USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 161:sc= 0 (180deg=-0.167) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.0917 (180deg=-0.56) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 89:sc= -0.0811 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -28:sc= 0.782 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 33 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.1) USER MOD Single : A 47 THR OG1 : rot -155:sc= -0.747 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.15) USER MOD Single : A 70 HIS : no HD1:sc= -0.506 K(o=-0.51,f=-1.5) USER MOD Single : A 71 HIS : no HD1:sc=-0.000299 X(o=-0.0003,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.498 0.482 0.462 1.00 74.54 N ATOM 2 CA MET A 1 2.444 0.611 -0.640 1.00 71.54 C ATOM 3 C MET A 1 3.590 -0.386 -0.493 1.00 15.33 C ATOM 4 O MET A 1 4.740 0.001 -0.286 1.00 11.22 O ATOM 5 CB MET A 1 2.997 2.036 -0.702 1.00 33.31 C ATOM 6 CG MET A 1 1.930 3.108 -0.553 1.00 0.34 C ATOM 7 SD MET A 1 0.704 3.057 -1.874 1.00 11.13 S ATOM 8 CE MET A 1 -0.816 3.115 -0.928 1.00 22.24 C ATOM 0 H1 MET A 1 0.552 0.775 0.144 1.00 74.54 H new ATOM 0 H2 MET A 1 1.465 -0.508 0.777 1.00 74.54 H new ATOM 0 H3 MET A 1 1.801 1.087 1.252 1.00 74.54 H new ATOM 0 HA MET A 1 1.914 0.394 -1.568 1.00 71.54 H new ATOM 0 HB2 MET A 1 3.741 2.163 0.085 1.00 33.31 H new ATOM 0 HB3 MET A 1 3.511 2.176 -1.653 1.00 33.31 H new ATOM 0 HG2 MET A 1 1.429 2.985 0.407 1.00 0.34 H new ATOM 0 HG3 MET A 1 2.405 4.089 -0.541 1.00 0.34 H new ATOM 0 HE1 MET A 1 -1.636 3.427 -1.575 1.00 22.24 H new ATOM 0 HE2 MET A 1 -1.030 2.126 -0.522 1.00 22.24 H new ATOM 0 HE3 MET A 1 -0.708 3.827 -0.110 1.00 22.24 H new ATOM 18 N LYS A 2 3.268 -1.670 -0.600 1.00 31.52 N ATOM 19 CA LYS A 2 4.270 -2.723 -0.479 1.00 74.13 C ATOM 20 C LYS A 2 4.402 -3.500 -1.785 1.00 60.21 C ATOM 21 O LYS A 2 3.448 -3.606 -2.557 1.00 2.21 O ATOM 22 CB LYS A 2 3.902 -3.677 0.659 1.00 21.34 C ATOM 23 CG LYS A 2 2.575 -4.388 0.453 1.00 4.44 C ATOM 24 CD LYS A 2 1.960 -4.815 1.776 1.00 45.24 C ATOM 25 CE LYS A 2 0.778 -5.748 1.565 1.00 52.33 C ATOM 26 NZ LYS A 2 -0.439 -5.010 1.125 1.00 62.34 N ATOM 0 H LYS A 2 2.321 -2.007 -0.770 1.00 31.52 H new ATOM 0 HA LYS A 2 5.229 -2.254 -0.256 1.00 74.13 H new ATOM 0 HB2 LYS A 2 4.691 -4.422 0.767 1.00 21.34 H new ATOM 0 HB3 LYS A 2 3.863 -3.117 1.593 1.00 21.34 H new ATOM 0 HG2 LYS A 2 1.886 -3.728 -0.074 1.00 4.44 H new ATOM 0 HG3 LYS A 2 2.724 -5.263 -0.179 1.00 4.44 H new ATOM 0 HD2 LYS A 2 2.714 -5.313 2.385 1.00 45.24 H new ATOM 0 HD3 LYS A 2 1.635 -3.934 2.329 1.00 45.24 H new ATOM 0 HE2 LYS A 2 1.037 -6.499 0.819 1.00 52.33 H new ATOM 0 HE3 LYS A 2 0.565 -6.280 2.492 1.00 52.33 H new ATOM 0 HZ1 LYS A 2 -1.223 -5.681 0.992 1.00 62.34 H new ATOM 0 HZ2 LYS A 2 -0.701 -4.310 1.848 1.00 62.34 H new ATOM 0 HZ3 LYS A 2 -0.244 -4.523 0.227 1.00 62.34 H new ATOM 40 N THR A 3 5.591 -4.045 -2.027 1.00 14.33 N ATOM 41 CA THR A 3 5.848 -4.812 -3.239 1.00 35.55 C ATOM 42 C THR A 3 6.675 -6.057 -2.936 1.00 52.41 C ATOM 43 O THR A 3 7.352 -6.130 -1.910 1.00 74.23 O ATOM 44 CB THR A 3 6.582 -3.966 -4.295 1.00 1.31 C ATOM 45 OG1 THR A 3 6.932 -4.780 -5.419 1.00 75.44 O ATOM 46 CG2 THR A 3 7.837 -3.338 -3.708 1.00 1.42 C ATOM 0 H THR A 3 6.391 -3.969 -1.399 1.00 14.33 H new ATOM 0 HA THR A 3 4.878 -5.111 -3.636 1.00 35.55 H new ATOM 0 HB THR A 3 5.912 -3.169 -4.619 1.00 1.31 H new ATOM 0 HG1 THR A 3 7.397 -4.234 -6.087 1.00 75.44 H new ATOM 0 HG21 THR A 3 8.339 -2.745 -4.473 1.00 1.42 H new ATOM 0 HG22 THR A 3 7.565 -2.695 -2.871 1.00 1.42 H new ATOM 0 HG23 THR A 3 8.508 -4.123 -3.359 1.00 1.42 H new ATOM 54 N PHE A 4 6.617 -7.033 -3.836 1.00 32.13 N ATOM 55 CA PHE A 4 7.361 -8.275 -3.665 1.00 22.44 C ATOM 56 C PHE A 4 8.840 -8.072 -3.983 1.00 14.25 C ATOM 57 O PHE A 4 9.192 -7.338 -4.906 1.00 14.15 O ATOM 58 CB PHE A 4 6.781 -9.370 -4.562 1.00 71.23 C ATOM 59 CG PHE A 4 5.283 -9.459 -4.507 1.00 54.13 C ATOM 60 CD1 PHE A 4 4.624 -9.540 -3.291 1.00 23.22 C ATOM 61 CD2 PHE A 4 4.532 -9.462 -5.672 1.00 43.42 C ATOM 62 CE1 PHE A 4 3.246 -9.622 -3.237 1.00 14.44 C ATOM 63 CE2 PHE A 4 3.153 -9.542 -5.624 1.00 65.42 C ATOM 64 CZ PHE A 4 2.509 -9.624 -4.405 1.00 43.31 C ATOM 0 H PHE A 4 6.063 -6.988 -4.691 1.00 32.13 H new ATOM 0 HA PHE A 4 7.270 -8.582 -2.623 1.00 22.44 H new ATOM 0 HB2 PHE A 4 7.088 -9.186 -5.591 1.00 71.23 H new ATOM 0 HB3 PHE A 4 7.205 -10.331 -4.270 1.00 71.23 H new ATOM 0 HD1 PHE A 4 5.195 -9.539 -2.374 1.00 23.22 H new ATOM 0 HD2 PHE A 4 5.030 -9.401 -6.628 1.00 43.42 H new ATOM 0 HE1 PHE A 4 2.745 -9.684 -2.282 1.00 14.44 H new ATOM 0 HE2 PHE A 4 2.579 -9.540 -6.539 1.00 65.42 H new ATOM 0 HZ PHE A 4 1.432 -9.690 -4.365 1.00 43.31 H new ATOM 74 N ALA A 5 9.700 -8.727 -3.210 1.00 44.33 N ATOM 75 CA ALA A 5 11.140 -8.619 -3.410 1.00 23.43 C ATOM 76 C ALA A 5 11.624 -9.610 -4.464 1.00 11.52 C ATOM 77 O ALA A 5 10.995 -10.643 -4.695 1.00 14.02 O ATOM 78 CB ALA A 5 11.873 -8.845 -2.096 1.00 3.25 C ATOM 0 H ALA A 5 9.425 -9.337 -2.440 1.00 44.33 H new ATOM 0 HA ALA A 5 11.358 -7.613 -3.768 1.00 23.43 H new ATOM 0 HB1 ALA A 5 12.947 -8.762 -2.260 1.00 3.25 H new ATOM 0 HB2 ALA A 5 11.557 -8.096 -1.370 1.00 3.25 H new ATOM 0 HB3 ALA A 5 11.640 -9.840 -1.716 1.00 3.25 H new ATOM 84 N LEU A 6 12.744 -9.288 -5.101 1.00 51.54 N ATOM 85 CA LEU A 6 13.312 -10.149 -6.133 1.00 0.14 C ATOM 86 C LEU A 6 14.832 -10.025 -6.169 1.00 72.11 C ATOM 87 O LEU A 6 15.425 -9.311 -5.361 1.00 71.01 O ATOM 88 CB LEU A 6 12.727 -9.794 -7.501 1.00 11.03 C ATOM 89 CG LEU A 6 11.209 -9.918 -7.634 1.00 53.10 C ATOM 90 CD1 LEU A 6 10.728 -9.243 -8.909 1.00 40.22 C ATOM 91 CD2 LEU A 6 10.789 -11.380 -7.612 1.00 20.42 C ATOM 0 H LEU A 6 13.277 -8.437 -4.921 1.00 51.54 H new ATOM 0 HA LEU A 6 13.055 -11.181 -5.892 1.00 0.14 H new ATOM 0 HB2 LEU A 6 13.010 -8.769 -7.740 1.00 11.03 H new ATOM 0 HB3 LEU A 6 13.191 -10.436 -8.250 1.00 11.03 H new ATOM 0 HG LEU A 6 10.747 -9.415 -6.784 1.00 53.10 H new ATOM 0 HD11 LEU A 6 9.645 -9.341 -8.987 1.00 40.22 H new ATOM 0 HD12 LEU A 6 10.995 -8.187 -8.885 1.00 40.22 H new ATOM 0 HD13 LEU A 6 11.198 -9.716 -9.771 1.00 40.22 H new ATOM 0 HD21 LEU A 6 9.705 -11.449 -7.708 1.00 20.42 H new ATOM 0 HD22 LEU A 6 11.261 -11.907 -8.442 1.00 20.42 H new ATOM 0 HD23 LEU A 6 11.100 -11.834 -6.671 1.00 20.42 H new ATOM 103 N GLN A 7 15.455 -10.724 -7.113 1.00 12.52 N ATOM 104 CA GLN A 7 16.906 -10.690 -7.255 1.00 54.11 C ATOM 105 C GLN A 7 17.410 -9.254 -7.356 1.00 74.12 C ATOM 106 O GLN A 7 16.971 -8.491 -8.215 1.00 54.52 O ATOM 107 CB GLN A 7 17.336 -11.482 -8.490 1.00 65.45 C ATOM 108 CG GLN A 7 18.779 -11.958 -8.435 1.00 62.15 C ATOM 109 CD GLN A 7 19.094 -12.991 -9.500 1.00 2.15 C ATOM 110 OE1 GLN A 7 19.433 -12.648 -10.633 1.00 25.34 O ATOM 111 NE2 GLN A 7 18.984 -14.264 -9.140 1.00 33.41 N ATOM 0 H GLN A 7 14.978 -11.320 -7.790 1.00 12.52 H new ATOM 0 HA GLN A 7 17.344 -11.147 -6.368 1.00 54.11 H new ATOM 0 HB2 GLN A 7 16.681 -12.346 -8.604 1.00 65.45 H new ATOM 0 HB3 GLN A 7 17.200 -10.861 -9.375 1.00 65.45 H new ATOM 0 HG2 GLN A 7 19.444 -11.103 -8.555 1.00 62.15 H new ATOM 0 HG3 GLN A 7 18.980 -12.383 -7.452 1.00 62.15 H new ATOM 0 HE21 GLN A 7 18.700 -14.503 -8.190 1.00 33.41 H new ATOM 0 HE22 GLN A 7 19.184 -15.004 -9.814 1.00 33.41 H new ATOM 120 N GLY A 8 18.335 -8.893 -6.472 1.00 15.21 N ATOM 121 CA GLY A 8 18.883 -7.549 -6.479 1.00 35.14 C ATOM 122 C GLY A 8 17.823 -6.490 -6.250 1.00 11.34 C ATOM 123 O GLY A 8 18.015 -5.324 -6.597 1.00 23.32 O ATOM 0 H GLY A 8 18.715 -9.507 -5.751 1.00 15.21 H new ATOM 0 HA2 GLY A 8 19.647 -7.467 -5.706 1.00 35.14 H new ATOM 0 HA3 GLY A 8 19.375 -7.366 -7.434 1.00 35.14 H new ATOM 127 N ASP A 9 16.701 -6.894 -5.665 1.00 73.42 N ATOM 128 CA ASP A 9 15.606 -5.971 -5.391 1.00 34.32 C ATOM 129 C ASP A 9 15.327 -5.889 -3.893 1.00 54.12 C ATOM 130 O ASP A 9 14.213 -5.572 -3.474 1.00 72.12 O ATOM 131 CB ASP A 9 14.343 -6.409 -6.134 1.00 73.31 C ATOM 132 CG ASP A 9 14.312 -5.913 -7.566 1.00 42.22 C ATOM 133 OD1 ASP A 9 14.677 -4.741 -7.795 1.00 40.13 O ATOM 134 OD2 ASP A 9 13.923 -6.696 -8.458 1.00 13.11 O ATOM 0 H ASP A 9 16.526 -7.855 -5.371 1.00 73.42 H new ATOM 0 HA ASP A 9 15.900 -4.982 -5.743 1.00 34.32 H new ATOM 0 HB2 ASP A 9 14.281 -7.497 -6.128 1.00 73.31 H new ATOM 0 HB3 ASP A 9 13.466 -6.037 -5.605 1.00 73.31 H new ATOM 139 N THR A 10 16.346 -6.177 -3.090 1.00 32.33 N ATOM 140 CA THR A 10 16.210 -6.138 -1.639 1.00 62.32 C ATOM 141 C THR A 10 16.091 -4.704 -1.136 1.00 62.15 C ATOM 142 O THR A 10 16.143 -3.755 -1.919 1.00 51.44 O ATOM 143 CB THR A 10 17.406 -6.816 -0.945 1.00 25.03 C ATOM 144 OG1 THR A 10 18.513 -5.910 -0.881 1.00 5.03 O ATOM 145 CG2 THR A 10 17.820 -8.078 -1.687 1.00 54.23 C ATOM 0 H THR A 10 17.275 -6.440 -3.420 1.00 32.33 H new ATOM 0 HA THR A 10 15.299 -6.683 -1.392 1.00 62.32 H new ATOM 0 HB THR A 10 17.102 -7.091 0.065 1.00 25.03 H new ATOM 0 HG1 THR A 10 19.269 -6.348 -0.437 1.00 5.03 H new ATOM 0 HG21 THR A 10 18.666 -8.539 -1.177 1.00 54.23 H new ATOM 0 HG22 THR A 10 16.985 -8.778 -1.708 1.00 54.23 H new ATOM 0 HG23 THR A 10 18.106 -7.823 -2.707 1.00 54.23 H new ATOM 153 N LEU A 11 15.932 -4.553 0.174 1.00 42.34 N ATOM 154 CA LEU A 11 15.807 -3.233 0.782 1.00 54.43 C ATOM 155 C LEU A 11 16.928 -2.310 0.316 1.00 2.31 C ATOM 156 O LEU A 11 16.700 -1.133 0.033 1.00 64.42 O ATOM 157 CB LEU A 11 15.826 -3.348 2.307 1.00 54.01 C ATOM 158 CG LEU A 11 14.802 -4.304 2.921 1.00 52.35 C ATOM 159 CD1 LEU A 11 14.930 -4.323 4.436 1.00 44.43 C ATOM 160 CD2 LEU A 11 13.391 -3.910 2.508 1.00 31.30 C ATOM 0 H LEU A 11 15.887 -5.328 0.836 1.00 42.34 H new ATOM 0 HA LEU A 11 14.855 -2.805 0.468 1.00 54.43 H new ATOM 0 HB2 LEU A 11 16.822 -3.667 2.615 1.00 54.01 H new ATOM 0 HB3 LEU A 11 15.665 -2.356 2.728 1.00 54.01 H new ATOM 0 HG LEU A 11 15.002 -5.308 2.548 1.00 52.35 H new ATOM 0 HD11 LEU A 11 14.193 -5.009 4.855 1.00 44.43 H new ATOM 0 HD12 LEU A 11 15.931 -4.653 4.712 1.00 44.43 H new ATOM 0 HD13 LEU A 11 14.757 -3.321 4.828 1.00 44.43 H new ATOM 0 HD21 LEU A 11 12.675 -4.601 2.954 1.00 31.30 H new ATOM 0 HD22 LEU A 11 13.181 -2.897 2.852 1.00 31.30 H new ATOM 0 HD23 LEU A 11 13.305 -3.949 1.422 1.00 31.30 H new ATOM 172 N ASP A 12 18.139 -2.851 0.237 1.00 34.44 N ATOM 173 CA ASP A 12 19.296 -2.078 -0.197 1.00 52.43 C ATOM 174 C ASP A 12 19.047 -1.449 -1.565 1.00 34.12 C ATOM 175 O ASP A 12 19.501 -0.339 -1.841 1.00 22.41 O ATOM 176 CB ASP A 12 20.540 -2.966 -0.249 1.00 53.05 C ATOM 177 CG ASP A 12 21.043 -3.338 1.131 1.00 25.40 C ATOM 178 OD1 ASP A 12 21.716 -2.498 1.763 1.00 2.24 O ATOM 179 OD2 ASP A 12 20.766 -4.471 1.579 1.00 52.12 O ATOM 0 H ASP A 12 18.344 -3.823 0.468 1.00 34.44 H new ATOM 0 HA ASP A 12 19.460 -1.279 0.526 1.00 52.43 H new ATOM 0 HB2 ASP A 12 20.311 -3.874 -0.806 1.00 53.05 H new ATOM 0 HB3 ASP A 12 21.330 -2.448 -0.793 1.00 53.05 H new ATOM 184 N ALA A 13 18.323 -2.167 -2.417 1.00 55.02 N ATOM 185 CA ALA A 13 18.012 -1.679 -3.755 1.00 63.43 C ATOM 186 C ALA A 13 16.745 -0.831 -3.750 1.00 42.14 C ATOM 187 O ALA A 13 16.750 0.310 -4.213 1.00 14.31 O ATOM 188 CB ALA A 13 17.865 -2.846 -4.721 1.00 51.21 C ATOM 0 H ALA A 13 17.941 -3.089 -2.205 1.00 55.02 H new ATOM 0 HA ALA A 13 18.837 -1.049 -4.086 1.00 63.43 H new ATOM 0 HB1 ALA A 13 17.633 -2.467 -5.716 1.00 51.21 H new ATOM 0 HB2 ALA A 13 18.797 -3.409 -4.755 1.00 51.21 H new ATOM 0 HB3 ALA A 13 17.059 -3.498 -4.384 1.00 51.21 H new ATOM 194 N ILE A 14 15.663 -1.395 -3.226 1.00 31.33 N ATOM 195 CA ILE A 14 14.389 -0.690 -3.161 1.00 1.41 C ATOM 196 C ILE A 14 14.555 0.686 -2.525 1.00 12.32 C ATOM 197 O ILE A 14 14.043 1.683 -3.035 1.00 54.24 O ATOM 198 CB ILE A 14 13.343 -1.489 -2.363 1.00 35.24 C ATOM 199 CG1 ILE A 14 13.122 -2.862 -3.001 1.00 25.44 C ATOM 200 CG2 ILE A 14 12.033 -0.719 -2.286 1.00 51.30 C ATOM 201 CD1 ILE A 14 12.351 -3.821 -2.121 1.00 3.04 C ATOM 0 H ILE A 14 15.643 -2.339 -2.840 1.00 31.33 H new ATOM 0 HA ILE A 14 14.040 -0.574 -4.187 1.00 1.41 H new ATOM 0 HB ILE A 14 13.716 -1.635 -1.349 1.00 35.24 H new ATOM 0 HG12 ILE A 14 12.586 -2.734 -3.942 1.00 25.44 H new ATOM 0 HG13 ILE A 14 14.090 -3.301 -3.242 1.00 25.44 H new ATOM 0 HG21 ILE A 14 11.304 -1.297 -1.719 1.00 51.30 H new ATOM 0 HG22 ILE A 14 12.202 0.238 -1.791 1.00 51.30 H new ATOM 0 HG23 ILE A 14 11.654 -0.545 -3.293 1.00 51.30 H new ATOM 0 HD11 ILE A 14 12.232 -4.773 -2.638 1.00 3.04 H new ATOM 0 HD12 ILE A 14 12.896 -3.979 -1.190 1.00 3.04 H new ATOM 0 HD13 ILE A 14 11.369 -3.403 -1.900 1.00 3.04 H new ATOM 213 N CYS A 15 15.274 0.733 -1.409 1.00 43.33 N ATOM 214 CA CYS A 15 15.509 1.988 -0.703 1.00 61.11 C ATOM 215 C CYS A 15 16.189 3.005 -1.614 1.00 12.44 C ATOM 216 O CYS A 15 16.032 4.214 -1.438 1.00 24.33 O ATOM 217 CB CYS A 15 16.366 1.745 0.540 1.00 63.11 C ATOM 218 SG CYS A 15 15.472 0.989 1.917 1.00 14.24 S ATOM 0 H CYS A 15 15.704 -0.083 -0.974 1.00 43.33 H new ATOM 0 HA CYS A 15 14.544 2.390 -0.396 1.00 61.11 H new ATOM 0 HB2 CYS A 15 17.205 1.104 0.270 1.00 63.11 H new ATOM 0 HB3 CYS A 15 16.785 2.695 0.871 1.00 63.11 H new ATOM 0 HG CYS A 15 15.536 -0.306 1.817 1.00 14.24 H new ATOM 224 N VAL A 16 16.946 2.508 -2.587 1.00 14.32 N ATOM 225 CA VAL A 16 17.650 3.374 -3.525 1.00 63.30 C ATOM 226 C VAL A 16 16.761 3.742 -4.707 1.00 61.45 C ATOM 227 O VAL A 16 16.902 4.816 -5.292 1.00 74.23 O ATOM 228 CB VAL A 16 18.934 2.704 -4.051 1.00 11.02 C ATOM 229 CG1 VAL A 16 19.622 3.597 -5.072 1.00 61.32 C ATOM 230 CG2 VAL A 16 19.872 2.375 -2.900 1.00 24.12 C ATOM 0 H VAL A 16 17.087 1.510 -2.746 1.00 14.32 H new ATOM 0 HA VAL A 16 17.918 4.279 -2.980 1.00 63.30 H new ATOM 0 HB VAL A 16 18.661 1.772 -4.545 1.00 11.02 H new ATOM 0 HG11 VAL A 16 20.527 3.108 -5.432 1.00 61.32 H new ATOM 0 HG12 VAL A 16 18.949 3.777 -5.910 1.00 61.32 H new ATOM 0 HG13 VAL A 16 19.884 4.547 -4.606 1.00 61.32 H new ATOM 0 HG21 VAL A 16 20.774 1.902 -3.289 1.00 24.12 H new ATOM 0 HG22 VAL A 16 20.140 3.292 -2.376 1.00 24.12 H new ATOM 0 HG23 VAL A 16 19.375 1.694 -2.209 1.00 24.12 H new ATOM 240 N ARG A 17 15.845 2.843 -5.054 1.00 42.11 N ATOM 241 CA ARG A 17 14.933 3.073 -6.168 1.00 32.22 C ATOM 242 C ARG A 17 13.707 3.860 -5.713 1.00 43.10 C ATOM 243 O ARG A 17 12.926 4.341 -6.534 1.00 70.02 O ATOM 244 CB ARG A 17 14.498 1.741 -6.781 1.00 73.25 C ATOM 245 CG ARG A 17 13.231 1.171 -6.164 1.00 63.41 C ATOM 246 CD ARG A 17 12.901 -0.199 -6.735 1.00 60.54 C ATOM 247 NE ARG A 17 11.467 -0.474 -6.705 1.00 30.00 N ATOM 248 CZ ARG A 17 10.949 -1.691 -6.826 1.00 20.34 C ATOM 249 NH1 ARG A 17 11.744 -2.741 -6.983 1.00 53.24 N ATOM 250 NH2 ARG A 17 9.634 -1.861 -6.788 1.00 15.41 N ATOM 0 H ARG A 17 15.715 1.949 -4.580 1.00 42.11 H new ATOM 0 HA ARG A 17 15.460 3.658 -6.922 1.00 32.22 H new ATOM 0 HB2 ARG A 17 14.341 1.877 -7.851 1.00 73.25 H new ATOM 0 HB3 ARG A 17 15.305 1.017 -6.667 1.00 73.25 H new ATOM 0 HG2 ARG A 17 13.353 1.096 -5.083 1.00 63.41 H new ATOM 0 HG3 ARG A 17 12.399 1.852 -6.345 1.00 63.41 H new ATOM 0 HD2 ARG A 17 13.260 -0.260 -7.762 1.00 60.54 H new ATOM 0 HD3 ARG A 17 13.429 -0.965 -6.167 1.00 60.54 H new ATOM 0 HE ARG A 17 10.828 0.312 -6.584 1.00 30.00 H new ATOM 0 HH11 ARG A 17 12.756 -2.615 -7.011 1.00 53.24 H new ATOM 0 HH12 ARG A 17 11.344 -3.675 -7.076 1.00 53.24 H new ATOM 0 HH21 ARG A 17 9.019 -1.056 -6.666 1.00 15.41 H new ATOM 0 HH22 ARG A 17 9.238 -2.796 -6.881 1.00 15.41 H new ATOM 264 N TYR A 18 13.546 3.987 -4.401 1.00 33.23 N ATOM 265 CA TYR A 18 12.414 4.713 -3.837 1.00 20.24 C ATOM 266 C TYR A 18 12.862 6.045 -3.243 1.00 65.21 C ATOM 267 O TYR A 18 12.436 7.111 -3.688 1.00 65.24 O ATOM 268 CB TYR A 18 11.724 3.870 -2.763 1.00 24.43 C ATOM 269 CG TYR A 18 10.531 3.095 -3.275 1.00 22.03 C ATOM 270 CD1 TYR A 18 10.678 1.810 -3.783 1.00 12.32 C ATOM 271 CD2 TYR A 18 9.257 3.648 -3.249 1.00 74.23 C ATOM 272 CE1 TYR A 18 9.590 1.099 -4.252 1.00 44.43 C ATOM 273 CE2 TYR A 18 8.163 2.944 -3.715 1.00 62.34 C ATOM 274 CZ TYR A 18 8.335 1.670 -4.216 1.00 43.23 C ATOM 275 OH TYR A 18 7.249 0.965 -4.682 1.00 23.32 O ATOM 0 H TYR A 18 14.185 3.597 -3.708 1.00 33.23 H new ATOM 0 HA TYR A 18 11.707 4.914 -4.642 1.00 20.24 H new ATOM 0 HB2 TYR A 18 12.447 3.171 -2.342 1.00 24.43 H new ATOM 0 HB3 TYR A 18 11.402 4.523 -1.952 1.00 24.43 H new ATOM 0 HD1 TYR A 18 11.659 1.359 -3.812 1.00 12.32 H new ATOM 0 HD2 TYR A 18 9.119 4.645 -2.858 1.00 74.23 H new ATOM 0 HE1 TYR A 18 9.722 0.102 -4.645 1.00 44.43 H new ATOM 0 HE2 TYR A 18 7.179 3.388 -3.687 1.00 62.34 H new ATOM 0 HH TYR A 18 6.440 1.509 -4.585 1.00 23.32 H new ATOM 285 N TYR A 19 13.725 5.975 -2.236 1.00 5.33 N ATOM 286 CA TYR A 19 14.232 7.174 -1.579 1.00 14.53 C ATOM 287 C TYR A 19 15.558 7.613 -2.192 1.00 30.02 C ATOM 288 O TYR A 19 15.837 8.805 -2.309 1.00 10.54 O ATOM 289 CB TYR A 19 14.408 6.925 -0.080 1.00 34.50 C ATOM 290 CG TYR A 19 13.256 6.173 0.548 1.00 72.20 C ATOM 291 CD1 TYR A 19 12.093 6.833 0.927 1.00 65.12 C ATOM 292 CD2 TYR A 19 13.330 4.802 0.762 1.00 73.35 C ATOM 293 CE1 TYR A 19 11.039 6.150 1.501 1.00 2.05 C ATOM 294 CE2 TYR A 19 12.280 4.110 1.334 1.00 13.43 C ATOM 295 CZ TYR A 19 11.137 4.789 1.703 1.00 71.01 C ATOM 296 OH TYR A 19 10.088 4.105 2.274 1.00 62.12 O ATOM 0 H TYR A 19 14.088 5.101 -1.857 1.00 5.33 H new ATOM 0 HA TYR A 19 13.504 7.972 -1.725 1.00 14.53 H new ATOM 0 HB2 TYR A 19 15.328 6.364 0.081 1.00 34.50 H new ATOM 0 HB3 TYR A 19 14.526 7.882 0.428 1.00 34.50 H new ATOM 0 HD1 TYR A 19 12.012 7.898 0.770 1.00 65.12 H new ATOM 0 HD2 TYR A 19 14.224 4.268 0.476 1.00 73.35 H new ATOM 0 HE1 TYR A 19 10.143 6.679 1.790 1.00 2.05 H new ATOM 0 HE2 TYR A 19 12.353 3.044 1.491 1.00 13.43 H new ATOM 0 HH TYR A 19 9.585 4.708 2.860 1.00 62.12 H new ATOM 306 N GLY A 20 16.373 6.638 -2.583 1.00 31.20 N ATOM 307 CA GLY A 20 17.660 6.942 -3.180 1.00 63.40 C ATOM 308 C GLY A 20 18.783 6.956 -2.162 1.00 31.24 C ATOM 309 O GLY A 20 19.823 7.576 -2.383 1.00 11.31 O ATOM 0 H GLY A 20 16.165 5.643 -2.497 1.00 31.20 H new ATOM 0 HA2 GLY A 20 17.882 6.205 -3.951 1.00 63.40 H new ATOM 0 HA3 GLY A 20 17.608 7.913 -3.673 1.00 63.40 H new ATOM 313 N ARG A 21 18.572 6.272 -1.042 1.00 25.22 N ATOM 314 CA ARG A 21 19.574 6.211 0.016 1.00 61.32 C ATOM 315 C ARG A 21 19.247 5.102 1.011 1.00 34.34 C ATOM 316 O ARG A 21 18.095 4.683 1.135 1.00 20.02 O ATOM 317 CB ARG A 21 19.662 7.554 0.743 1.00 74.12 C ATOM 318 CG ARG A 21 18.362 7.969 1.414 1.00 44.14 C ATOM 319 CD ARG A 21 17.436 8.681 0.440 1.00 12.14 C ATOM 320 NE ARG A 21 16.614 9.689 1.105 1.00 34.42 N ATOM 321 CZ ARG A 21 17.071 10.876 1.487 1.00 64.23 C ATOM 322 NH1 ARG A 21 18.338 11.203 1.270 1.00 31.50 N ATOM 323 NH2 ARG A 21 16.261 11.739 2.086 1.00 44.20 N ATOM 0 H ARG A 21 17.717 5.753 -0.844 1.00 25.22 H new ATOM 0 HA ARG A 21 20.538 5.991 -0.443 1.00 61.32 H new ATOM 0 HB2 ARG A 21 20.448 7.499 1.496 1.00 74.12 H new ATOM 0 HB3 ARG A 21 19.956 8.325 0.031 1.00 74.12 H new ATOM 0 HG2 ARG A 21 17.861 7.088 1.816 1.00 44.14 H new ATOM 0 HG3 ARG A 21 18.579 8.625 2.257 1.00 44.14 H new ATOM 0 HD2 ARG A 21 18.028 9.155 -0.343 1.00 12.14 H new ATOM 0 HD3 ARG A 21 16.790 7.950 -0.047 1.00 12.14 H new ATOM 0 HE ARG A 21 15.635 9.469 1.286 1.00 34.42 H new ATOM 0 HH11 ARG A 21 18.963 10.542 0.809 1.00 31.50 H new ATOM 0 HH12 ARG A 21 18.687 12.115 1.564 1.00 31.50 H new ATOM 0 HH21 ARG A 21 15.286 11.491 2.254 1.00 44.20 H new ATOM 0 HH22 ARG A 21 16.613 12.650 2.379 1.00 44.20 H new ATOM 337 N THR A 22 20.267 4.629 1.720 1.00 64.22 N ATOM 338 CA THR A 22 20.089 3.568 2.703 1.00 61.21 C ATOM 339 C THR A 22 20.346 4.079 4.116 1.00 34.20 C ATOM 340 O THR A 22 19.835 3.524 5.088 1.00 21.42 O ATOM 341 CB THR A 22 21.026 2.378 2.422 1.00 70.05 C ATOM 342 OG1 THR A 22 22.305 2.854 1.989 1.00 64.54 O ATOM 343 CG2 THR A 22 20.434 1.462 1.361 1.00 41.33 C ATOM 0 H THR A 22 21.226 4.965 1.631 1.00 64.22 H new ATOM 0 HA THR A 22 19.055 3.233 2.622 1.00 61.21 H new ATOM 0 HB THR A 22 21.143 1.810 3.345 1.00 70.05 H new ATOM 0 HG1 THR A 22 22.896 2.092 1.814 1.00 64.54 H new ATOM 0 HG21 THR A 22 21.113 0.629 1.179 1.00 41.33 H new ATOM 0 HG22 THR A 22 19.474 1.079 1.706 1.00 41.33 H new ATOM 0 HG23 THR A 22 20.290 2.021 0.437 1.00 41.33 H new ATOM 351 N GLU A 23 21.139 5.140 4.222 1.00 42.13 N ATOM 352 CA GLU A 23 21.463 5.725 5.518 1.00 53.14 C ATOM 353 C GLU A 23 20.246 6.422 6.119 1.00 54.31 C ATOM 354 O GLU A 23 19.774 7.431 5.597 1.00 52.41 O ATOM 355 CB GLU A 23 22.617 6.720 5.379 1.00 22.32 C ATOM 356 CG GLU A 23 23.284 7.066 6.700 1.00 51.01 C ATOM 357 CD GLU A 23 24.556 7.870 6.518 1.00 45.12 C ATOM 358 OE1 GLU A 23 25.374 7.500 5.650 1.00 61.41 O ATOM 359 OE2 GLU A 23 24.734 8.871 7.244 1.00 62.21 O ATOM 0 H GLU A 23 21.569 5.612 3.427 1.00 42.13 H new ATOM 0 HA GLU A 23 21.766 4.919 6.186 1.00 53.14 H new ATOM 0 HB2 GLU A 23 23.364 6.305 4.702 1.00 22.32 H new ATOM 0 HB3 GLU A 23 22.243 7.635 4.919 1.00 22.32 H new ATOM 0 HG2 GLU A 23 22.586 7.632 7.318 1.00 51.01 H new ATOM 0 HG3 GLU A 23 23.514 6.147 7.239 1.00 51.01 H new ATOM 366 N GLY A 24 19.742 5.875 7.221 1.00 12.11 N ATOM 367 CA GLY A 24 18.584 6.456 7.875 1.00 1.23 C ATOM 368 C GLY A 24 17.281 5.847 7.397 1.00 21.11 C ATOM 369 O GLY A 24 16.258 5.939 8.076 1.00 23.40 O ATOM 0 H GLY A 24 20.115 5.040 7.673 1.00 12.11 H new ATOM 0 HA2 GLY A 24 18.672 6.318 8.953 1.00 1.23 H new ATOM 0 HA3 GLY A 24 18.568 7.530 7.692 1.00 1.23 H new ATOM 373 N VAL A 25 17.317 5.224 6.223 1.00 34.24 N ATOM 374 CA VAL A 25 16.129 4.597 5.654 1.00 4.42 C ATOM 375 C VAL A 25 16.055 3.121 6.027 1.00 14.13 C ATOM 376 O VAL A 25 14.996 2.618 6.404 1.00 62.41 O ATOM 377 CB VAL A 25 16.106 4.730 4.120 1.00 71.31 C ATOM 378 CG1 VAL A 25 14.788 4.217 3.560 1.00 60.24 C ATOM 379 CG2 VAL A 25 16.344 6.174 3.706 1.00 3.14 C ATOM 0 H VAL A 25 18.155 5.140 5.648 1.00 34.24 H new ATOM 0 HA VAL A 25 15.266 5.117 6.069 1.00 4.42 H new ATOM 0 HB VAL A 25 16.911 4.121 3.708 1.00 71.31 H new ATOM 0 HG11 VAL A 25 14.790 4.319 2.475 1.00 60.24 H new ATOM 0 HG12 VAL A 25 14.664 3.167 3.826 1.00 60.24 H new ATOM 0 HG13 VAL A 25 13.965 4.797 3.978 1.00 60.24 H new ATOM 0 HG21 VAL A 25 16.324 6.249 2.619 1.00 3.14 H new ATOM 0 HG22 VAL A 25 15.563 6.807 4.127 1.00 3.14 H new ATOM 0 HG23 VAL A 25 17.316 6.503 4.075 1.00 3.14 H new ATOM 389 N VAL A 26 17.186 2.431 5.921 1.00 52.34 N ATOM 390 CA VAL A 26 17.250 1.012 6.248 1.00 13.03 C ATOM 391 C VAL A 26 16.760 0.753 7.669 1.00 42.52 C ATOM 392 O VAL A 26 16.274 -0.333 7.979 1.00 34.14 O ATOM 393 CB VAL A 26 18.683 0.466 6.104 1.00 52.54 C ATOM 394 CG1 VAL A 26 19.129 0.515 4.650 1.00 13.42 C ATOM 395 CG2 VAL A 26 19.641 1.247 6.990 1.00 24.55 C ATOM 0 H VAL A 26 18.071 2.832 5.611 1.00 52.34 H new ATOM 0 HA VAL A 26 16.600 0.495 5.542 1.00 13.03 H new ATOM 0 HB VAL A 26 18.691 -0.575 6.427 1.00 52.54 H new ATOM 0 HG11 VAL A 26 20.144 0.125 4.567 1.00 13.42 H new ATOM 0 HG12 VAL A 26 18.457 -0.091 4.043 1.00 13.42 H new ATOM 0 HG13 VAL A 26 19.106 1.546 4.297 1.00 13.42 H new ATOM 0 HG21 VAL A 26 20.649 0.848 6.876 1.00 24.55 H new ATOM 0 HG22 VAL A 26 19.631 2.297 6.699 1.00 24.55 H new ATOM 0 HG23 VAL A 26 19.330 1.156 8.031 1.00 24.55 H new ATOM 405 N GLU A 27 16.892 1.760 8.527 1.00 45.21 N ATOM 406 CA GLU A 27 16.463 1.641 9.915 1.00 24.34 C ATOM 407 C GLU A 27 14.942 1.685 10.020 1.00 33.54 C ATOM 408 O GLU A 27 14.352 1.085 10.920 1.00 12.21 O ATOM 409 CB GLU A 27 17.076 2.760 10.760 1.00 62.11 C ATOM 410 CG GLU A 27 18.500 2.475 11.206 1.00 4.43 C ATOM 411 CD GLU A 27 18.560 1.661 12.484 1.00 14.33 C ATOM 412 OE1 GLU A 27 17.486 1.372 13.053 1.00 72.44 O ATOM 413 OE2 GLU A 27 19.679 1.314 12.916 1.00 14.31 O ATOM 0 H GLU A 27 17.292 2.666 8.285 1.00 45.21 H new ATOM 0 HA GLU A 27 16.809 0.679 10.294 1.00 24.34 H new ATOM 0 HB2 GLU A 27 17.063 3.686 10.186 1.00 62.11 H new ATOM 0 HB3 GLU A 27 16.454 2.922 11.640 1.00 62.11 H new ATOM 0 HG2 GLU A 27 19.024 1.940 10.414 1.00 4.43 H new ATOM 0 HG3 GLU A 27 19.025 3.418 11.356 1.00 4.43 H new ATOM 420 N THR A 28 14.311 2.399 9.094 1.00 53.32 N ATOM 421 CA THR A 28 12.859 2.524 9.082 1.00 73.21 C ATOM 422 C THR A 28 12.200 1.236 8.601 1.00 23.43 C ATOM 423 O THR A 28 11.451 0.596 9.340 1.00 41.30 O ATOM 424 CB THR A 28 12.402 3.687 8.182 1.00 51.23 C ATOM 425 OG1 THR A 28 13.417 4.696 8.132 1.00 61.23 O ATOM 426 CG2 THR A 28 11.104 4.292 8.696 1.00 61.23 C ATOM 0 H THR A 28 14.783 2.900 8.342 1.00 53.32 H new ATOM 0 HA THR A 28 12.551 2.726 10.108 1.00 73.21 H new ATOM 0 HB THR A 28 12.230 3.295 7.180 1.00 51.23 H new ATOM 0 HG1 THR A 28 13.119 5.431 7.556 1.00 61.23 H new ATOM 0 HG21 THR A 28 10.801 5.111 8.044 1.00 61.23 H new ATOM 0 HG22 THR A 28 10.326 3.529 8.705 1.00 61.23 H new ATOM 0 HG23 THR A 28 11.254 4.670 9.707 1.00 61.23 H new ATOM 434 N VAL A 29 12.485 0.859 7.359 1.00 61.32 N ATOM 435 CA VAL A 29 11.922 -0.355 6.780 1.00 72.10 C ATOM 436 C VAL A 29 12.206 -1.567 7.660 1.00 1.12 C ATOM 437 O VAL A 29 11.401 -2.497 7.735 1.00 45.43 O ATOM 438 CB VAL A 29 12.482 -0.616 5.369 1.00 32.41 C ATOM 439 CG1 VAL A 29 11.785 -1.808 4.730 1.00 23.33 C ATOM 440 CG2 VAL A 29 12.337 0.624 4.501 1.00 43.32 C ATOM 0 H VAL A 29 13.103 1.377 6.734 1.00 61.32 H new ATOM 0 HA VAL A 29 10.845 -0.203 6.713 1.00 72.10 H new ATOM 0 HB VAL A 29 13.543 -0.849 5.456 1.00 32.41 H new ATOM 0 HG11 VAL A 29 12.194 -1.977 3.734 1.00 23.33 H new ATOM 0 HG12 VAL A 29 11.945 -2.695 5.343 1.00 23.33 H new ATOM 0 HG13 VAL A 29 10.716 -1.607 4.654 1.00 23.33 H new ATOM 0 HG21 VAL A 29 12.738 0.422 3.508 1.00 43.32 H new ATOM 0 HG22 VAL A 29 11.283 0.890 4.420 1.00 43.32 H new ATOM 0 HG23 VAL A 29 12.886 1.450 4.952 1.00 43.32 H new ATOM 450 N LEU A 30 13.355 -1.551 8.326 1.00 4.42 N ATOM 451 CA LEU A 30 13.747 -2.649 9.203 1.00 10.54 C ATOM 452 C LEU A 30 12.799 -2.759 10.394 1.00 65.24 C ATOM 453 O LEU A 30 12.485 -3.858 10.849 1.00 31.30 O ATOM 454 CB LEU A 30 15.181 -2.447 9.696 1.00 62.33 C ATOM 455 CG LEU A 30 15.717 -3.511 10.655 1.00 62.04 C ATOM 456 CD1 LEU A 30 15.757 -4.871 9.975 1.00 10.10 C ATOM 457 CD2 LEU A 30 17.099 -3.125 11.161 1.00 64.02 C ATOM 0 H LEU A 30 14.032 -0.790 8.276 1.00 4.42 H new ATOM 0 HA LEU A 30 13.693 -3.575 8.631 1.00 10.54 H new ATOM 0 HB2 LEU A 30 15.839 -2.404 8.828 1.00 62.33 H new ATOM 0 HB3 LEU A 30 15.241 -1.477 10.191 1.00 62.33 H new ATOM 0 HG LEU A 30 15.044 -3.575 11.510 1.00 62.04 H new ATOM 0 HD11 LEU A 30 16.141 -5.615 10.673 1.00 10.10 H new ATOM 0 HD12 LEU A 30 14.751 -5.151 9.663 1.00 10.10 H new ATOM 0 HD13 LEU A 30 16.408 -4.822 9.102 1.00 10.10 H new ATOM 0 HD21 LEU A 30 17.465 -3.893 11.842 1.00 64.02 H new ATOM 0 HD22 LEU A 30 17.783 -3.033 10.317 1.00 64.02 H new ATOM 0 HD23 LEU A 30 17.041 -2.172 11.687 1.00 64.02 H new ATOM 469 N ALA A 31 12.346 -1.613 10.891 1.00 25.22 N ATOM 470 CA ALA A 31 11.431 -1.581 12.025 1.00 24.54 C ATOM 471 C ALA A 31 10.039 -2.052 11.620 1.00 32.55 C ATOM 472 O ALA A 31 9.300 -2.606 12.434 1.00 72.43 O ATOM 473 CB ALA A 31 11.367 -0.179 12.612 1.00 34.22 C ATOM 0 H ALA A 31 12.598 -0.694 10.526 1.00 25.22 H new ATOM 0 HA ALA A 31 11.810 -2.264 12.786 1.00 24.54 H new ATOM 0 HB1 ALA A 31 10.680 -0.170 13.458 1.00 34.22 H new ATOM 0 HB2 ALA A 31 12.360 0.121 12.948 1.00 34.22 H new ATOM 0 HB3 ALA A 31 11.015 0.518 11.851 1.00 34.22 H new ATOM 479 N ALA A 32 9.687 -1.828 10.359 1.00 53.22 N ATOM 480 CA ALA A 32 8.383 -2.231 9.846 1.00 1.41 C ATOM 481 C ALA A 32 8.382 -3.701 9.443 1.00 63.23 C ATOM 482 O ALA A 32 7.343 -4.359 9.463 1.00 62.31 O ATOM 483 CB ALA A 32 7.988 -1.357 8.665 1.00 74.01 C ATOM 0 H ALA A 32 10.287 -1.369 9.673 1.00 53.22 H new ATOM 0 HA ALA A 32 7.650 -2.100 10.642 1.00 1.41 H new ATOM 0 HB1 ALA A 32 7.012 -1.669 8.292 1.00 74.01 H new ATOM 0 HB2 ALA A 32 7.939 -0.316 8.983 1.00 74.01 H new ATOM 0 HB3 ALA A 32 8.729 -1.459 7.872 1.00 74.01 H new ATOM 489 N ASN A 33 9.554 -4.210 9.076 1.00 40.02 N ATOM 490 CA ASN A 33 9.688 -5.603 8.666 1.00 34.30 C ATOM 491 C ASN A 33 10.880 -6.261 9.354 1.00 43.41 C ATOM 492 O ASN A 33 11.915 -6.523 8.741 1.00 61.03 O ATOM 493 CB ASN A 33 9.845 -5.697 7.147 1.00 24.01 C ATOM 494 CG ASN A 33 8.513 -5.819 6.434 1.00 73.02 C ATOM 495 OD1 ASN A 33 7.716 -4.757 6.482 1.00 43.51 O flip ATOM 496 ND2 ASN A 33 8.203 -6.856 5.846 1.00 24.45 N flip ATOM 0 H ASN A 33 10.424 -3.678 9.054 1.00 40.02 H new ATOM 0 HA ASN A 33 8.783 -6.132 8.964 1.00 34.30 H new ATOM 0 HB2 ASN A 33 10.369 -4.813 6.783 1.00 24.01 H new ATOM 0 HB3 ASN A 33 10.466 -6.559 6.901 1.00 24.01 H new ATOM 0 HD21 ASN A 33 8.846 -7.648 5.835 1.00 24.45 H new ATOM 0 HD22 ASN A 33 7.303 -6.923 5.370 1.00 24.45 H new ATOM 503 N PRO A 34 10.734 -6.534 10.659 1.00 72.11 N ATOM 504 CA PRO A 34 11.788 -7.165 11.459 1.00 72.24 C ATOM 505 C PRO A 34 12.009 -8.625 11.077 1.00 4.12 C ATOM 506 O PRO A 34 11.057 -9.366 10.841 1.00 75.41 O ATOM 507 CB PRO A 34 11.257 -7.061 12.891 1.00 71.35 C ATOM 508 CG PRO A 34 9.777 -6.985 12.741 1.00 34.21 C ATOM 509 CD PRO A 34 9.528 -6.249 11.454 1.00 53.30 C ATOM 0 HA PRO A 34 12.755 -6.683 11.313 1.00 72.24 H new ATOM 0 HB2 PRO A 34 11.551 -7.926 13.486 1.00 71.35 H new ATOM 0 HB3 PRO A 34 11.650 -6.178 13.396 1.00 71.35 H new ATOM 0 HG2 PRO A 34 9.336 -7.981 12.712 1.00 34.21 H new ATOM 0 HG3 PRO A 34 9.326 -6.461 13.584 1.00 34.21 H new ATOM 0 HD2 PRO A 34 8.626 -6.604 10.956 1.00 53.30 H new ATOM 0 HD3 PRO A 34 9.400 -5.179 11.621 1.00 53.30 H new ATOM 517 N GLY A 35 13.274 -9.032 11.020 1.00 40.45 N ATOM 518 CA GLY A 35 13.597 -10.402 10.667 1.00 43.44 C ATOM 519 C GLY A 35 14.291 -10.506 9.323 1.00 40.11 C ATOM 520 O GLY A 35 15.027 -11.460 9.068 1.00 21.11 O ATOM 0 H GLY A 35 14.080 -8.437 11.212 1.00 40.45 H new ATOM 0 HA2 GLY A 35 14.238 -10.831 11.437 1.00 43.44 H new ATOM 0 HA3 GLY A 35 12.682 -10.994 10.647 1.00 43.44 H new ATOM 524 N LEU A 36 14.056 -9.524 8.460 1.00 52.12 N ATOM 525 CA LEU A 36 14.663 -9.510 7.133 1.00 15.52 C ATOM 526 C LEU A 36 16.183 -9.438 7.230 1.00 21.35 C ATOM 527 O LEU A 36 16.895 -10.092 6.469 1.00 31.30 O ATOM 528 CB LEU A 36 14.136 -8.324 6.323 1.00 51.13 C ATOM 529 CG LEU A 36 14.140 -8.495 4.803 1.00 0.22 C ATOM 530 CD1 LEU A 36 15.562 -8.655 4.288 1.00 71.20 C ATOM 531 CD2 LEU A 36 13.286 -9.688 4.398 1.00 3.33 C ATOM 0 H LEU A 36 13.450 -8.727 8.655 1.00 52.12 H new ATOM 0 HA LEU A 36 14.393 -10.437 6.627 1.00 15.52 H new ATOM 0 HB2 LEU A 36 13.115 -8.116 6.643 1.00 51.13 H new ATOM 0 HB3 LEU A 36 14.732 -7.446 6.571 1.00 51.13 H new ATOM 0 HG LEU A 36 13.712 -7.599 4.354 1.00 0.22 H new ATOM 0 HD11 LEU A 36 15.545 -8.775 3.205 1.00 71.20 H new ATOM 0 HD12 LEU A 36 16.144 -7.770 4.546 1.00 71.20 H new ATOM 0 HD13 LEU A 36 16.017 -9.534 4.744 1.00 71.20 H new ATOM 0 HD21 LEU A 36 13.301 -9.794 3.313 1.00 3.33 H new ATOM 0 HD22 LEU A 36 13.684 -10.593 4.857 1.00 3.33 H new ATOM 0 HD23 LEU A 36 12.261 -9.532 4.734 1.00 3.33 H new ATOM 543 N ALA A 37 16.674 -8.641 8.174 1.00 72.30 N ATOM 544 CA ALA A 37 18.109 -8.488 8.374 1.00 64.11 C ATOM 545 C ALA A 37 18.764 -9.826 8.699 1.00 23.24 C ATOM 546 O ALA A 37 19.944 -10.035 8.417 1.00 13.43 O ATOM 547 CB ALA A 37 18.384 -7.481 9.481 1.00 54.00 C ATOM 0 H ALA A 37 16.098 -8.092 8.812 1.00 72.30 H new ATOM 0 HA ALA A 37 18.542 -8.117 7.445 1.00 64.11 H new ATOM 0 HB1 ALA A 37 19.460 -7.377 9.619 1.00 54.00 H new ATOM 0 HB2 ALA A 37 17.958 -6.515 9.208 1.00 54.00 H new ATOM 0 HB3 ALA A 37 17.931 -7.828 10.410 1.00 54.00 H new ATOM 553 N GLU A 38 17.991 -10.729 9.295 1.00 42.10 N ATOM 554 CA GLU A 38 18.498 -12.046 9.660 1.00 64.52 C ATOM 555 C GLU A 38 18.658 -12.929 8.425 1.00 34.23 C ATOM 556 O GLU A 38 19.445 -13.876 8.423 1.00 61.45 O ATOM 557 CB GLU A 38 17.559 -12.719 10.663 1.00 4.15 C ATOM 558 CG GLU A 38 17.234 -11.852 11.868 1.00 2.12 C ATOM 559 CD GLU A 38 18.473 -11.261 12.513 1.00 30.33 C ATOM 560 OE1 GLU A 38 18.915 -10.181 12.069 1.00 14.31 O ATOM 561 OE2 GLU A 38 19.001 -11.879 13.461 1.00 33.14 O ATOM 0 H GLU A 38 17.012 -10.572 9.535 1.00 42.10 H new ATOM 0 HA GLU A 38 19.477 -11.915 10.121 1.00 64.52 H new ATOM 0 HB2 GLU A 38 16.631 -12.986 10.157 1.00 4.15 H new ATOM 0 HB3 GLU A 38 18.013 -13.648 11.006 1.00 4.15 H new ATOM 0 HG2 GLU A 38 16.569 -11.045 11.561 1.00 2.12 H new ATOM 0 HG3 GLU A 38 16.695 -12.448 12.604 1.00 2.12 H new ATOM 568 N LEU A 39 17.904 -12.612 7.378 1.00 63.51 N ATOM 569 CA LEU A 39 17.960 -13.376 6.136 1.00 23.33 C ATOM 570 C LEU A 39 19.397 -13.506 5.641 1.00 22.12 C ATOM 571 O LEU A 39 19.878 -14.608 5.382 1.00 71.35 O ATOM 572 CB LEU A 39 17.098 -12.708 5.064 1.00 32.11 C ATOM 573 CG LEU A 39 16.481 -13.641 4.021 1.00 2.02 C ATOM 574 CD1 LEU A 39 17.541 -14.560 3.434 1.00 41.11 C ATOM 575 CD2 LEU A 39 15.349 -14.453 4.634 1.00 4.54 C ATOM 0 H LEU A 39 17.247 -11.832 7.364 1.00 63.51 H new ATOM 0 HA LEU A 39 17.572 -14.375 6.335 1.00 23.33 H new ATOM 0 HB2 LEU A 39 16.292 -12.166 5.560 1.00 32.11 H new ATOM 0 HB3 LEU A 39 17.707 -11.968 4.545 1.00 32.11 H new ATOM 0 HG LEU A 39 16.070 -13.033 3.215 1.00 2.02 H new ATOM 0 HD11 LEU A 39 17.084 -15.217 2.694 1.00 41.11 H new ATOM 0 HD12 LEU A 39 18.318 -13.962 2.958 1.00 41.11 H new ATOM 0 HD13 LEU A 39 17.982 -15.161 4.229 1.00 41.11 H new ATOM 0 HD21 LEU A 39 14.922 -15.111 3.877 1.00 4.54 H new ATOM 0 HD22 LEU A 39 15.736 -15.051 5.459 1.00 4.54 H new ATOM 0 HD23 LEU A 39 14.577 -13.779 5.006 1.00 4.54 H new ATOM 587 N GLY A 40 20.079 -12.372 5.515 1.00 41.44 N ATOM 588 CA GLY A 40 21.455 -12.381 5.053 1.00 0.43 C ATOM 589 C GLY A 40 21.767 -11.213 4.138 1.00 24.14 C ATOM 590 O GLY A 40 21.453 -10.066 4.455 1.00 75.41 O ATOM 0 H GLY A 40 19.703 -11.447 5.725 1.00 41.44 H new ATOM 0 HA2 GLY A 40 22.124 -12.354 5.913 1.00 0.43 H new ATOM 0 HA3 GLY A 40 21.652 -13.314 4.526 1.00 0.43 H new ATOM 594 N ALA A 41 22.390 -11.505 3.001 1.00 1.31 N ATOM 595 CA ALA A 41 22.745 -10.470 2.038 1.00 60.25 C ATOM 596 C ALA A 41 21.590 -10.190 1.082 1.00 32.03 C ATOM 597 O ALA A 41 21.309 -9.038 0.753 1.00 42.44 O ATOM 598 CB ALA A 41 23.988 -10.877 1.260 1.00 3.14 C ATOM 0 H ALA A 41 22.659 -12.449 2.724 1.00 1.31 H new ATOM 0 HA ALA A 41 22.957 -9.554 2.589 1.00 60.25 H new ATOM 0 HB1 ALA A 41 24.242 -10.095 0.544 1.00 3.14 H new ATOM 0 HB2 ALA A 41 24.819 -11.020 1.951 1.00 3.14 H new ATOM 0 HB3 ALA A 41 23.795 -11.808 0.727 1.00 3.14 H new ATOM 604 N VAL A 42 20.923 -11.251 0.640 1.00 31.52 N ATOM 605 CA VAL A 42 19.797 -11.120 -0.277 1.00 44.53 C ATOM 606 C VAL A 42 18.565 -11.841 0.257 1.00 64.42 C ATOM 607 O VAL A 42 18.677 -12.859 0.941 1.00 33.43 O ATOM 608 CB VAL A 42 20.141 -11.677 -1.671 1.00 64.03 C ATOM 609 CG1 VAL A 42 20.248 -13.194 -1.629 1.00 13.23 C ATOM 610 CG2 VAL A 42 19.104 -11.236 -2.692 1.00 54.52 C ATOM 0 H VAL A 42 21.143 -12.212 0.902 1.00 31.52 H new ATOM 0 HA VAL A 42 19.581 -10.055 -0.362 1.00 44.53 H new ATOM 0 HB VAL A 42 21.109 -11.277 -1.974 1.00 64.03 H new ATOM 0 HG11 VAL A 42 20.492 -13.569 -2.623 1.00 13.23 H new ATOM 0 HG12 VAL A 42 21.032 -13.484 -0.929 1.00 13.23 H new ATOM 0 HG13 VAL A 42 19.297 -13.617 -1.304 1.00 13.23 H new ATOM 0 HG21 VAL A 42 19.363 -11.639 -3.671 1.00 54.52 H new ATOM 0 HG22 VAL A 42 18.122 -11.605 -2.396 1.00 54.52 H new ATOM 0 HG23 VAL A 42 19.082 -10.147 -2.742 1.00 54.52 H new ATOM 620 N LEU A 43 17.391 -11.309 -0.060 1.00 54.44 N ATOM 621 CA LEU A 43 16.135 -11.902 0.387 1.00 64.20 C ATOM 622 C LEU A 43 15.517 -12.761 -0.711 1.00 62.25 C ATOM 623 O LEU A 43 15.813 -12.605 -1.896 1.00 41.23 O ATOM 624 CB LEU A 43 15.153 -10.808 0.809 1.00 72.35 C ATOM 625 CG LEU A 43 15.177 -9.527 -0.025 1.00 3.51 C ATOM 626 CD1 LEU A 43 14.856 -9.830 -1.480 1.00 51.30 C ATOM 627 CD2 LEU A 43 14.199 -8.506 0.538 1.00 41.32 C ATOM 0 H LEU A 43 17.282 -10.467 -0.625 1.00 54.44 H new ATOM 0 HA LEU A 43 16.348 -12.540 1.245 1.00 64.20 H new ATOM 0 HB2 LEU A 43 14.145 -11.220 0.776 1.00 72.35 H new ATOM 0 HB3 LEU A 43 15.356 -10.546 1.847 1.00 72.35 H new ATOM 0 HG LEU A 43 16.181 -9.104 0.023 1.00 3.51 H new ATOM 0 HD11 LEU A 43 14.878 -8.906 -2.058 1.00 51.30 H new ATOM 0 HD12 LEU A 43 15.595 -10.525 -1.879 1.00 51.30 H new ATOM 0 HD13 LEU A 43 13.864 -10.277 -1.548 1.00 51.30 H new ATOM 0 HD21 LEU A 43 14.229 -7.600 -0.068 1.00 41.32 H new ATOM 0 HD22 LEU A 43 13.191 -8.920 0.521 1.00 41.32 H new ATOM 0 HD23 LEU A 43 14.475 -8.265 1.564 1.00 41.32 H new ATOM 639 N PRO A 44 14.636 -13.690 -0.311 1.00 51.24 N ATOM 640 CA PRO A 44 13.955 -14.590 -1.247 1.00 22.12 C ATOM 641 C PRO A 44 12.939 -13.860 -2.118 1.00 70.14 C ATOM 642 O PRO A 44 12.290 -12.913 -1.672 1.00 71.44 O ATOM 643 CB PRO A 44 13.250 -15.590 -0.327 1.00 63.21 C ATOM 644 CG PRO A 44 13.056 -14.855 0.954 1.00 52.11 C ATOM 645 CD PRO A 44 14.236 -13.932 1.085 1.00 54.12 C ATOM 0 HA PRO A 44 14.650 -15.051 -1.948 1.00 22.12 H new ATOM 0 HB2 PRO A 44 12.297 -15.911 -0.747 1.00 63.21 H new ATOM 0 HB3 PRO A 44 13.852 -16.487 -0.182 1.00 63.21 H new ATOM 0 HG2 PRO A 44 12.121 -14.294 0.944 1.00 52.11 H new ATOM 0 HG3 PRO A 44 13.005 -15.545 1.796 1.00 52.11 H new ATOM 0 HD2 PRO A 44 13.967 -13.006 1.592 1.00 54.12 H new ATOM 0 HD3 PRO A 44 15.041 -14.388 1.660 1.00 54.12 H new ATOM 653 N HIS A 45 12.805 -14.306 -3.363 1.00 61.24 N ATOM 654 CA HIS A 45 11.866 -13.695 -4.298 1.00 21.44 C ATOM 655 C HIS A 45 10.425 -13.968 -3.876 1.00 64.21 C ATOM 656 O HIS A 45 10.063 -15.102 -3.565 1.00 62.01 O ATOM 657 CB HIS A 45 12.105 -14.224 -5.712 1.00 72.03 C ATOM 658 CG HIS A 45 11.716 -15.660 -5.889 1.00 12.43 C ATOM 659 ND1 HIS A 45 10.615 -16.057 -6.618 1.00 11.12 N ATOM 660 CD2 HIS A 45 12.289 -16.795 -5.427 1.00 63.41 C ATOM 661 CE1 HIS A 45 10.527 -17.375 -6.595 1.00 40.25 C ATOM 662 NE2 HIS A 45 11.532 -17.847 -5.880 1.00 34.32 N ATOM 0 H HIS A 45 13.335 -15.088 -3.748 1.00 61.24 H new ATOM 0 HA HIS A 45 12.031 -12.618 -4.289 1.00 21.44 H new ATOM 0 HB2 HIS A 45 11.543 -13.614 -6.419 1.00 72.03 H new ATOM 0 HB3 HIS A 45 13.160 -14.109 -5.961 1.00 72.03 H new ATOM 0 HD2 HIS A 45 13.177 -16.861 -4.816 1.00 63.41 H new ATOM 0 HE1 HIS A 45 9.763 -17.966 -7.079 1.00 40.25 H new ATOM 0 HE2 HIS A 45 11.716 -18.833 -5.694 1.00 34.32 H new ATOM 670 N GLY A 46 9.608 -12.920 -3.868 1.00 15.24 N ATOM 671 CA GLY A 46 8.216 -13.067 -3.482 1.00 23.42 C ATOM 672 C GLY A 46 7.891 -12.338 -2.194 1.00 3.44 C ATOM 673 O GLY A 46 6.837 -11.713 -2.073 1.00 73.03 O ATOM 0 H GLY A 46 9.884 -11.972 -4.122 1.00 15.24 H new ATOM 0 HA2 GLY A 46 7.579 -12.688 -4.281 1.00 23.42 H new ATOM 0 HA3 GLY A 46 7.985 -14.126 -3.365 1.00 23.42 H new ATOM 677 N THR A 47 8.799 -12.417 -1.225 1.00 52.42 N ATOM 678 CA THR A 47 8.602 -11.761 0.062 1.00 64.15 C ATOM 679 C THR A 47 8.290 -10.280 -0.118 1.00 4.11 C ATOM 680 O THR A 47 9.107 -9.523 -0.643 1.00 32.15 O ATOM 681 CB THR A 47 9.844 -11.907 0.962 1.00 72.23 C ATOM 682 OG1 THR A 47 10.096 -13.291 1.228 1.00 33.40 O ATOM 683 CG2 THR A 47 9.652 -11.160 2.273 1.00 45.12 C ATOM 0 H THR A 47 9.678 -12.929 -1.308 1.00 52.42 H new ATOM 0 HA THR A 47 7.755 -12.252 0.541 1.00 64.15 H new ATOM 0 HB THR A 47 10.698 -11.477 0.439 1.00 72.23 H new ATOM 0 HG1 THR A 47 10.592 -13.377 2.069 1.00 33.40 H new ATOM 0 HG21 THR A 47 10.541 -11.277 2.892 1.00 45.12 H new ATOM 0 HG22 THR A 47 9.489 -10.102 2.068 1.00 45.12 H new ATOM 0 HG23 THR A 47 8.788 -11.565 2.799 1.00 45.12 H new ATOM 691 N ALA A 48 7.104 -9.872 0.322 1.00 62.35 N ATOM 692 CA ALA A 48 6.686 -8.480 0.212 1.00 71.34 C ATOM 693 C ALA A 48 7.214 -7.655 1.380 1.00 53.41 C ATOM 694 O ALA A 48 7.343 -8.154 2.498 1.00 43.13 O ATOM 695 CB ALA A 48 5.169 -8.389 0.141 1.00 32.21 C ATOM 0 H ALA A 48 6.416 -10.486 0.758 1.00 62.35 H new ATOM 0 HA ALA A 48 7.107 -8.071 -0.707 1.00 71.34 H new ATOM 0 HB1 ALA A 48 4.871 -7.344 0.059 1.00 32.21 H new ATOM 0 HB2 ALA A 48 4.812 -8.938 -0.731 1.00 32.21 H new ATOM 0 HB3 ALA A 48 4.736 -8.820 1.044 1.00 32.21 H new ATOM 701 N VAL A 49 7.518 -6.388 1.114 1.00 34.10 N ATOM 702 CA VAL A 49 8.031 -5.493 2.144 1.00 42.33 C ATOM 703 C VAL A 49 7.286 -4.163 2.138 1.00 75.05 C ATOM 704 O VAL A 49 7.064 -3.570 1.082 1.00 1.25 O ATOM 705 CB VAL A 49 9.536 -5.226 1.955 1.00 4.44 C ATOM 706 CG1 VAL A 49 10.083 -4.406 3.115 1.00 74.52 C ATOM 707 CG2 VAL A 49 10.296 -6.536 1.813 1.00 11.11 C ATOM 0 H VAL A 49 7.418 -5.959 0.194 1.00 34.10 H new ATOM 0 HA VAL A 49 7.874 -5.989 3.102 1.00 42.33 H new ATOM 0 HB VAL A 49 9.673 -4.652 1.039 1.00 4.44 H new ATOM 0 HG11 VAL A 49 11.148 -4.227 2.964 1.00 74.52 H new ATOM 0 HG12 VAL A 49 9.558 -3.452 3.165 1.00 74.52 H new ATOM 0 HG13 VAL A 49 9.935 -4.951 4.047 1.00 74.52 H new ATOM 0 HG21 VAL A 49 11.358 -6.328 1.680 1.00 11.11 H new ATOM 0 HG22 VAL A 49 10.154 -7.138 2.710 1.00 11.11 H new ATOM 0 HG23 VAL A 49 9.922 -7.082 0.947 1.00 11.11 H new ATOM 717 N GLU A 50 6.901 -3.701 3.323 1.00 2.32 N ATOM 718 CA GLU A 50 6.180 -2.440 3.454 1.00 73.34 C ATOM 719 C GLU A 50 7.135 -1.254 3.357 1.00 32.12 C ATOM 720 O GLU A 50 8.210 -1.257 3.959 1.00 35.11 O ATOM 721 CB GLU A 50 5.425 -2.394 4.784 1.00 73.43 C ATOM 722 CG GLU A 50 4.729 -1.069 5.043 1.00 12.12 C ATOM 723 CD GLU A 50 3.776 -0.682 3.928 1.00 4.05 C ATOM 724 OE1 GLU A 50 2.801 -1.426 3.696 1.00 60.03 O ATOM 725 OE2 GLU A 50 4.007 0.366 3.289 1.00 31.20 O ATOM 0 H GLU A 50 7.076 -4.181 4.206 1.00 2.32 H new ATOM 0 HA GLU A 50 5.463 -2.375 2.635 1.00 73.34 H new ATOM 0 HB2 GLU A 50 4.684 -3.193 4.799 1.00 73.43 H new ATOM 0 HB3 GLU A 50 6.124 -2.592 5.596 1.00 73.43 H new ATOM 0 HG2 GLU A 50 4.178 -1.130 5.982 1.00 12.12 H new ATOM 0 HG3 GLU A 50 5.478 -0.287 5.163 1.00 12.12 H new ATOM 732 N LEU A 51 6.736 -0.241 2.596 1.00 72.43 N ATOM 733 CA LEU A 51 7.556 0.952 2.419 1.00 54.31 C ATOM 734 C LEU A 51 6.946 2.145 3.149 1.00 21.55 C ATOM 735 O LEU A 51 6.104 2.867 2.615 1.00 21.15 O ATOM 736 CB LEU A 51 7.708 1.275 0.931 1.00 31.33 C ATOM 737 CG LEU A 51 8.142 0.115 0.034 1.00 32.12 C ATOM 738 CD1 LEU A 51 7.657 0.332 -1.391 1.00 3.22 C ATOM 739 CD2 LEU A 51 9.655 -0.047 0.066 1.00 34.14 C ATOM 0 H LEU A 51 5.850 -0.222 2.092 1.00 72.43 H new ATOM 0 HA LEU A 51 8.540 0.753 2.844 1.00 54.31 H new ATOM 0 HB2 LEU A 51 6.755 1.656 0.563 1.00 31.33 H new ATOM 0 HB3 LEU A 51 8.435 2.080 0.827 1.00 31.33 H new ATOM 0 HG LEU A 51 7.691 -0.802 0.414 1.00 32.12 H new ATOM 0 HD11 LEU A 51 7.975 -0.503 -2.015 1.00 3.22 H new ATOM 0 HD12 LEU A 51 6.569 0.397 -1.399 1.00 3.22 H new ATOM 0 HD13 LEU A 51 8.079 1.258 -1.782 1.00 3.22 H new ATOM 0 HD21 LEU A 51 9.946 -0.877 -0.578 1.00 34.14 H new ATOM 0 HD22 LEU A 51 10.127 0.870 -0.288 1.00 34.14 H new ATOM 0 HD23 LEU A 51 9.978 -0.250 1.087 1.00 34.14 H new ATOM 751 N PRO A 52 7.382 2.358 4.400 1.00 54.31 N ATOM 752 CA PRO A 52 6.894 3.464 5.230 1.00 42.13 C ATOM 753 C PRO A 52 7.373 4.821 4.726 1.00 1.52 C ATOM 754 O PRO A 52 8.428 4.925 4.101 1.00 45.11 O ATOM 755 CB PRO A 52 7.491 3.164 6.607 1.00 71.20 C ATOM 756 CG PRO A 52 8.706 2.349 6.324 1.00 34.01 C ATOM 757 CD PRO A 52 8.384 1.537 5.100 1.00 52.31 C ATOM 0 HA PRO A 52 5.806 3.527 5.227 1.00 42.13 H new ATOM 0 HB2 PRO A 52 7.745 4.082 7.137 1.00 71.20 H new ATOM 0 HB3 PRO A 52 6.786 2.619 7.234 1.00 71.20 H new ATOM 0 HG2 PRO A 52 9.573 2.987 6.152 1.00 34.01 H new ATOM 0 HG3 PRO A 52 8.948 1.703 7.168 1.00 34.01 H new ATOM 0 HD2 PRO A 52 9.268 1.370 4.484 1.00 52.31 H new ATOM 0 HD3 PRO A 52 7.988 0.556 5.361 1.00 52.31 H new ATOM 765 N ASP A 53 6.591 5.859 5.003 1.00 43.21 N ATOM 766 CA ASP A 53 6.937 7.211 4.579 1.00 13.21 C ATOM 767 C ASP A 53 6.982 7.309 3.057 1.00 24.44 C ATOM 768 O ASP A 53 7.824 8.009 2.495 1.00 52.33 O ATOM 769 CB ASP A 53 8.285 7.625 5.170 1.00 65.22 C ATOM 770 CG ASP A 53 8.419 7.244 6.631 1.00 14.43 C ATOM 771 OD1 ASP A 53 7.516 7.594 7.420 1.00 53.24 O ATOM 772 OD2 ASP A 53 9.426 6.597 6.987 1.00 41.50 O ATOM 0 H ASP A 53 5.714 5.790 5.519 1.00 43.21 H new ATOM 0 HA ASP A 53 6.166 7.888 4.946 1.00 13.21 H new ATOM 0 HB2 ASP A 53 9.087 7.156 4.600 1.00 65.22 H new ATOM 0 HB3 ASP A 53 8.408 8.703 5.066 1.00 65.22 H new ATOM 777 N VAL A 54 6.072 6.600 2.396 1.00 24.04 N ATOM 778 CA VAL A 54 6.009 6.606 0.940 1.00 53.42 C ATOM 779 C VAL A 54 4.642 7.074 0.452 1.00 61.43 C ATOM 780 O VAL A 54 3.617 6.763 1.057 1.00 31.04 O ATOM 781 CB VAL A 54 6.299 5.210 0.359 1.00 22.32 C ATOM 782 CG1 VAL A 54 6.191 5.229 -1.158 1.00 31.11 C ATOM 783 CG2 VAL A 54 7.673 4.726 0.798 1.00 41.12 C ATOM 0 H VAL A 54 5.369 6.014 2.846 1.00 24.04 H new ATOM 0 HA VAL A 54 6.774 7.301 0.593 1.00 53.42 H new ATOM 0 HB VAL A 54 5.553 4.514 0.743 1.00 22.32 H new ATOM 0 HG11 VAL A 54 6.399 4.234 -1.550 1.00 31.11 H new ATOM 0 HG12 VAL A 54 5.184 5.530 -1.447 1.00 31.11 H new ATOM 0 HG13 VAL A 54 6.912 5.938 -1.565 1.00 31.11 H new ATOM 0 HG21 VAL A 54 7.862 3.738 0.379 1.00 41.12 H new ATOM 0 HG22 VAL A 54 8.434 5.422 0.444 1.00 41.12 H new ATOM 0 HG23 VAL A 54 7.709 4.671 1.886 1.00 41.12 H new ATOM 793 N GLN A 55 4.636 7.821 -0.647 1.00 41.03 N ATOM 794 CA GLN A 55 3.395 8.331 -1.217 1.00 14.31 C ATOM 795 C GLN A 55 3.201 7.826 -2.643 1.00 25.43 C ATOM 796 O GLN A 55 3.958 6.980 -3.121 1.00 71.32 O ATOM 797 CB GLN A 55 3.392 9.861 -1.201 1.00 22.21 C ATOM 798 CG GLN A 55 3.774 10.456 0.145 1.00 62.21 C ATOM 799 CD GLN A 55 3.965 11.958 0.086 1.00 43.55 C ATOM 800 OE1 GLN A 55 4.794 12.461 -0.674 1.00 52.04 O ATOM 801 NE2 GLN A 55 3.198 12.685 0.889 1.00 13.31 N ATOM 0 H GLN A 55 5.476 8.086 -1.160 1.00 41.03 H new ATOM 0 HA GLN A 55 2.569 7.966 -0.607 1.00 14.31 H new ATOM 0 HB2 GLN A 55 4.085 10.225 -1.960 1.00 22.21 H new ATOM 0 HB3 GLN A 55 2.400 10.217 -1.478 1.00 22.21 H new ATOM 0 HG2 GLN A 55 3.000 10.221 0.875 1.00 62.21 H new ATOM 0 HG3 GLN A 55 4.695 9.990 0.496 1.00 62.21 H new ATOM 0 HE21 GLN A 55 2.524 12.227 1.503 1.00 13.31 H new ATOM 0 HE22 GLN A 55 3.282 13.701 0.892 1.00 13.31 H new ATOM 810 N THR A 56 2.183 8.349 -3.318 1.00 71.22 N ATOM 811 CA THR A 56 1.889 7.950 -4.689 1.00 21.53 C ATOM 812 C THR A 56 3.115 8.103 -5.581 1.00 43.41 C ATOM 813 O THR A 56 3.821 9.109 -5.514 1.00 50.42 O ATOM 814 CB THR A 56 0.732 8.777 -5.279 1.00 34.20 C ATOM 815 OG1 THR A 56 -0.366 8.808 -4.360 1.00 75.04 O ATOM 816 CG2 THR A 56 0.272 8.194 -6.607 1.00 1.01 C ATOM 0 H THR A 56 1.548 9.050 -2.938 1.00 71.22 H new ATOM 0 HA THR A 56 1.596 6.901 -4.657 1.00 21.53 H new ATOM 0 HB THR A 56 1.091 9.792 -5.451 1.00 34.20 H new ATOM 0 HG1 THR A 56 -1.097 9.337 -4.742 1.00 75.04 H new ATOM 0 HG21 THR A 56 -0.546 8.795 -7.004 1.00 1.01 H new ATOM 0 HG22 THR A 56 1.102 8.199 -7.313 1.00 1.01 H new ATOM 0 HG23 THR A 56 -0.070 7.170 -6.456 1.00 1.01 H new ATOM 824 N ALA A 57 3.363 7.100 -6.417 1.00 10.13 N ATOM 825 CA ALA A 57 4.503 7.126 -7.325 1.00 31.23 C ATOM 826 C ALA A 57 4.135 6.542 -8.684 1.00 61.53 C ATOM 827 O ALA A 57 4.297 5.348 -8.938 1.00 73.31 O ATOM 828 CB ALA A 57 5.675 6.367 -6.721 1.00 64.45 C ATOM 0 H ALA A 57 2.789 6.259 -6.484 1.00 10.13 H new ATOM 0 HA ALA A 57 4.795 8.166 -7.473 1.00 31.23 H new ATOM 0 HB1 ALA A 57 6.520 6.394 -7.409 1.00 64.45 H new ATOM 0 HB2 ALA A 57 5.961 6.831 -5.777 1.00 64.45 H new ATOM 0 HB3 ALA A 57 5.385 5.331 -6.543 1.00 64.45 H new ATOM 834 N PRO A 58 3.628 7.401 -9.581 1.00 34.42 N ATOM 835 CA PRO A 58 3.226 6.991 -10.930 1.00 1.41 C ATOM 836 C PRO A 58 4.421 6.631 -11.806 1.00 71.40 C ATOM 837 O PRO A 58 5.130 7.508 -12.299 1.00 12.33 O ATOM 838 CB PRO A 58 2.515 8.231 -11.479 1.00 71.54 C ATOM 839 CG PRO A 58 3.098 9.371 -10.718 1.00 72.30 C ATOM 840 CD PRO A 58 3.407 8.838 -9.346 1.00 63.55 C ATOM 0 HA PRO A 58 2.604 6.096 -10.916 1.00 1.41 H new ATOM 0 HB2 PRO A 58 2.684 8.342 -12.550 1.00 71.54 H new ATOM 0 HB3 PRO A 58 1.437 8.167 -11.332 1.00 71.54 H new ATOM 0 HG2 PRO A 58 4.000 9.744 -11.204 1.00 72.30 H new ATOM 0 HG3 PRO A 58 2.397 10.204 -10.664 1.00 72.30 H new ATOM 0 HD2 PRO A 58 4.289 9.316 -8.918 1.00 63.55 H new ATOM 0 HD3 PRO A 58 2.583 9.010 -8.653 1.00 63.55 H new ATOM 848 N VAL A 59 4.639 5.333 -11.997 1.00 12.32 N ATOM 849 CA VAL A 59 5.747 4.856 -12.815 1.00 42.42 C ATOM 850 C VAL A 59 5.243 4.058 -14.012 1.00 50.32 C ATOM 851 O VAL A 59 4.037 3.910 -14.209 1.00 3.11 O ATOM 852 CB VAL A 59 6.712 3.978 -11.996 1.00 42.54 C ATOM 853 CG1 VAL A 59 7.314 4.774 -10.848 1.00 63.12 C ATOM 854 CG2 VAL A 59 5.997 2.739 -11.480 1.00 55.40 C ATOM 0 H VAL A 59 4.062 4.593 -11.596 1.00 12.32 H new ATOM 0 HA VAL A 59 6.281 5.738 -13.169 1.00 42.42 H new ATOM 0 HB VAL A 59 7.524 3.655 -12.648 1.00 42.54 H new ATOM 0 HG11 VAL A 59 7.993 4.137 -10.281 1.00 63.12 H new ATOM 0 HG12 VAL A 59 7.864 5.627 -11.246 1.00 63.12 H new ATOM 0 HG13 VAL A 59 6.517 5.129 -10.194 1.00 63.12 H new ATOM 0 HG21 VAL A 59 6.694 2.130 -10.904 1.00 55.40 H new ATOM 0 HG22 VAL A 59 5.164 3.038 -10.844 1.00 55.40 H new ATOM 0 HG23 VAL A 59 5.620 2.159 -12.322 1.00 55.40 H new ATOM 864 N ALA A 60 6.175 3.546 -14.809 1.00 74.44 N ATOM 865 CA ALA A 60 5.825 2.760 -15.986 1.00 71.13 C ATOM 866 C ALA A 60 5.993 1.268 -15.720 1.00 62.12 C ATOM 867 O ALA A 60 6.626 0.557 -16.500 1.00 42.11 O ATOM 868 CB ALA A 60 6.673 3.185 -17.176 1.00 22.13 C ATOM 0 H ALA A 60 7.178 3.661 -14.661 1.00 74.44 H new ATOM 0 HA ALA A 60 4.776 2.945 -16.217 1.00 71.13 H new ATOM 0 HB1 ALA A 60 6.401 2.590 -18.048 1.00 22.13 H new ATOM 0 HB2 ALA A 60 6.499 4.240 -17.388 1.00 22.13 H new ATOM 0 HB3 ALA A 60 7.727 3.030 -16.946 1.00 22.13 H new ATOM 874 N GLU A 61 5.423 0.801 -14.614 1.00 22.42 N ATOM 875 CA GLU A 61 5.513 -0.607 -14.245 1.00 75.44 C ATOM 876 C GLU A 61 4.129 -1.250 -14.212 1.00 52.01 C ATOM 877 O GLU A 61 3.777 -1.947 -13.260 1.00 4.05 O ATOM 878 CB GLU A 61 6.190 -0.759 -12.882 1.00 1.32 C ATOM 879 CG GLU A 61 7.704 -0.643 -12.938 1.00 61.23 C ATOM 880 CD GLU A 61 8.184 0.792 -12.841 1.00 33.03 C ATOM 881 OE1 GLU A 61 8.061 1.527 -13.843 1.00 1.22 O ATOM 882 OE2 GLU A 61 8.682 1.180 -11.763 1.00 74.23 O ATOM 0 H GLU A 61 4.894 1.376 -13.958 1.00 22.42 H new ATOM 0 HA GLU A 61 6.114 -1.115 -14.999 1.00 75.44 H new ATOM 0 HB2 GLU A 61 5.801 0.002 -12.205 1.00 1.32 H new ATOM 0 HB3 GLU A 61 5.924 -1.728 -12.459 1.00 1.32 H new ATOM 0 HG2 GLU A 61 8.139 -1.223 -12.124 1.00 61.23 H new ATOM 0 HG3 GLU A 61 8.064 -1.080 -13.869 1.00 61.23 H new ATOM 889 N THR A 62 3.346 -1.010 -15.259 1.00 51.14 N ATOM 890 CA THR A 62 2.000 -1.563 -15.350 1.00 44.45 C ATOM 891 C THR A 62 1.833 -2.397 -16.615 1.00 23.51 C ATOM 892 O THR A 62 2.649 -2.321 -17.534 1.00 24.45 O ATOM 893 CB THR A 62 0.934 -0.451 -15.338 1.00 44.25 C ATOM 894 OG1 THR A 62 1.352 0.637 -16.171 1.00 11.25 O ATOM 895 CG2 THR A 62 0.692 0.051 -13.923 1.00 35.20 C ATOM 0 H THR A 62 3.621 -0.436 -16.056 1.00 51.14 H new ATOM 0 HA THR A 62 1.860 -2.200 -14.477 1.00 44.45 H new ATOM 0 HB THR A 62 0.003 -0.866 -15.723 1.00 44.25 H new ATOM 0 HG1 THR A 62 0.668 1.339 -16.160 1.00 11.25 H new ATOM 0 HG21 THR A 62 -0.064 0.836 -13.940 1.00 35.20 H new ATOM 0 HG22 THR A 62 0.346 -0.773 -13.299 1.00 35.20 H new ATOM 0 HG23 THR A 62 1.620 0.451 -13.515 1.00 35.20 H new ATOM 903 N VAL A 63 0.770 -3.194 -16.656 1.00 60.14 N ATOM 904 CA VAL A 63 0.495 -4.042 -17.810 1.00 32.42 C ATOM 905 C VAL A 63 1.711 -4.887 -18.174 1.00 12.05 C ATOM 906 O VAL A 63 2.453 -4.558 -19.098 1.00 25.35 O ATOM 907 CB VAL A 63 0.079 -3.206 -19.035 1.00 21.51 C ATOM 908 CG1 VAL A 63 -0.293 -4.113 -20.198 1.00 53.34 C ATOM 909 CG2 VAL A 63 -1.074 -2.279 -18.680 1.00 65.34 C ATOM 0 H VAL A 63 0.085 -3.270 -15.904 1.00 60.14 H new ATOM 0 HA VAL A 63 -0.329 -4.698 -17.531 1.00 32.42 H new ATOM 0 HB VAL A 63 0.927 -2.593 -19.341 1.00 21.51 H new ATOM 0 HG11 VAL A 63 -0.584 -3.505 -21.055 1.00 53.34 H new ATOM 0 HG12 VAL A 63 0.564 -4.731 -20.466 1.00 53.34 H new ATOM 0 HG13 VAL A 63 -1.126 -4.754 -19.908 1.00 53.34 H new ATOM 0 HG21 VAL A 63 -1.355 -1.696 -19.557 1.00 65.34 H new ATOM 0 HG22 VAL A 63 -1.928 -2.870 -18.349 1.00 65.34 H new ATOM 0 HG23 VAL A 63 -0.766 -1.606 -17.880 1.00 65.34 H new ATOM 919 N ASN A 64 1.908 -5.978 -17.440 1.00 54.20 N ATOM 920 CA ASN A 64 3.034 -6.871 -17.685 1.00 44.33 C ATOM 921 C ASN A 64 2.612 -8.330 -17.549 1.00 34.24 C ATOM 922 O ASN A 64 3.124 -9.060 -16.699 1.00 2.44 O ATOM 923 CB ASN A 64 4.175 -6.565 -16.712 1.00 61.25 C ATOM 924 CG ASN A 64 4.626 -5.119 -16.786 1.00 62.32 C ATOM 925 OD1 ASN A 64 4.438 -4.350 -15.844 1.00 11.13 O ATOM 926 ND2 ASN A 64 5.225 -4.743 -17.910 1.00 63.10 N ATOM 0 H ASN A 64 1.302 -6.264 -16.671 1.00 54.20 H new ATOM 0 HA ASN A 64 3.381 -6.706 -18.705 1.00 44.33 H new ATOM 0 HB2 ASN A 64 3.852 -6.790 -15.696 1.00 61.25 H new ATOM 0 HB3 ASN A 64 5.020 -7.218 -16.930 1.00 61.25 H new ATOM 0 HD21 ASN A 64 5.550 -3.782 -18.018 1.00 63.10 H new ATOM 0 HD22 ASN A 64 5.360 -5.415 -18.665 1.00 63.10 H new ATOM 933 N LEU A 65 1.674 -8.750 -18.391 1.00 22.10 N ATOM 934 CA LEU A 65 1.182 -10.123 -18.366 1.00 21.25 C ATOM 935 C LEU A 65 0.664 -10.541 -19.738 1.00 32.42 C ATOM 936 O LEU A 65 0.036 -9.751 -20.442 1.00 41.13 O ATOM 937 CB LEU A 65 0.073 -10.269 -17.323 1.00 14.14 C ATOM 938 CG LEU A 65 -1.220 -9.502 -17.606 1.00 23.23 C ATOM 939 CD1 LEU A 65 -2.183 -10.360 -18.411 1.00 54.53 C ATOM 940 CD2 LEU A 65 -1.866 -9.048 -16.305 1.00 72.11 C ATOM 0 H LEU A 65 1.239 -8.159 -19.100 1.00 22.10 H new ATOM 0 HA LEU A 65 2.013 -10.776 -18.098 1.00 21.25 H new ATOM 0 HB2 LEU A 65 -0.170 -11.327 -17.226 1.00 14.14 H new ATOM 0 HB3 LEU A 65 0.463 -9.941 -16.359 1.00 14.14 H new ATOM 0 HG LEU A 65 -0.975 -8.618 -18.194 1.00 23.23 H new ATOM 0 HD11 LEU A 65 -3.097 -9.798 -18.603 1.00 54.53 H new ATOM 0 HD12 LEU A 65 -1.720 -10.635 -19.359 1.00 54.53 H new ATOM 0 HD13 LEU A 65 -2.423 -11.263 -17.849 1.00 54.53 H new ATOM 0 HD21 LEU A 65 -2.785 -8.504 -16.525 1.00 72.11 H new ATOM 0 HD22 LEU A 65 -2.098 -9.918 -15.691 1.00 72.11 H new ATOM 0 HD23 LEU A 65 -1.179 -8.396 -15.766 1.00 72.11 H new ATOM 952 N TRP A 66 0.929 -11.789 -20.109 1.00 51.53 N ATOM 953 CA TRP A 66 0.487 -12.313 -21.397 1.00 1.42 C ATOM 954 C TRP A 66 -0.539 -13.425 -21.209 1.00 3.22 C ATOM 955 O TRP A 66 -1.401 -13.636 -22.061 1.00 0.51 O ATOM 956 CB TRP A 66 1.683 -12.834 -22.196 1.00 34.23 C ATOM 957 CG TRP A 66 2.719 -11.786 -22.467 1.00 53.21 C ATOM 958 CD1 TRP A 66 2.554 -10.638 -23.189 1.00 70.31 C ATOM 959 CD2 TRP A 66 4.079 -11.790 -22.022 1.00 24.13 C ATOM 960 NE1 TRP A 66 3.730 -9.929 -23.219 1.00 65.04 N ATOM 961 CE2 TRP A 66 4.681 -10.614 -22.510 1.00 3.20 C ATOM 962 CE3 TRP A 66 4.847 -12.672 -21.256 1.00 43.25 C ATOM 963 CZ2 TRP A 66 6.014 -10.300 -22.258 1.00 21.12 C ATOM 964 CZ3 TRP A 66 6.170 -12.359 -21.007 1.00 61.23 C ATOM 965 CH2 TRP A 66 6.743 -11.181 -21.506 1.00 34.41 C ATOM 0 H TRP A 66 1.447 -12.456 -19.537 1.00 51.53 H new ATOM 0 HA TRP A 66 0.016 -11.500 -21.950 1.00 1.42 H new ATOM 0 HB2 TRP A 66 2.144 -13.658 -21.651 1.00 34.23 H new ATOM 0 HB3 TRP A 66 1.329 -13.238 -23.144 1.00 34.23 H new ATOM 0 HD1 TRP A 66 1.634 -10.333 -23.666 1.00 70.31 H new ATOM 0 HE1 TRP A 66 3.872 -9.037 -23.693 1.00 65.04 H new ATOM 0 HE3 TRP A 66 4.414 -13.581 -20.866 1.00 43.25 H new ATOM 0 HZ2 TRP A 66 6.457 -9.393 -22.642 1.00 21.12 H new ATOM 0 HZ3 TRP A 66 6.773 -13.034 -20.418 1.00 61.23 H new ATOM 0 HH2 TRP A 66 7.779 -10.965 -21.293 1.00 34.41 H new ATOM 976 N GLU A 67 -0.439 -14.133 -20.088 1.00 51.21 N ATOM 977 CA GLU A 67 -1.359 -15.224 -19.790 1.00 74.03 C ATOM 978 C GLU A 67 -1.575 -15.358 -18.286 1.00 33.53 C ATOM 979 O GLU A 67 -0.797 -16.013 -17.592 1.00 33.24 O ATOM 980 CB GLU A 67 -0.826 -16.540 -20.360 1.00 31.32 C ATOM 981 CG GLU A 67 -1.605 -17.762 -19.902 1.00 13.31 C ATOM 982 CD GLU A 67 -3.048 -17.742 -20.368 1.00 50.24 C ATOM 983 OE1 GLU A 67 -3.801 -16.846 -19.933 1.00 43.41 O ATOM 984 OE2 GLU A 67 -3.424 -18.623 -21.169 1.00 60.25 O ATOM 0 H GLU A 67 0.269 -13.971 -19.372 1.00 51.21 H new ATOM 0 HA GLU A 67 -2.317 -14.996 -20.258 1.00 74.03 H new ATOM 0 HB2 GLU A 67 -0.851 -16.491 -21.449 1.00 31.32 H new ATOM 0 HB3 GLU A 67 0.218 -16.655 -20.070 1.00 31.32 H new ATOM 0 HG2 GLU A 67 -1.118 -18.661 -20.279 1.00 13.31 H new ATOM 0 HG3 GLU A 67 -1.579 -17.818 -18.814 1.00 13.31 H new ATOM 991 N VAL A 68 -2.637 -14.733 -17.788 1.00 34.11 N ATOM 992 CA VAL A 68 -2.957 -14.783 -16.366 1.00 51.53 C ATOM 993 C VAL A 68 -4.150 -15.694 -16.103 1.00 31.44 C ATOM 994 O VAL A 68 -4.275 -16.272 -15.023 1.00 53.33 O ATOM 995 CB VAL A 68 -3.265 -13.379 -15.811 1.00 61.21 C ATOM 996 CG1 VAL A 68 -4.556 -12.840 -16.407 1.00 72.35 C ATOM 997 CG2 VAL A 68 -3.343 -13.413 -14.292 1.00 42.12 C ATOM 0 H VAL A 68 -3.291 -14.186 -18.348 1.00 34.11 H new ATOM 0 HA VAL A 68 -2.080 -15.183 -15.858 1.00 51.53 H new ATOM 0 HB VAL A 68 -2.454 -12.709 -16.096 1.00 61.21 H new ATOM 0 HG11 VAL A 68 -4.757 -11.848 -16.003 1.00 72.35 H new ATOM 0 HG12 VAL A 68 -4.458 -12.778 -17.491 1.00 72.35 H new ATOM 0 HG13 VAL A 68 -5.380 -13.508 -16.155 1.00 72.35 H new ATOM 0 HG21 VAL A 68 -3.561 -12.413 -13.916 1.00 42.12 H new ATOM 0 HG22 VAL A 68 -4.134 -14.097 -13.983 1.00 42.12 H new ATOM 0 HG23 VAL A 68 -2.390 -13.753 -13.886 1.00 42.12 H new ATOM 1007 N GLU A 69 -5.024 -15.819 -17.097 1.00 22.02 N ATOM 1008 CA GLU A 69 -6.208 -16.661 -16.971 1.00 64.13 C ATOM 1009 C GLU A 69 -5.887 -18.108 -17.334 1.00 61.24 C ATOM 1010 O GLU A 69 -6.449 -18.662 -18.280 1.00 32.24 O ATOM 1011 CB GLU A 69 -7.332 -16.136 -17.867 1.00 65.12 C ATOM 1012 CG GLU A 69 -7.976 -14.860 -17.351 1.00 64.41 C ATOM 1013 CD GLU A 69 -8.974 -15.119 -16.239 1.00 64.31 C ATOM 1014 OE1 GLU A 69 -9.758 -16.084 -16.357 1.00 44.24 O ATOM 1015 OE2 GLU A 69 -8.970 -14.357 -15.250 1.00 3.30 O ATOM 0 H GLU A 69 -4.935 -15.348 -17.998 1.00 22.02 H new ATOM 0 HA GLU A 69 -6.537 -16.629 -15.932 1.00 64.13 H new ATOM 0 HB2 GLU A 69 -6.934 -15.954 -18.865 1.00 65.12 H new ATOM 0 HB3 GLU A 69 -8.098 -16.906 -17.964 1.00 65.12 H new ATOM 0 HG2 GLU A 69 -7.200 -14.187 -16.988 1.00 64.41 H new ATOM 0 HG3 GLU A 69 -8.479 -14.352 -18.174 1.00 64.41 H new ATOM 1022 N HIS A 70 -4.979 -18.715 -16.577 1.00 4.12 N ATOM 1023 CA HIS A 70 -4.582 -20.098 -16.818 1.00 52.30 C ATOM 1024 C HIS A 70 -5.712 -21.058 -16.457 1.00 40.53 C ATOM 1025 O HIS A 70 -6.756 -20.642 -15.954 1.00 31.35 O ATOM 1026 CB HIS A 70 -3.330 -20.440 -16.011 1.00 4.44 C ATOM 1027 CG HIS A 70 -3.541 -20.394 -14.529 1.00 12.54 C ATOM 1028 ND1 HIS A 70 -4.263 -21.347 -13.841 1.00 42.34 N ATOM 1029 CD2 HIS A 70 -3.120 -19.502 -13.601 1.00 65.14 C ATOM 1030 CE1 HIS A 70 -4.277 -21.043 -12.556 1.00 13.41 C ATOM 1031 NE2 HIS A 70 -3.590 -19.928 -12.384 1.00 12.23 N ATOM 0 H HIS A 70 -4.504 -18.271 -15.791 1.00 4.12 H new ATOM 0 HA HIS A 70 -4.361 -20.207 -17.880 1.00 52.30 H new ATOM 0 HB2 HIS A 70 -2.989 -21.437 -16.290 1.00 4.44 H new ATOM 0 HB3 HIS A 70 -2.534 -19.744 -16.278 1.00 4.44 H new ATOM 0 HD2 HIS A 70 -2.525 -18.620 -13.785 1.00 65.14 H new ATOM 0 HE1 HIS A 70 -4.767 -21.610 -11.778 1.00 13.41 H new ATOM 0 HE2 HIS A 70 -3.434 -19.460 -11.491 1.00 12.23 H new ATOM 1039 N HIS A 71 -5.496 -22.343 -16.719 1.00 54.23 N ATOM 1040 CA HIS A 71 -6.497 -23.362 -16.422 1.00 41.23 C ATOM 1041 C HIS A 71 -5.844 -24.730 -16.250 1.00 12.04 C ATOM 1042 O HIS A 71 -4.621 -24.858 -16.320 1.00 75.24 O ATOM 1043 CB HIS A 71 -7.543 -23.420 -17.536 1.00 42.42 C ATOM 1044 CG HIS A 71 -6.952 -23.447 -18.912 1.00 44.00 C ATOM 1045 ND1 HIS A 71 -6.357 -24.567 -19.454 1.00 31.14 N ATOM 1046 CD2 HIS A 71 -6.867 -22.483 -19.859 1.00 32.14 C ATOM 1047 CE1 HIS A 71 -5.931 -24.291 -20.673 1.00 51.42 C ATOM 1048 NE2 HIS A 71 -6.229 -23.032 -20.943 1.00 62.43 N ATOM 0 H HIS A 71 -4.638 -22.703 -17.136 1.00 54.23 H new ATOM 0 HA HIS A 71 -6.988 -23.092 -15.487 1.00 41.23 H new ATOM 0 HB2 HIS A 71 -8.161 -24.307 -17.397 1.00 42.42 H new ATOM 0 HB3 HIS A 71 -8.202 -22.556 -17.450 1.00 42.42 H new ATOM 0 HD2 HIS A 71 -7.233 -21.470 -19.777 1.00 32.14 H new ATOM 0 HE1 HIS A 71 -5.425 -24.977 -21.336 1.00 51.42 H new ATOM 0 HE2 HIS A 71 -6.019 -22.547 -21.815 1.00 62.43 H new TER 1056 HIS A 71