.707 1.00 23.04 N ATOM 0 H ASN A 34 4.870 -2.731 20.805 1.00 22.44 H new ATOM 0 HA ASN A 34 7.347 -3.938 21.893 1.00 14.34 H new ATOM 0 HB2 ASN A 34 6.814 -2.695 19.164 1.00 11.11 H new ATOM 0 HB3 ASN A 34 8.414 -3.077 19.768 1.00 11.11 H new ATOM 0 HD21 ASN A 34 8.224 -6.272 18.349 1.00 23.04 H new ATOM 0 HD22 ASN A 34 9.117 -4.768 18.592 1.00 23.04 H new ATOM 532 N GLU A 35 7.710 -1.745 23.006 1.00 60.30 N ATOM 533 CA GLU A 35 8.092 -0.476 23.615 1.00 15.23 C ATOM 534 C GLU A 35 9.410 0.030 23.034 1.00 60.14 C ATOM 535 O GLU A 35 9.559 1.219 22.751 1.00 23.20 O ATOM 536 CB GLU A 35 8.217 -0.629 25.132 1.00 73.30 C ATOM 537 CG GLU A 35 7.090 0.037 25.905 1.00 42.21 C ATOM 538 CD GLU A 35 6.906 1.494 25.528 1.00 0.12 C ATOM 539 OE1 GLU A 35 7.836 2.291 25.771 1.00 32.03 O ATOM 540 OE2 GLU A 35 5.832 1.837 24.991 1.00 0.41 O ATOM 0 H GLU A 35 7.847 -2.559 23.605 1.00 60.30 H new ATOM 0 HA GLU A 35 7.312 0.253 23.394 1.00 15.23 H new ATOM 0 HB2 GLU A 35 8.240 -1.690 25.381 1.00 73.30 H new ATOM 0 HB3 GLU A 35 9.168 -0.205 25.455 1.00 73.30 H new ATOM 0 HG2 GLU A 35 6.161 -0.502 25.722 1.00 42.21 H new ATOM 0 HG3 GLU A 35 7.295 -0.035 26.973 1.00 42.21 H new ATOM 547 N GLN A 36 10.363 -0.880 22.861 1.00 25.51 N ATOM 548 CA GLN A 36 11.668 -0.527 22.316 1.00 75.21 C ATOM 549 C GLN A 36 11.569 -0.214 20.826 1.00 60.31 C ATOM 550 O GLN A 36 12.076 0.807 20.361 1.00 51.05 O ATOM 551 CB GLN A 36 12.665 -1.663 22.545 1.00 25.45 C ATOM 552 CG GLN A 36 13.941 -1.527 21.730 1.00 64.12 C ATOM 553 CD GLN A 36 15.189 -1.776 22.553 1.00 44.10 C ATOM 554 OE1 GLN A 36 15.641 -0.905 23.296 1.00 1.40 O ATOM 555 NE2 GLN A 36 15.754 -2.972 22.426 1.00 43.33 N ATOM 0 H GLN A 36 10.255 -1.868 23.091 1.00 25.51 H new ATOM 0 HA GLN A 36 12.020 0.365 22.834 1.00 75.21 H new ATOM 0 HB2 GLN A 36 12.922 -1.701 23.603 1.00 25.45 H new ATOM 0 HB3 GLN A 36 12.186 -2.611 22.299 1.00 25.45 H new ATOM 0 HG2 GLN A 36 13.913 -2.231 20.898 1.00 64.12 H new ATOM 0 HG3 GLN A 36 13.988 -0.527 21.300 1.00 64.12 H new ATOM 0 HE21 GLN A 36 15.346 -3.665 21.798 1.00 43.33 H new ATOM 0 HE22 GLN A 36 16.596 -3.197 22.956 1.00 43.33 H new ATOM 564 N LEU A 37 10.914 -1.100 20.084 1.00 73.34 N ATOM 565 CA LEU A 37 10.749 -0.918 18.646 1.00 44.34 C ATOM 566 C LEU A 37 9.971 0.358 18.343 1.00 71.13 C ATOM 567 O LEU A 37 10.272 1.070 17.384 1.00 44.32 O ATOM 568 CB LEU A 37 10.028 -2.123 18.039 1.00 25.15 C ATOM 569 CG LEU A 37 10.241 -2.350 16.542 1.00 13.43 C ATOM 570 CD1 LEU A 37 11.560 -3.066 16.294 1.00 51.41 C ATOM 571 CD2 LEU A 37 9.083 -3.142 15.952 1.00 54.14 C ATOM 0 H LEU A 37 10.489 -1.950 20.454 1.00 73.34 H new ATOM 0 HA LEU A 37 11.740 -0.832 18.201 1.00 44.34 H new ATOM 0 HB2 LEU A 37 10.349 -3.019 18.571 1.00 25.15 H new ATOM 0 HB3 LEU A 37 8.959 -2.010 18.220 1.00 25.15 H new ATOM 0 HG LEU A 37 10.279 -1.379 16.048 1.00 13.43 H new ATOM 0 HD11 LEU A 37 11.695 -3.219 15.223 1.00 51.41 H new ATOM 0 HD12 LEU A 37 12.380 -2.461 16.680 1.00 51.41 H new ATOM 0 HD13 LEU A 37 11.551 -4.031 16.800 1.00 51.41 H new ATOM 0 HD21 LEU A 37 9.252 -3.294 14.886 1.00 54.14 H new ATOM 0 HD22 LEU A 37 9.013 -4.109 16.450 1.00 54.14 H new ATOM 0 HD23 LEU A 37 8.154 -2.591 16.097 1.00 54.14 H new ATOM 583 N LEU A 38 8.971 0.645 19.169 1.00 41.13 N ATOM 584 CA LEU A 38 8.150 1.838 18.992 1.00 42.24 C ATOM 585 C LEU A 38 8.990 3.102 19.135 1.00 73.24 C ATOM 586 O LEU A 38 8.922 4.002 18.298 1.00 1.23 O ATOM 587 CB LEU A 38 7.009 1.852 20.011 1.00 43.42 C ATOM 588 CG LEU A 38 6.238 3.166 20.138 1.00 13.52 C ATOM 589 CD1 LEU A 38 6.988 4.140 21.035 1.00 4.11 C ATOM 590 CD2 LEU A 38 6.000 3.780 18.766 1.00 60.12 C ATOM 0 H LEU A 38 8.709 0.068 19.968 1.00 41.13 H new ATOM 0 HA LEU A 38 7.730 1.814 17.986 1.00 42.24 H new ATOM 0 HB2 LEU A 38 6.303 1.064 19.747 1.00 43.42 H new ATOM 0 HB3 LEU A 38 7.419 1.599 20.989 1.00 43.42 H new ATOM 0 HG LEU A 38 5.270 2.954 20.593 1.00 13.52 H new ATOM 0 HD11 LEU A 38 6.425 5.070 21.114 1.00 4.11 H new ATOM 0 HD12 LEU A 38 7.108 3.703 22.026 1.00 4.11 H new ATOM 0 HD13 LEU A 38 7.970 4.346 20.608 1.00 4.11 H new ATOM 0 HD21 LEU A 38 5.450 4.715 18.876 1.00 60.12 H new ATOM 0 HD22 LEU A 38 6.958 3.977 18.285 1.00 60.12 H new ATOM 0 HD23 LEU A 38 5.422 3.089 18.153 1.00 60.12 H new ATOM 602 N GLN A 39 9.782 3.163 20.201 1.00 42.33 N ATOM 603 CA GLN A 39 10.637 4.317 20.452 1.00 73.53 C ATOM 604 C GLN A 39 11.666 4.486 19.339 1.00 53.11 C ATOM 605 O GLN A 39 11.804 5.567 18.764 1.00 72.52 O ATOM 606 CB GLN A 39 11.346 4.171 21.799 1.00 22.21 C ATOM 607 CG GLN A 39 11.039 5.296 22.775 1.00 43.32 C ATOM 608 CD GLN A 39 12.291 5.916 23.362 1.00 53.31 C ATOM 609 OE1 GLN A 39 13.113 6.485 22.642 1.00 52.13 O ATOM 610 NE2 GLN A 39 12.444 5.811 24.676 1.00 64.41 N ATOM 0 H GLN A 39 9.849 2.427 20.904 1.00 42.33 H new ATOM 0 HA GLN A 39 10.006 5.205 20.476 1.00 73.53 H new ATOM 0 HB2 GLN A 39 11.058 3.221 22.250 1.00 22.21 H new ATOM 0 HB3 GLN A 39 12.422 4.131 21.631 1.00 22.21 H new ATOM 0 HG2 GLN A 39 10.461 6.067 22.265 1.00 43.32 H new ATOM 0 HG3 GLN A 39 10.415 4.912 23.582 1.00 43.32 H new ATOM 0 HE21 GLN A 39 11.738 5.331 25.235 1.00 64.41 H new ATOM 0 HE22 GLN A 39 13.267 6.210 25.127 1.00 64.41 H new ATOM 619 N LEU A 40 12.386 3.411 19.038 1.00 14.12 N ATOM 620 CA LEU A 40 13.403 3.439 17.993 1.00 31.34 C ATOM 621 C LEU A 40 12.786 3.782 16.641 1.00 52.03 C ATOM 622 O LEU A 40 13.242 4.696 15.954 1.00 14.43 O ATOM 623 CB LEU A 40 14.117 2.088 17.912 1.00 14.14 C ATOM 624 CG LEU A 40 15.626 2.140 17.669 1.00 34.22 C ATOM 625 CD1 LEU A 40 16.189 0.736 17.509 1.00 35.44 C ATOM 626 CD2 LEU A 40 15.939 2.985 16.442 1.00 33.34 C ATOM 0 H LEU A 40 12.284 2.509 19.503 1.00 14.12 H new ATOM 0 HA LEU A 40 14.128 4.212 18.247 1.00 31.34 H new ATOM 0 HB2 LEU A 40 13.937 1.548 18.842 1.00 14.14 H new ATOM 0 HB3 LEU A 40 13.660 1.506 17.112 1.00 14.14 H new ATOM 0 HG LEU A 40 16.099 2.603 18.535 1.00 34.22 H new ATOM 0 HD11 LEU A 40 17.264 0.792 17.337 1.00 35.44 H new ATOM 0 HD12 LEU A 40 15.996 0.161 18.415 1.00 35.44 H new ATOM 0 HD13 LEU A 40 15.711 0.247 16.660 1.00 35.44 H new ATOM 0 HD21 LEU A 40 17.017 3.011 16.284 1.00 33.34 H new ATOM 0 HD22 LEU A 40 15.454 2.550 15.568 1.00 33.34 H new ATOM 0 HD23 LEU A 40 15.570 3.999 16.595 1.00 33.34 H new ATOM 638 N ILE A 41 11.745 3.046 16.267 1.00 10.22 N ATOM 639 CA ILE A 41 11.064 3.275 15.000 1.00 14.23 C ATOM 640 C ILE A 41 10.456 4.672 14.947 1.00 21.42 C ATOM 641 O ILE A 41 10.376 5.286 13.884 1.00 42.34 O ATOM 642 CB ILE A 41 9.953 2.235 14.762 1.00 45.41 C ATOM 643 CG1 ILE A 41 10.563 0.850 14.528 1.00 54.32 C ATOM 644 CG2 ILE A 41 9.089 2.645 13.579 1.00 71.12 C ATOM 645 CD1 ILE A 41 11.384 0.757 13.261 1.00 74.32 C ATOM 0 H ILE A 41 11.355 2.286 16.824 1.00 10.22 H new ATOM 0 HA ILE A 41 11.815 3.178 14.216 1.00 14.23 H new ATOM 0 HB ILE A 41 9.322 2.189 15.650 1.00 45.41 H new ATOM 0 HG12 ILE A 41 11.193 0.591 15.379 1.00 54.32 H new ATOM 0 HG13 ILE A 41 9.762 0.112 14.487 1.00 54.32 H new ATOM 0 HG21 ILE A 41 8.308 1.900 13.423 1.00 71.12 H new ATOM 0 HG22 ILE A 41 8.631 3.614 13.781 1.00 71.12 H new ATOM 0 HG23 ILE A 41 9.707 2.715 12.684 1.00 71.12 H new ATOM 0 HD11 ILE A 41 11.785 -0.252 13.160 1.00 74.32 H new ATOM 0 HD12 ILE A 41 10.754 0.984 12.401 1.00 74.32 H new ATOM 0 HD13 ILE A 41 12.206 1.471 13.307 1.00 74.32 H new ATOM 657 N PHE A 42 10.030 5.170 16.103 1.00 2.24 N ATOM 658 CA PHE A 42 9.430 6.497 16.190 1.00 25.34 C ATOM 659 C PHE A 42 10.415 7.569 15.734 1.00 72.45 C ATOM 660 O PHE A 42 10.084 8.419 14.907 1.00 54.51 O ATOM 661 CB PHE A 42 8.975 6.781 17.623 1.00 32.22 C ATOM 662 CG PHE A 42 8.549 8.203 17.845 1.00 74.44 C ATOM 663 CD1 PHE A 42 7.513 8.754 17.107 1.00 31.21 C ATOM 664 CD2 PHE A 42 9.183 8.991 18.793 1.00 53.15 C ATOM 665 CE1 PHE A 42 7.119 10.063 17.309 1.00 24.21 C ATOM 666 CE2 PHE A 42 8.793 10.302 19.000 1.00 45.41 C ATOM 667 CZ PHE A 42 7.759 10.837 18.257 1.00 14.52 C ATOM 0 H PHE A 42 10.089 4.675 16.993 1.00 2.24 H new ATOM 0 HA PHE A 42 8.563 6.521 15.530 1.00 25.34 H new ATOM 0 HB2 PHE A 42 8.145 6.119 17.870 1.00 32.22 H new ATOM 0 HB3 PHE A 42 9.789 6.543 18.308 1.00 32.22 H new ATOM 0 HD1 PHE A 42 7.008 8.153 16.365 1.00 31.21 H new ATOM 0 HD2 PHE A 42 9.991 8.576 19.377 1.00 53.15 H new ATOM 0 HE1 PHE A 42 6.311 10.480 16.726 1.00 24.21 H new ATOM 0 HE2 PHE A 42 9.296 10.906 19.741 1.00 45.41 H new ATOM 0 HZ PHE A 42 7.451 11.860 18.417 1.00 14.52 H new ATOM 677 N LYS A 43 11.625 7.524 16.280 1.00 44.44 N ATOM 678 CA LYS A 43 12.658 8.491 15.930 1.00 23.04 C ATOM 679 C LYS A 43 13.182 8.241 14.520 1.00 1.41 C ATOM 680 O LYS A 43 13.553 9.177 13.810 1.00 32.41 O ATOM 681 CB LYS A 43 13.812 8.420 16.934 1.00 2.31 C ATOM 682 CG LYS A 43 14.317 9.782 17.378 1.00 71.54 C ATOM 683 CD LYS A 43 15.561 9.661 18.241 1.00 71.42 C ATOM 684 CE LYS A 43 16.256 11.004 18.409 1.00 52.14 C ATOM 685 NZ LYS A 43 17.445 11.128 17.521 1.00 21.31 N ATOM 0 H LYS A 43 11.914 6.828 16.967 1.00 44.44 H new ATOM 0 HA LYS A 43 12.215 9.486 15.963 1.00 23.04 H new ATOM 0 HB2 LYS A 43 13.486 7.859 17.810 1.00 2.31 H new ATOM 0 HB3 LYS A 43 14.637 7.864 16.488 1.00 2.31 H new ATOM 0 HG2 LYS A 43 14.539 10.392 16.502 1.00 71.54 H new ATOM 0 HG3 LYS A 43 13.535 10.297 17.936 1.00 71.54 H new ATOM 0 HD2 LYS A 43 15.289 9.266 19.220 1.00 71.42 H new ATOM 0 HD3 LYS A 43 16.250 8.947 17.790 1.00 71.42 H new ATOM 0 HE2 LYS A 43 15.553 11.807 18.188 1.00 52.14 H new ATOM 0 HE3 LYS A 43 16.564 11.126 19.447 1.00 52.14 H new ATOM 0 HZ1 LYS A 43 17.891 12.057 17.665 1.00 21.31 H new ATOM 0 HZ2 LYS A 43 18.128 10.377 17.748 1.00 21.31 H new ATOM 0 HZ3 LYS A 43 17.148 11.037 16.528 1.00 21.31 H new ATOM 699 N SER A 44 13.208 6.974 14.118 1.00 14.44 N ATOM 700 CA SER A 44 13.689 6.602 12.793 1.00 51.55 C ATOM 701 C SER A 44 12.733 7.097 11.710 1.00 4.14 C ATOM 702 O SER A 44 13.150 7.735 10.744 1.00 73.11 O ATOM 703 CB SER A 44 13.850 5.084 12.693 1.00 73.32 C ATOM 704 OG SER A 44 15.086 4.665 13.244 1.00 30.23 O ATOM 0 H SER A 44 12.901 6.188 14.691 1.00 14.44 H new ATOM 0 HA SER A 44 14.660 7.073 12.640 1.00 51.55 H new ATOM 0 HB2 SER A 44 13.030 4.593 13.217 1.00 73.32 H new ATOM 0 HB3 SER A 44 13.791 4.777 11.649 1.00 73.32 H new ATOM 0 HG SER A 44 15.164 3.691 13.169 1.00 30.23 H new ATOM 710 N ILE A 45 11.451 6.794 11.880 1.00 53.25 N ATOM 711 CA ILE A 45 10.435 7.208 10.919 1.00 33.22 C ATOM 712 C ILE A 45 10.284 8.725 10.899 1.00 72.33 C ATOM 713 O ILE A 45 10.016 9.320 9.854 1.00 23.12 O ATOM 714 CB ILE A 45 9.070 6.571 11.234 1.00 64.10 C ATOM 715 CG1 ILE A 45 9.136 5.054 11.048 1.00 24.13 C ATOM 716 CG2 ILE A 45 7.988 7.172 10.348 1.00 11.14 C ATOM 717 CD1 ILE A 45 7.808 4.360 11.257 1.00 60.21 C ATOM 0 H ILE A 45 11.091 6.264 12.673 1.00 53.25 H new ATOM 0 HA ILE A 45 10.768 6.866 9.939 1.00 33.22 H new ATOM 0 HB ILE A 45 8.819 6.780 12.274 1.00 64.10 H new ATOM 0 HG12 ILE A 45 9.497 4.835 10.043 1.00 24.13 H new ATOM 0 HG13 ILE A 45 9.865 4.642 11.745 1.00 24.13 H new ATOM 0 HG21 ILE A 45 7.028 6.711 10.582 1.00 11.14 H new ATOM 0 HG22 ILE A 45 7.928 8.246 10.525 1.00 11.14 H new ATOM 0 HG23 ILE A 45 8.232 6.990 9.301 1.00 11.14 H new ATOM 0 HD11 ILE A 45 7.931 3.287 11.109 1.00 60.21 H new ATOM 0 HD12 ILE A 45 7.455 4.548 12.271 1.00 60.21 H new ATOM 0 HD13 ILE A 45 7.080 4.744 10.542 1.00 60.21 H new ATOM 729 N ASP A 46 10.457 9.347 12.061 1.00 42.35 N ATOM 730 CA ASP A 46 10.342 10.796 12.177 1.00 51.11 C ATOM 731 C ASP A 46 11.656 11.477 11.809 1.00 44.11 C ATOM 732 O ASP A 46 12.691 11.227 12.427 1.00 64.11 O ATOM 733 CB ASP A 46 9.932 11.184 13.599 1.00 52.30 C ATOM 734 CG ASP A 46 9.112 12.459 13.637 1.00 72.30 C ATOM 735 OD1 ASP A 46 9.211 13.257 12.683 1.00 0.51 O ATOM 736 OD2 ASP A 46 8.372 12.659 14.624 1.00 2.04 O ATOM 0 H ASP A 46 10.677 8.870 12.935 1.00 42.35 H new ATOM 0 HA ASP A 46 9.573 11.132 11.481 1.00 51.11 H new ATOM 0 HB2 ASP A 46 9.356 10.372 14.043 1.00 52.30 H new ATOM 0 HB3 ASP A 46 10.826 11.312 14.210 1.00 52.30 H new ATOM 741 N ALA A 47 11.608 12.338 10.798 1.00 42.35 N ATOM 742 CA ALA A 47 12.794 13.055 10.348 1.00 40.41 C ATOM 743 C ALA A 47 13.303 14.005 11.426 1.00 52.43 C ATOM 744 O ALA A 47 14.509 14.127 11.640 1.00 32.54 O ATOM 745 CB ALA A 47 12.495 13.819 9.066 1.00 73.43 C ATOM 0 H ALA A 47 10.760 12.556 10.275 1.00 42.35 H new ATOM 0 HA ALA A 47 13.576 12.323 10.147 1.00 40.41 H new ATOM 0 HB1 ALA A 47 13.390 14.350 8.742 1.00 73.43 H new ATOM 0 HB2 ALA A 47 12.186 13.119 8.289 1.00 73.43 H new ATOM 0 HB3 ALA A 47 11.694 14.536 9.248 1.00 73.43 H new ATOM 751 N ASP A 48 12.376 14.678 12.101 1.00 3.43 N ATOM 752 CA ASP A 48 12.731 15.617 13.157 1.00 15.03 C ATOM 753 C ASP A 48 12.361 15.059 14.528 1.00 71.41 C ATOM 754 O ASP A 48 12.831 15.546 15.555 1.00 21.13 O ATOM 755 CB ASP A 48 12.031 16.959 12.933 1.00 24.24 C ATOM 756 CG ASP A 48 10.524 16.818 12.851 1.00 63.41 C ATOM 757 OD1 ASP A 48 10.026 15.680 12.986 1.00 55.13 O ATOM 758 OD2 ASP A 48 9.842 17.846 12.654 1.00 1.23 O ATOM 0 H ASP A 48 11.374 14.590 11.935 1.00 3.43 H new ATOM 0 HA ASP A 48 13.810 15.769 13.126 1.00 15.03 H new ATOM 0 HB2 ASP A 48 12.286 17.639 13.746 1.00 24.24 H new ATOM 0 HB3 ASP A 48 12.402 17.410 12.012 1.00 24.24 H new ATOM 763 N GLY A 49 11.514 14.034 14.535 1.00 61.34 N ATOM 764 CA GLY A 49 11.093 13.428 15.785 1.00 45.40 C ATOM 765 C GLY A 49 10.422 14.420 16.713 1.00 31.45 C ATOM 766 O GLY A 49 10.544 14.317 17.934 1.00 52.40 O ATOM 0 H GLY A 49 11.112 13.613 13.698 1.00 61.34 H new ATOM 0 HA2 GLY A 49 10.405 12.609 15.575 1.00 45.40 H new ATOM 0 HA3 GLY A 49 11.959 12.996 16.286 1.00 45.40 H new ATOM 770 N ASN A 50 9.714 15.384 16.135 1.00 63.41 N ATOM 771 CA ASN A 50 9.022 16.400 16.921 1.00 4.32 C ATOM 772 C ASN A 50 7.643 15.910 17.350 1.00 74.35 C ATOM 773 O ASN A 50 6.631 16.266 16.748 1.00 60.42 O ATOM 774 CB ASN A 50 8.888 17.693 16.114 1.00 73.10 C ATOM 775 CG ASN A 50 8.127 17.491 14.818 1.00 3.02 C ATOM 776 OD1 ASN A 50 7.949 16.362 14.360 1.00 32.13 O ATOM 777 ND2 ASN A 50 7.675 18.586 14.220 1.00 20.12 N ATOM 0 H ASN A 50 9.604 15.484 15.126 1.00 63.41 H new ATOM 0 HA ASN A 50 9.612 16.597 17.816 1.00 4.32 H new ATOM 0 HB2 ASN A 50 8.378 18.444 16.718 1.00 73.10 H new ATOM 0 HB3 ASN A 50 9.881 18.084 15.892 1.00 73.10 H new ATOM 0 HD21 ASN A 50 7.157 18.512 13.345 1.00 20.12 H new ATOM 0 HD22 ASN A 50 7.846 19.502 14.636 1.00 20.12 H new ATOM 784 N GLY A 51 7.611 15.092 18.398 1.00 45.02 N ATOM 785 CA GLY A 51 6.351 14.567 18.891 1.00 42.12 C ATOM 786 C GLY A 51 5.714 13.587 17.926 1.00 43.13 C ATOM 787 O GLY A 51 5.248 12.522 18.331 1.00 32.50 O ATOM 0 H GLY A 51 8.435 14.784 18.914 1.00 45.02 H new ATOM 0 HA2 GLY A 51 6.516 14.074 19.849 1.00 42.12 H new ATOM 0 HA3 GLY A 51 5.663 15.393 19.072 1.00 42.12 H new ATOM 791 N GLU A 52 5.693 13.947 16.647 1.00 64.11 N ATOM 792 CA GLU A 52 5.105 13.092 15.622 1.00 23.43 C ATOM 793 C GLU A 52 5.766 13.331 14.268 1.00 31.41 C ATOM 794 O GLU A 52 6.472 14.321 14.077 1.00 13.45 O ATOM 795 CB GLU A 52 3.599 13.343 15.518 1.00 21.34 C ATOM 796 CG GLU A 52 3.224 14.814 15.561 1.00 42.03 C ATOM 797 CD GLU A 52 4.053 15.655 14.610 1.00 33.11 C ATOM 798 OE1 GLU A 52 4.067 15.344 13.401 1.00 1.03 O ATOM 799 OE2 GLU A 52 4.688 16.625 15.076 1.00 11.41 O ATOM 0 H GLU A 52 6.076 14.825 16.296 1.00 64.11 H new ATOM 0 HA GLU A 52 5.274 12.055 15.911 1.00 23.43 H new ATOM 0 HB2 GLU A 52 3.230 12.910 14.588 1.00 21.34 H new ATOM 0 HB3 GLU A 52 3.095 12.824 16.334 1.00 21.34 H new ATOM 0 HG2 GLU A 52 2.169 14.924 15.311 1.00 42.03 H new ATOM 0 HG3 GLU A 52 3.352 15.188 16.577 1.00 42.03 H new ATOM 806 N ILE A 53 5.532 12.417 13.332 1.00 11.12 N ATOM 807 CA ILE A 53 6.104 12.529 11.996 1.00 22.35 C ATOM 808 C ILE A 53 5.134 13.212 11.039 1.00 4.32 C ATOM 809 O ILE A 53 3.995 12.773 10.874 1.00 33.34 O ATOM 810 CB ILE A 53 6.483 11.148 11.429 1.00 61.13 C ATOM 811 CG1 ILE A 53 7.094 10.272 12.524 1.00 53.51 C ATOM 812 CG2 ILE A 53 7.448 11.301 10.264 1.00 44.50 C ATOM 813 CD1 ILE A 53 6.183 9.157 12.986 1.00 12.23 C ATOM 0 H ILE A 53 4.951 11.591 13.474 1.00 11.12 H new ATOM 0 HA ILE A 53 7.006 13.134 12.088 1.00 22.35 H new ATOM 0 HB ILE A 53 5.579 10.661 11.064 1.00 61.13 H new ATOM 0 HG12 ILE A 53 8.025 9.840 12.155 1.00 53.51 H new ATOM 0 HG13 ILE A 53 7.350 10.899 13.378 1.00 53.51 H new ATOM 0 HG21 ILE A 53 7.707 10.317 9.874 1.00 44.50 H new ATOM 0 HG22 ILE A 53 6.978 11.891 9.477 1.00 44.50 H new ATOM 0 HG23 ILE A 53 8.352 11.805 10.604 1.00 44.50 H new ATOM 0 HD11 ILE A 53 6.682 8.578 13.763 1.00 12.23 H new ATOM 0 HD12 ILE A 53 5.262 9.582 13.385 1.00 12.23 H new ATOM 0 HD13 ILE A 53 5.947 8.507 12.143 1.00 12.23 H new ATOM 825 N ASP A 54 5.593 14.287 10.407 1.00 44.12 N ATOM 826 CA ASP A 54 4.767 15.030 9.463 1.00 2.32 C ATOM 827 C ASP A 54 4.673 14.295 8.129 1.00 25.40 C ATOM 828 O ASP A 54 5.510 13.450 7.815 1.00 52.40 O ATOM 829 CB ASP A 54 5.337 16.432 9.247 1.00 12.22 C ATOM 830 CG ASP A 54 5.817 17.066 10.537 1.00 14.33 C ATOM 831 OD1 ASP A 54 5.275 16.720 11.607 1.00 21.41 O ATOM 832 OD2 ASP A 54 6.738 17.909 10.478 1.00 44.05 O ATOM 0 H ASP A 54 6.533 14.663 10.532 1.00 44.12 H new ATOM 0 HA ASP A 54 3.765 15.115 9.883 1.00 2.32 H new ATOM 0 HB2 ASP A 54 6.166 16.379 8.541 1.00 12.22 H new ATOM 0 HB3 ASP A 54 4.574 17.066 8.796 1.00 12.22 H new ATOM 837 N GLN A 55 3.646 14.622 7.351 1.00 11.51 N ATOM 838 CA GLN A 55 3.442 13.992 6.052 1.00 65.45 C ATOM 839 C GLN A 55 4.692 14.109 5.186 1.00 74.44 C ATOM 840 O GLN A 55 5.113 13.143 4.553 1.00 1.33 O ATOM 841 CB GLN A 55 2.248 14.626 5.335 1.00 3.20 C ATOM 842 CG GLN A 55 2.332 16.141 5.239 1.00 20.33 C ATOM 843 CD GLN A 55 1.034 16.769 4.773 1.00 51.33 C ATOM 844 OE1 GLN A 55 0.061 16.844 5.524 1.00 31.02 O ATOM 845 NE2 GLN A 55 1.012 17.225 3.525 1.00 71.32 N ATOM 0 H GLN A 55 2.943 15.319 7.597 1.00 11.51 H new ATOM 0 HA GLN A 55 3.237 12.935 6.219 1.00 65.45 H new ATOM 0 HB2 GLN A 55 2.175 14.210 4.330 1.00 3.20 H new ATOM 0 HB3 GLN A 55 1.333 14.353 5.860 1.00 3.20 H new ATOM 0 HG2 GLN A 55 2.599 16.549 6.214 1.00 20.33 H new ATOM 0 HG3 GLN A 55 3.131 16.414 4.550 1.00 20.33 H new ATOM 0 HE21 GLN A 55 1.841 17.142 2.937 1.00 71.32 H new ATOM 0 HE22 GLN A 55 0.166 17.658 3.155 1.00 71.32 H new ATOM 854 N ASN A 56 5.279 15.302 5.164 1.00 4.34 N ATOM 855 CA ASN A 56 6.482 15.547 4.375 1.00 62.55 C ATOM 856 C ASN A 56 7.607 14.605 4.792 1.00 43.33 C ATOM 857 O ASN A 56 8.225 13.951 3.951 1.00 63.24 O ATOM 858 CB ASN A 56 6.932 17.000 4.533 1.00 3.22 C ATOM 859 CG ASN A 56 7.536 17.560 3.259 1.00 70.31 C ATOM 860 OD1 ASN A 56 8.694 17.975 3.238 1.00 11.43 O ATOM 861 ND2 ASN A 56 6.749 17.574 2.188 1.00 31.24 N ATOM 0 H ASN A 56 4.942 16.113 5.683 1.00 4.34 H new ATOM 0 HA ASN A 56 6.245 15.359 3.328 1.00 62.55 H new ATOM 0 HB2 ASN A 56 6.079 17.612 4.827 1.00 3.22 H new ATOM 0 HB3 ASN A 56 7.664 17.065 5.338 1.00 3.22 H new ATOM 0 HD21 ASN A 56 7.099 17.939 1.302 1.00 31.24 H new ATOM 0 HD22 ASN A 56 5.795 17.219 2.252 1.00 31.24 H new ATOM 868 N GLU A 57 7.866 14.541 6.094 1.00 0.53 N ATOM 869 CA GLU A 57 8.917 13.678 6.621 1.00 54.33 C ATOM 870 C GLU A 57 8.655 12.218 6.260 1.00 14.53 C ATOM 871 O GLU A 57 9.565 11.495 5.855 1.00 3.12 O ATOM 872 CB GLU A 57 9.018 13.830 8.140 1.00 41.23 C ATOM 873 CG GLU A 57 9.200 15.268 8.597 1.00 2.44 C ATOM 874 CD GLU A 57 8.790 15.476 10.042 1.00 71.35 C ATOM 875 OE1 GLU A 57 8.294 14.514 10.664 1.00 3.02 O ATOM 876 OE2 GLU A 57 8.965 16.604 10.551 1.00 51.23 O ATOM 0 H GLU A 57 7.363 15.076 6.803 1.00 0.53 H new ATOM 0 HA GLU A 57 9.862 13.981 6.169 1.00 54.33 H new ATOM 0 HB2 GLU A 57 8.116 13.423 8.598 1.00 41.23 H new ATOM 0 HB3 GLU A 57 9.856 13.234 8.501 1.00 41.23 H new ATOM 0 HG2 GLU A 57 10.244 15.555 8.474 1.00 2.44 H new ATOM 0 HG3 GLU A 57 8.611 15.926 7.958 1.00 2.44 H new ATOM 883 N PHE A 58 7.406 11.793 6.411 1.00 60.54 N ATOM 884 CA PHE A 58 7.024 10.420 6.104 1.00 63.12 C ATOM 885 C PHE A 58 7.212 10.122 4.619 1.00 31.23 C ATOM 886 O PHE A 58 7.690 9.051 4.246 1.00 33.01 O ATOM 887 CB PHE A 58 5.568 10.171 6.505 1.00 40.53 C ATOM 888 CG PHE A 58 5.239 8.719 6.700 1.00 73.31 C ATOM 889 CD1 PHE A 58 4.828 7.938 5.632 1.00 53.04 C ATOM 890 CD2 PHE A 58 5.341 8.134 7.952 1.00 71.02 C ATOM 891 CE1 PHE A 58 4.524 6.601 5.808 1.00 13.33 C ATOM 892 CE2 PHE A 58 5.040 6.798 8.135 1.00 42.44 C ATOM 893 CZ PHE A 58 4.630 6.030 7.061 1.00 33.12 C ATOM 0 H PHE A 58 6.641 12.379 6.744 1.00 60.54 H new ATOM 0 HA PHE A 58 7.670 9.753 6.675 1.00 63.12 H new ATOM 0 HB2 PHE A 58 5.357 10.710 7.428 1.00 40.53 H new ATOM 0 HB3 PHE A 58 4.913 10.584 5.738 1.00 40.53 H new ATOM 0 HD1 PHE A 58 4.744 8.379 4.650 1.00 53.04 H new ATOM 0 HD2 PHE A 58 5.660 8.729 8.795 1.00 71.02 H new ATOM 0 HE1 PHE A 58 4.204 6.004 4.967 1.00 13.33 H new ATOM 0 HE2 PHE A 58 5.125 6.354 9.116 1.00 42.44 H new ATOM 0 HZ PHE A 58 4.393 4.986 7.202 1.00 33.12 H new ATOM 903 N ALA A 59 6.833 11.077 3.778 1.00 54.02 N ATOM 904 CA ALA A 59 6.961 10.919 2.334 1.00 73.14 C ATOM 905 C ALA A 59 8.415 10.696 1.934 1.00 22.15 C ATOM 906 O ALA A 59 8.734 9.743 1.222 1.00 55.21 O ATOM 907 CB ALA A 59 6.395 12.137 1.618 1.00 42.11 C ATOM 0 H ALA A 59 6.434 11.969 4.071 1.00 54.02 H new ATOM 0 HA ALA A 59 6.391 10.039 2.037 1.00 73.14 H new ATOM 0 HB1 ALA A 59 6.497 12.006 0.541 1.00 42.11 H new ATOM 0 HB2 ALA A 59 5.341 12.251 1.872 1.00 42.11 H new ATOM 0 HB3 ALA A 59 6.941 13.028 1.928 1.00 42.11 H new ATOM 913 N LYS A 60 9.294 11.579 2.395 1.00 74.31 N ATOM 914 CA LYS A 60 10.715 11.478 2.086 1.00 53.44 C ATOM 915 C LYS A 60 11.323 10.231 2.720 1.00 52.14 C ATOM 916 O LYS A 60 12.329 9.708 2.242 1.00 4.43 O ATOM 917 CB LYS A 60 11.454 12.725 2.577 1.00 53.34 C ATOM 918 CG LYS A 60 10.918 14.021 1.991 1.00 22.10 C ATOM 919 CD LYS A 60 11.591 14.356 0.671 1.00 1.52 C ATOM 920 CE LYS A 60 12.996 14.900 0.883 1.00 22.24 C ATOM 921 NZ LYS A 60 12.979 16.265 1.478 1.00 61.15 N ATOM 0 H LYS A 60 9.047 12.374 2.985 1.00 74.31 H new ATOM 0 HA LYS A 60 10.821 11.402 1.004 1.00 53.44 H new ATOM 0 HB2 LYS A 60 11.387 12.772 3.664 1.00 53.34 H new ATOM 0 HB3 LYS A 60 12.511 12.633 2.327 1.00 53.34 H new ATOM 0 HG2 LYS A 60 9.842 13.936 1.840 1.00 22.10 H new ATOM 0 HG3 LYS A 60 11.077 14.835 2.699 1.00 22.10 H new ATOM 0 HD2 LYS A 60 11.636 13.463 0.047 1.00 1.52 H new ATOM 0 HD3 LYS A 60 10.993 15.091 0.133 1.00 1.52 H new ATOM 0 HE2 LYS A 60 13.551 14.226 1.536 1.00 22.24 H new ATOM 0 HE3 LYS A 60 13.523 14.926 -0.071 1.00 22.24 H new ATOM 0 HZ1 LYS A 60 13.918 16.701 1.374 1.00 61.15 H new ATOM 0 HZ2 LYS A 60 12.271 16.848 0.989 1.00 61.15 H new ATOM 0 HZ3 LYS A 60 12.737 16.201 2.487 1.00 61.15 H new ATOM 935 N PHE A 61 10.705 9.760 3.797 1.00 60.35 N ATOM 936 CA PHE A 61 11.185 8.574 4.497 1.00 11.40 C ATOM 937 C PHE A 61 10.744 7.303 3.778 1.00 50.42 C ATOM 938 O PHE A 61 11.464 6.304 3.762 1.00 52.13 O ATOM 939 CB PHE A 61 10.671 8.563 5.938 1.00 24.12 C ATOM 940 CG PHE A 61 10.586 7.186 6.533 1.00 34.21 C ATOM 941 CD1 PHE A 61 11.711 6.382 6.614 1.00 22.13 C ATOM 942 CD2 PHE A 61 9.381 6.697 7.011 1.00 23.03 C ATOM 943 CE1 PHE A 61 11.637 5.115 7.162 1.00 12.24 C ATOM 944 CE2 PHE A 61 9.301 5.431 7.561 1.00 44.22 C ATOM 945 CZ PHE A 61 10.430 4.639 7.635 1.00 22.02 C ATOM 0 H PHE A 61 9.870 10.181 4.205 1.00 60.35 H new ATOM 0 HA PHE A 61 12.275 8.605 4.508 1.00 11.40 H new ATOM 0 HB2 PHE A 61 11.328 9.177 6.554 1.00 24.12 H new ATOM 0 HB3 PHE A 61 9.684 9.024 5.967 1.00 24.12 H new ATOM 0 HD1 PHE A 61 12.657 6.749 6.245 1.00 22.13 H new ATOM 0 HD2 PHE A 61 8.495 7.311 6.953 1.00 23.03 H new ATOM 0 HE1 PHE A 61 12.522 4.498 7.220 1.00 12.24 H new ATOM 0 HE2 PHE A 61 8.356 5.062 7.932 1.00 44.22 H new ATOM 0 HZ PHE A 61 10.369 3.649 8.062 1.00 22.02 H new ATOM 955 N TYR A 62 9.556 7.348 3.183 1.00 1.03 N ATOM 956 CA TYR A 62 9.017 6.200 2.465 1.00 1.52 C ATOM 957 C TYR A 62 9.892 5.848 1.265 1.00 25.03 C ATOM 958 O TYR A 62 10.057 6.648 0.346 1.00 74.23 O ATOM 959 CB TYR A 62 7.589 6.487 2.001 1.00 74.44 C ATOM 960 CG TYR A 62 7.029 5.432 1.074 1.00 70.31 C ATOM 961 CD1 TYR A 62 7.190 5.531 -0.302 1.00 21.54 C ATOM 962 CD2 TYR A 62 6.338 4.335 1.576 1.00 22.04 C ATOM 963 CE1 TYR A 62 6.679 4.568 -1.152 1.00 34.44 C ATOM 964 CE2 TYR A 62 5.826 3.367 0.733 1.00 60.31 C ATOM 965 CZ TYR A 62 5.999 3.488 -0.629 1.00 53.34 C ATOM 966 OH TYR A 62 5.490 2.528 -1.473 1.00 60.11 O ATOM 0 H TYR A 62 8.949 8.168 3.184 1.00 1.03 H new ATOM 0 HA TYR A 62 9.007 5.350 3.147 1.00 1.52 H new ATOM 0 HB2 TYR A 62 6.942 6.571 2.874 1.00 74.44 H new ATOM 0 HB3 TYR A 62 7.568 7.452 1.494 1.00 74.44 H new ATOM 0 HD1 TYR A 62 7.723 6.375 -0.715 1.00 21.54 H new ATOM 0 HD2 TYR A 62 6.199 4.238 2.643 1.00 22.04 H new ATOM 0 HE1 TYR A 62 6.812 4.661 -2.220 1.00 34.44 H new ATOM 0 HE2 TYR A 62 5.293 2.520 1.139 1.00 60.31 H new ATOM 0 HH TYR A 62 5.041 1.834 -0.946 1.00 60.11 H new ATOM 976 N GLY A 63 10.451 4.641 1.282 1.00 34.23 N ATOM 977 CA GLY A 63 11.302 4.203 0.192 1.00 62.12 C ATOM 978 C GLY A 63 12.713 4.744 0.304 1.00 12.45 C ATOM 979 O GLY A 63 13.541 4.525 -0.580 1.00 5.05 O ATOM 0 H GLY A 63 10.329 3.960 2.031 1.00 34.23 H new ATOM 0 HA2 GLY A 63 11.334 3.114 0.176 1.00 62.12 H new ATOM 0 HA3 GLY A 63 10.868 4.523 -0.755 1.00 62.12 H new ATOM 983 N SER A 64 12.988 5.456 1.393 1.00 41.43 N ATOM 984 CA SER A 64 14.308 6.035 1.614 1.00 53.44 C ATOM 985 C SER A 64 15.296 4.972 2.084 1.00 34.43 C ATOM 986 O SER A 64 15.892 5.095 3.156 1.00 45.13 O ATOM 987 CB SER A 64 14.227 7.163 2.643 1.00 74.32 C ATOM 988 OG SER A 64 15.215 8.149 2.399 1.00 54.14 O ATOM 0 H SER A 64 12.315 5.645 2.135 1.00 41.43 H new ATOM 0 HA SER A 64 14.663 6.442 0.667 1.00 53.44 H new ATOM 0 HB2 SER A 64 13.238 7.619 2.610 1.00 74.32 H new ATOM 0 HB3 SER A 64 14.356 6.755 3.645 1.00 74.32 H new ATOM 0 HG SER A 64 15.141 8.860 3.070 1.00 54.14 H new ATOM 994 N ILE A 65 15.463 3.930 1.278 1.00 15.32 N ATOM 995 CA ILE A 65 16.379 2.846 1.610 1.00 60.32 C ATOM 996 C ILE A 65 17.761 3.092 1.014 1.00 4.14 C ATOM 997 O ILE A 65 18.578 2.175 0.920 1.00 41.03 O ATOM 998 CB ILE A 65 15.850 1.489 1.111 1.00 30.12 C ATOM 999 CG1 ILE A 65 16.576 0.342 1.819 1.00 60.14 C ATOM 1000 CG2 ILE A 65 16.017 1.377 -0.397 1.00 51.04 C ATOM 1001 CD1 ILE A 65 15.784 -0.946 1.849 1.00 62.20 C ATOM 0 H ILE A 65 14.976 3.813 0.390 1.00 15.32 H new ATOM 0 HA ILE A 65 16.455 2.819 2.697 1.00 60.32 H new ATOM 0 HB ILE A 65 14.788 1.422 1.345 1.00 30.12 H new ATOM 0 HG12 ILE A 65 17.528 0.162 1.320 1.00 60.14 H new ATOM 0 HG13 ILE A 65 16.804 0.643 2.842 1.00 60.14 H new ATOM 0 HG21 ILE A 65 15.638 0.412 -0.734 1.00 51.04 H new ATOM 0 HG22 ILE A 65 15.460 2.176 -0.885 1.00 51.04 H new ATOM 0 HG23 ILE A 65 17.073 1.462 -0.653 1.00 51.04 H new ATOM 0 HD11 ILE A 65 16.359 -1.715 2.365 1.00 62.20 H new ATOM 0 HD12 ILE A 65 14.843 -0.782 2.374 1.00 62.20 H new ATOM 0 HD13 ILE A 65 15.579 -1.271 0.829 1.00 62.20 H new ATOM 1013 N GLN A 66 18.016 4.333 0.614 1.00 65.25 N ATOM 1014 CA GLN A 66 19.299 4.699 0.028 1.00 63.21 C ATOM 1015 C GLN A 66 20.446 4.352 0.971 1.00 11.14 C ATOM 1016 O GLN A 66 20.311 4.541 2.179 1.00 52.44 O ATOM 1017 CB GLN A 66 19.327 6.192 -0.301 1.00 3.32 C ATOM 1018 CG GLN A 66 19.341 6.486 -1.793 1.00 1.12 C ATOM 1019 CD GLN A 66 20.742 6.693 -2.333 1.00 44.33 C ATOM 1020 OE1 GLN A 66 21.386 5.751 -2.799 1.00 55.20 O ATOM 1021 NE2 GLN A 66 21.222 7.929 -2.276 1.00 32.31 N ATOM 0 H GLN A 66 17.350 5.103 0.685 1.00 65.25 H new ATOM 0 HA GLN A 66 19.425 4.130 -0.893 1.00 63.21 H new ATOM 0 HB2 GLN A 66 18.456 6.671 0.147 1.00 3.32 H new ATOM 0 HB3 GLN A 66 20.208 6.640 0.158 1.00 3.32 H new ATOM 0 HG2 GLN A 66 18.868 5.661 -2.327 1.00 1.12 H new ATOM 0 HG3 GLN A 66 18.744 7.377 -1.990 1.00 1.12 H new ATOM 0 HE21 GLN A 66 20.654 8.679 -1.882 1.00 32.31 H new ATOM 0 HE22 GLN A 66 22.159 8.129 -2.626 1.00 32.31 H new TER 1030 GLN A 66 HETATM 1031 CA CA A 101 -3.011 11.776 12.873 1.00 14.10 CA HETATM 1032 CA CA A 102 7.316 15.613 13.134 1.00 2.55 CA