USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 535 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0788 K(o=-0.079,f=-1.4!) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0469 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 36:sc= -0.439 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 18 SER OG : rot -83:sc= 1.27 USER MOD Single : A 20 ASN : amide:sc= -0.724 K(o=-0.72,f=-12!) USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 172:sc= 2.01 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -6:sc= 0.408 USER MOD Single : A 47 THR OG1 : rot 171:sc= -0.288 USER MOD Single : A 54 THR OG1 : rot -156:sc= 0.394 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 164:sc= -4.66! (180deg=-6.15!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -140:sc= -3.17! USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00361 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.428 10.719 -4.504 1.00 1.49 N ATOM 2 CA GLY A 1 9.104 9.333 -4.098 1.00 1.01 C ATOM 3 C GLY A 1 8.934 8.418 -5.288 1.00 0.96 C ATOM 4 O GLY A 1 8.103 8.666 -6.162 1.00 1.71 O ATOM 0 H1 GLY A 1 9.536 11.313 -3.657 1.00 1.49 H new ATOM 0 H2 GLY A 1 10.316 10.724 -5.046 1.00 1.49 H new ATOM 0 H3 GLY A 1 8.660 11.096 -5.095 1.00 1.49 H new ATOM 0 HA2 GLY A 1 9.897 8.949 -3.456 1.00 1.01 H new ATOM 0 HA3 GLY A 1 8.188 9.333 -3.508 1.00 1.01 H new ATOM 8 N ASN A 2 9.730 7.366 -5.332 1.00 0.45 N ATOM 9 CA ASN A 2 9.627 6.373 -6.390 1.00 0.32 C ATOM 10 C ASN A 2 8.759 5.219 -5.939 1.00 0.22 C ATOM 11 O ASN A 2 8.309 5.180 -4.792 1.00 0.22 O ATOM 12 CB ASN A 2 11.012 5.866 -6.797 1.00 0.41 C ATOM 13 CG ASN A 2 11.729 6.824 -7.729 1.00 1.21 C ATOM 14 OD1 ASN A 2 11.105 7.530 -8.523 1.00 2.00 O ATOM 15 ND2 ASN A 2 13.048 6.848 -7.650 1.00 1.83 N ATOM 0 H ASN A 2 10.459 7.175 -4.645 1.00 0.45 H new ATOM 0 HA ASN A 2 9.167 6.844 -7.259 1.00 0.32 H new ATOM 0 HB2 ASN A 2 11.617 5.713 -5.903 1.00 0.41 H new ATOM 0 HB3 ASN A 2 10.912 4.896 -7.284 1.00 0.41 H new ATOM 0 HD21 ASN A 2 13.584 7.466 -8.259 1.00 1.83 H new ATOM 0 HD22 ASN A 2 13.530 6.249 -6.980 1.00 1.83 H new ATOM 22 N ALA A 3 8.503 4.298 -6.850 1.00 0.18 N ATOM 23 CA ALA A 3 7.700 3.133 -6.540 1.00 0.14 C ATOM 24 C ALA A 3 8.492 2.172 -5.671 1.00 0.15 C ATOM 25 O ALA A 3 9.442 1.534 -6.123 1.00 0.24 O ATOM 26 CB ALA A 3 7.222 2.470 -7.814 1.00 0.17 C ATOM 0 H ALA A 3 8.841 4.336 -7.812 1.00 0.18 H new ATOM 0 HA ALA A 3 6.818 3.442 -5.979 1.00 0.14 H new ATOM 0 HB1 ALA A 3 6.620 1.596 -7.566 1.00 0.17 H new ATOM 0 HB2 ALA A 3 6.619 3.175 -8.387 1.00 0.17 H new ATOM 0 HB3 ALA A 3 8.082 2.161 -8.408 1.00 0.17 H new ATOM 32 N ILE A 4 8.081 2.082 -4.422 1.00 0.10 N ATOM 33 CA ILE A 4 8.823 1.368 -3.403 1.00 0.10 C ATOM 34 C ILE A 4 8.371 -0.081 -3.299 1.00 0.09 C ATOM 35 O ILE A 4 9.030 -0.906 -2.670 1.00 0.11 O ATOM 36 CB ILE A 4 8.647 2.055 -2.039 1.00 0.11 C ATOM 37 CG1 ILE A 4 7.208 1.922 -1.541 1.00 0.12 C ATOM 38 CG2 ILE A 4 9.041 3.515 -2.145 1.00 0.14 C ATOM 39 CD1 ILE A 4 6.981 2.490 -0.159 1.00 0.15 C ATOM 0 H ILE A 4 7.217 2.505 -4.084 1.00 0.10 H new ATOM 0 HA ILE A 4 9.874 1.382 -3.690 1.00 0.10 H new ATOM 0 HB ILE A 4 9.297 1.563 -1.315 1.00 0.11 H new ATOM 0 HG12 ILE A 4 6.543 2.425 -2.243 1.00 0.12 H new ATOM 0 HG13 ILE A 4 6.931 0.868 -1.539 1.00 0.12 H new ATOM 0 HG21 ILE A 4 8.914 3.997 -1.176 1.00 0.14 H new ATOM 0 HG22 ILE A 4 10.084 3.589 -2.454 1.00 0.14 H new ATOM 0 HG23 ILE A 4 8.408 4.010 -2.882 1.00 0.14 H new ATOM 0 HD11 ILE A 4 5.936 2.357 0.122 1.00 0.15 H new ATOM 0 HD12 ILE A 4 7.618 1.971 0.557 1.00 0.15 H new ATOM 0 HD13 ILE A 4 7.225 3.552 -0.158 1.00 0.15 H new ATOM 51 N GLY A 5 7.241 -0.381 -3.907 1.00 0.09 N ATOM 52 CA GLY A 5 6.726 -1.727 -3.885 1.00 0.09 C ATOM 53 C GLY A 5 5.559 -1.882 -4.814 1.00 0.08 C ATOM 54 O GLY A 5 5.147 -0.919 -5.455 1.00 0.10 O ATOM 0 H GLY A 5 6.667 0.289 -4.419 1.00 0.09 H new ATOM 0 HA2 GLY A 5 7.514 -2.424 -4.169 1.00 0.09 H new ATOM 0 HA3 GLY A 5 6.422 -1.985 -2.871 1.00 0.09 H new ATOM 58 N PHE A 6 5.029 -3.086 -4.893 1.00 0.08 N ATOM 59 CA PHE A 6 3.976 -3.392 -5.840 1.00 0.08 C ATOM 60 C PHE A 6 2.997 -4.389 -5.241 1.00 0.09 C ATOM 61 O PHE A 6 3.367 -5.208 -4.399 1.00 0.10 O ATOM 62 CB PHE A 6 4.588 -3.952 -7.118 1.00 0.09 C ATOM 63 CG PHE A 6 5.526 -2.986 -7.791 1.00 0.11 C ATOM 64 CD1 PHE A 6 5.055 -2.045 -8.703 1.00 0.15 C ATOM 65 CD2 PHE A 6 6.880 -3.022 -7.513 1.00 0.13 C ATOM 66 CE1 PHE A 6 5.923 -1.164 -9.315 1.00 0.18 C ATOM 67 CE2 PHE A 6 7.750 -2.142 -8.127 1.00 0.16 C ATOM 68 CZ PHE A 6 7.244 -1.196 -9.041 1.00 0.20 C ATOM 0 H PHE A 6 5.312 -3.873 -4.309 1.00 0.08 H new ATOM 0 HA PHE A 6 3.431 -2.478 -6.075 1.00 0.08 H new ATOM 0 HB2 PHE A 6 5.127 -4.871 -6.885 1.00 0.09 H new ATOM 0 HB3 PHE A 6 3.790 -4.218 -7.811 1.00 0.09 H new ATOM 0 HD1 PHE A 6 4.001 -2.004 -8.933 1.00 0.15 H new ATOM 0 HD2 PHE A 6 7.262 -3.746 -6.808 1.00 0.13 H new ATOM 0 HE1 PHE A 6 5.541 -0.441 -10.021 1.00 0.18 H new ATOM 0 HE2 PHE A 6 8.807 -2.179 -7.909 1.00 0.16 H new ATOM 0 HZ PHE A 6 7.913 -0.497 -9.522 1.00 0.20 H new ATOM 78 N ILE A 7 1.752 -4.307 -5.670 1.00 0.09 N ATOM 79 CA ILE A 7 0.691 -5.143 -5.116 1.00 0.09 C ATOM 80 C ILE A 7 0.756 -6.564 -5.659 1.00 0.11 C ATOM 81 O ILE A 7 0.726 -6.775 -6.872 1.00 0.14 O ATOM 82 CB ILE A 7 -0.703 -4.575 -5.439 1.00 0.10 C ATOM 83 CG1 ILE A 7 -0.778 -3.080 -5.118 1.00 0.11 C ATOM 84 CG2 ILE A 7 -1.775 -5.339 -4.677 1.00 0.10 C ATOM 85 CD1 ILE A 7 -0.533 -2.735 -3.671 1.00 0.11 C ATOM 0 H ILE A 7 1.444 -3.669 -6.404 1.00 0.09 H new ATOM 0 HA ILE A 7 0.846 -5.152 -4.037 1.00 0.09 H new ATOM 0 HB ILE A 7 -0.879 -4.697 -6.508 1.00 0.10 H new ATOM 0 HG12 ILE A 7 -0.048 -2.553 -5.732 1.00 0.11 H new ATOM 0 HG13 ILE A 7 -1.762 -2.709 -5.405 1.00 0.11 H new ATOM 0 HG21 ILE A 7 -2.755 -4.926 -4.916 1.00 0.10 H new ATOM 0 HG22 ILE A 7 -1.745 -6.390 -4.963 1.00 0.10 H new ATOM 0 HG23 ILE A 7 -1.594 -5.249 -3.606 1.00 0.10 H new ATOM 0 HD11 ILE A 7 -0.606 -1.656 -3.537 1.00 0.11 H new ATOM 0 HD12 ILE A 7 -1.278 -3.229 -3.048 1.00 0.11 H new ATOM 0 HD13 ILE A 7 0.463 -3.070 -3.381 1.00 0.11 H new ATOM 97 N THR A 8 0.838 -7.535 -4.764 1.00 0.12 N ATOM 98 CA THR A 8 0.830 -8.933 -5.162 1.00 0.15 C ATOM 99 C THR A 8 -0.404 -9.645 -4.612 1.00 0.16 C ATOM 100 O THR A 8 -0.836 -10.668 -5.148 1.00 0.20 O ATOM 101 CB THR A 8 2.116 -9.625 -4.687 1.00 0.16 C ATOM 102 OG1 THR A 8 2.252 -9.470 -3.272 1.00 0.17 O ATOM 103 CG2 THR A 8 3.318 -9.009 -5.376 1.00 0.17 C ATOM 0 H THR A 8 0.911 -7.381 -3.758 1.00 0.12 H new ATOM 0 HA THR A 8 0.790 -8.985 -6.250 1.00 0.15 H new ATOM 0 HB THR A 8 2.061 -10.685 -4.935 1.00 0.16 H new ATOM 0 HG1 THR A 8 3.073 -9.914 -2.972 1.00 0.17 H new ATOM 0 HG21 THR A 8 4.227 -9.505 -5.034 1.00 0.17 H new ATOM 0 HG22 THR A 8 3.221 -9.132 -6.455 1.00 0.17 H new ATOM 0 HG23 THR A 8 3.371 -7.947 -5.135 1.00 0.17 H new ATOM 111 N LYS A 9 -0.973 -9.086 -3.551 1.00 0.15 N ATOM 112 CA LYS A 9 -2.263 -9.536 -3.042 1.00 0.17 C ATOM 113 C LYS A 9 -3.127 -8.344 -2.753 1.00 0.14 C ATOM 114 O LYS A 9 -2.633 -7.309 -2.318 1.00 0.17 O ATOM 115 CB LYS A 9 -2.128 -10.360 -1.765 1.00 0.22 C ATOM 116 CG LYS A 9 -2.691 -11.756 -1.890 1.00 0.33 C ATOM 117 CD LYS A 9 -4.211 -11.776 -1.804 1.00 1.11 C ATOM 118 CE LYS A 9 -4.757 -13.180 -2.020 1.00 1.47 C ATOM 119 NZ LYS A 9 -6.237 -13.239 -1.884 1.00 2.36 N ATOM 0 H LYS A 9 -0.559 -8.317 -3.024 1.00 0.15 H new ATOM 0 HA LYS A 9 -2.710 -10.170 -3.808 1.00 0.17 H new ATOM 0 HB2 LYS A 9 -1.075 -10.424 -1.492 1.00 0.22 H new ATOM 0 HB3 LYS A 9 -2.637 -9.842 -0.952 1.00 0.22 H new ATOM 0 HG2 LYS A 9 -2.377 -12.188 -2.840 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -2.276 -12.384 -1.102 1.00 0.33 H new ATOM 0 HD2 LYS A 9 -4.527 -11.406 -0.829 1.00 1.11 H new ATOM 0 HD3 LYS A 9 -4.629 -11.102 -2.551 1.00 1.11 H new ATOM 0 HE2 LYS A 9 -4.472 -13.529 -3.012 1.00 1.47 H new ATOM 0 HE3 LYS A 9 -4.301 -13.859 -1.300 1.00 1.47 H new ATOM 0 HZ1 LYS A 9 -6.561 -14.215 -2.040 1.00 2.36 H new ATOM 0 HZ2 LYS A 9 -6.510 -12.931 -0.929 1.00 2.36 H new ATOM 0 HZ3 LYS A 9 -6.676 -12.612 -2.588 1.00 2.36 H new ATOM 133 N LEU A 10 -4.405 -8.488 -2.993 1.00 0.13 N ATOM 134 CA LEU A 10 -5.343 -7.429 -2.714 1.00 0.13 C ATOM 135 C LEU A 10 -6.734 -7.996 -2.519 1.00 0.13 C ATOM 136 O LEU A 10 -7.133 -8.940 -3.205 1.00 0.17 O ATOM 137 CB LEU A 10 -5.313 -6.405 -3.840 1.00 0.13 C ATOM 138 CG LEU A 10 -6.367 -5.310 -3.760 1.00 0.16 C ATOM 139 CD1 LEU A 10 -5.795 -4.011 -4.278 1.00 0.20 C ATOM 140 CD2 LEU A 10 -7.598 -5.700 -4.560 1.00 0.18 C ATOM 0 H LEU A 10 -4.823 -9.333 -3.383 1.00 0.13 H new ATOM 0 HA LEU A 10 -5.058 -6.928 -1.789 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -4.329 -5.937 -3.855 1.00 0.13 H new ATOM 0 HB3 LEU A 10 -5.431 -6.930 -4.788 1.00 0.13 H new ATOM 0 HG LEU A 10 -6.661 -5.178 -2.719 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -6.553 -3.230 -4.219 1.00 0.20 H new ATOM 0 HD12 LEU A 10 -4.933 -3.726 -3.674 1.00 0.20 H new ATOM 0 HD13 LEU A 10 -5.485 -4.138 -5.315 1.00 0.20 H new ATOM 0 HD21 LEU A 10 -8.342 -4.906 -4.493 1.00 0.18 H new ATOM 0 HD22 LEU A 10 -7.321 -5.850 -5.604 1.00 0.18 H new ATOM 0 HD23 LEU A 10 -8.015 -6.624 -4.159 1.00 0.18 H new ATOM 152 N ASP A 11 -7.459 -7.424 -1.575 1.00 0.14 N ATOM 153 CA ASP A 11 -8.789 -7.906 -1.249 1.00 0.16 C ATOM 154 C ASP A 11 -9.631 -6.795 -0.644 1.00 0.16 C ATOM 155 O ASP A 11 -9.094 -5.816 -0.120 1.00 0.19 O ATOM 156 CB ASP A 11 -8.696 -9.053 -0.247 1.00 0.25 C ATOM 157 CG ASP A 11 -9.905 -9.967 -0.299 1.00 1.08 C ATOM 158 OD1 ASP A 11 -9.854 -11.002 -0.995 1.00 1.94 O ATOM 159 OD2 ASP A 11 -10.919 -9.653 0.357 1.00 1.41 O ATOM 0 H ASP A 11 -7.150 -6.626 -1.021 1.00 0.14 H new ATOM 0 HA ASP A 11 -9.258 -8.251 -2.170 1.00 0.16 H new ATOM 0 HB2 ASP A 11 -7.796 -9.634 -0.447 1.00 0.25 H new ATOM 0 HB3 ASP A 11 -8.595 -8.646 0.759 1.00 0.25 H new ATOM 164 N GLY A 12 -10.945 -6.965 -0.710 1.00 0.23 N ATOM 165 CA GLY A 12 -11.856 -6.030 -0.087 1.00 0.23 C ATOM 166 C GLY A 12 -11.868 -4.677 -0.760 1.00 0.20 C ATOM 167 O GLY A 12 -11.803 -4.581 -1.990 1.00 0.27 O ATOM 0 H GLY A 12 -11.398 -7.743 -1.190 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -12.863 -6.447 -0.104 1.00 0.23 H new ATOM 0 HA3 GLY A 12 -11.580 -5.906 0.960 1.00 0.23 H new ATOM 171 N SER A 13 -11.945 -3.636 0.046 1.00 0.18 N ATOM 172 CA SER A 13 -11.996 -2.278 -0.456 1.00 0.18 C ATOM 173 C SER A 13 -10.716 -1.553 -0.074 1.00 0.15 C ATOM 174 O SER A 13 -10.362 -1.496 1.105 1.00 0.19 O ATOM 175 CB SER A 13 -13.219 -1.558 0.118 1.00 0.23 C ATOM 176 OG SER A 13 -13.438 -0.313 -0.523 1.00 1.16 O ATOM 0 H SER A 13 -11.974 -3.708 1.063 1.00 0.18 H new ATOM 0 HA SER A 13 -12.084 -2.289 -1.542 1.00 0.18 H new ATOM 0 HB2 SER A 13 -14.101 -2.188 0.002 1.00 0.23 H new ATOM 0 HB3 SER A 13 -13.080 -1.398 1.187 1.00 0.23 H new ATOM 0 HG SER A 13 -14.227 0.120 -0.135 1.00 1.16 H new ATOM 182 N VAL A 14 -10.001 -1.031 -1.063 1.00 0.13 N ATOM 183 CA VAL A 14 -8.731 -0.371 -0.798 1.00 0.12 C ATOM 184 C VAL A 14 -8.604 0.934 -1.582 1.00 0.11 C ATOM 185 O VAL A 14 -9.188 1.105 -2.655 1.00 0.13 O ATOM 186 CB VAL A 14 -7.518 -1.269 -1.126 1.00 0.16 C ATOM 187 CG1 VAL A 14 -7.679 -2.662 -0.539 1.00 0.19 C ATOM 188 CG2 VAL A 14 -7.295 -1.330 -2.621 1.00 0.20 C ATOM 0 H VAL A 14 -10.276 -1.052 -2.045 1.00 0.13 H new ATOM 0 HA VAL A 14 -8.726 -0.158 0.271 1.00 0.12 H new ATOM 0 HB VAL A 14 -6.636 -0.824 -0.664 1.00 0.16 H new ATOM 0 HG11 VAL A 14 -6.807 -3.266 -0.790 1.00 0.19 H new ATOM 0 HG12 VAL A 14 -7.772 -2.592 0.545 1.00 0.19 H new ATOM 0 HG13 VAL A 14 -8.574 -3.129 -0.950 1.00 0.19 H new ATOM 0 HG21 VAL A 14 -6.437 -1.967 -2.835 1.00 0.20 H new ATOM 0 HG22 VAL A 14 -8.181 -1.741 -3.105 1.00 0.20 H new ATOM 0 HG23 VAL A 14 -7.106 -0.326 -3.002 1.00 0.20 H new ATOM 198 N THR A 15 -7.835 1.840 -1.019 1.00 0.10 N ATOM 199 CA THR A 15 -7.575 3.147 -1.596 1.00 0.10 C ATOM 200 C THR A 15 -6.204 3.620 -1.144 1.00 0.10 C ATOM 201 O THR A 15 -5.689 3.123 -0.147 1.00 0.10 O ATOM 202 CB THR A 15 -8.641 4.174 -1.160 1.00 0.13 C ATOM 203 OG1 THR A 15 -9.454 3.623 -0.112 1.00 0.17 O ATOM 204 CG2 THR A 15 -9.522 4.575 -2.331 1.00 0.17 C ATOM 0 H THR A 15 -7.362 1.688 -0.128 1.00 0.10 H new ATOM 0 HA THR A 15 -7.611 3.062 -2.682 1.00 0.10 H new ATOM 0 HB THR A 15 -8.126 5.062 -0.794 1.00 0.13 H new ATOM 0 HG1 THR A 15 -8.902 3.058 0.468 1.00 0.17 H new ATOM 0 HG21 THR A 15 -10.265 5.299 -1.996 1.00 0.17 H new ATOM 0 HG22 THR A 15 -8.907 5.020 -3.113 1.00 0.17 H new ATOM 0 HG23 THR A 15 -10.027 3.693 -2.725 1.00 0.17 H new ATOM 212 N VAL A 16 -5.596 4.542 -1.866 1.00 0.10 N ATOM 213 CA VAL A 16 -4.350 5.126 -1.397 1.00 0.11 C ATOM 214 C VAL A 16 -4.347 6.634 -1.597 1.00 0.11 C ATOM 215 O VAL A 16 -4.776 7.141 -2.631 1.00 0.12 O ATOM 216 CB VAL A 16 -3.102 4.485 -2.058 1.00 0.12 C ATOM 217 CG1 VAL A 16 -2.726 5.158 -3.362 1.00 0.12 C ATOM 218 CG2 VAL A 16 -1.921 4.503 -1.104 1.00 0.16 C ATOM 0 H VAL A 16 -5.933 4.898 -2.760 1.00 0.10 H new ATOM 0 HA VAL A 16 -4.289 4.912 -0.330 1.00 0.11 H new ATOM 0 HB VAL A 16 -3.365 3.452 -2.288 1.00 0.12 H new ATOM 0 HG11 VAL A 16 -1.846 4.671 -3.783 1.00 0.12 H new ATOM 0 HG12 VAL A 16 -3.555 5.079 -4.065 1.00 0.12 H new ATOM 0 HG13 VAL A 16 -2.505 6.209 -3.178 1.00 0.12 H new ATOM 0 HG21 VAL A 16 -1.056 4.049 -1.587 1.00 0.16 H new ATOM 0 HG22 VAL A 16 -1.687 5.533 -0.834 1.00 0.16 H new ATOM 0 HG23 VAL A 16 -2.171 3.940 -0.205 1.00 0.16 H new ATOM 228 N GLN A 17 -3.900 7.330 -0.572 1.00 0.12 N ATOM 229 CA GLN A 17 -3.771 8.773 -0.589 1.00 0.12 C ATOM 230 C GLN A 17 -2.316 9.153 -0.772 1.00 0.13 C ATOM 231 O GLN A 17 -1.542 9.126 0.180 1.00 0.13 O ATOM 232 CB GLN A 17 -4.299 9.352 0.725 1.00 0.14 C ATOM 233 CG GLN A 17 -5.610 10.090 0.572 1.00 0.21 C ATOM 234 CD GLN A 17 -6.169 10.572 1.894 1.00 0.29 C ATOM 235 OE1 GLN A 17 -5.425 10.877 2.823 1.00 0.50 O ATOM 236 NE2 GLN A 17 -7.486 10.633 1.991 1.00 0.51 N ATOM 0 H GLN A 17 -3.612 6.903 0.309 1.00 0.12 H new ATOM 0 HA GLN A 17 -4.352 9.178 -1.417 1.00 0.12 H new ATOM 0 HB2 GLN A 17 -4.428 8.543 1.444 1.00 0.14 H new ATOM 0 HB3 GLN A 17 -3.554 10.031 1.139 1.00 0.14 H new ATOM 0 HG2 GLN A 17 -5.466 10.944 -0.090 1.00 0.21 H new ATOM 0 HG3 GLN A 17 -6.337 9.435 0.092 1.00 0.21 H new ATOM 0 HE21 GLN A 17 -8.069 10.371 1.196 1.00 0.51 H new ATOM 0 HE22 GLN A 17 -7.920 10.942 2.861 1.00 0.51 H new ATOM 245 N SER A 18 -1.943 9.497 -1.993 1.00 0.16 N ATOM 246 CA SER A 18 -0.563 9.852 -2.292 1.00 0.21 C ATOM 247 C SER A 18 -0.128 11.071 -1.474 1.00 0.24 C ATOM 248 O SER A 18 -0.950 11.662 -0.775 1.00 0.25 O ATOM 249 CB SER A 18 -0.406 10.109 -3.791 1.00 0.28 C ATOM 250 OG SER A 18 -0.773 8.960 -4.539 1.00 1.25 O ATOM 0 H SER A 18 -2.574 9.538 -2.793 1.00 0.16 H new ATOM 0 HA SER A 18 0.085 9.020 -2.014 1.00 0.21 H new ATOM 0 HB2 SER A 18 -1.027 10.955 -4.087 1.00 0.28 H new ATOM 0 HB3 SER A 18 0.627 10.378 -4.012 1.00 0.28 H new ATOM 0 HG SER A 18 -0.016 8.339 -4.578 1.00 1.25 H new ATOM 256 N ILE A 19 1.137 11.456 -1.544 1.00 0.29 N ATOM 257 CA ILE A 19 1.634 12.547 -0.700 1.00 0.33 C ATOM 258 C ILE A 19 0.879 13.855 -0.948 1.00 0.40 C ATOM 259 O ILE A 19 0.750 14.693 -0.052 1.00 0.59 O ATOM 260 CB ILE A 19 3.141 12.783 -0.885 1.00 0.37 C ATOM 261 CG1 ILE A 19 3.483 13.055 -2.350 1.00 0.44 C ATOM 262 CG2 ILE A 19 3.926 11.591 -0.362 1.00 0.37 C ATOM 263 CD1 ILE A 19 4.971 13.158 -2.606 1.00 0.53 C ATOM 0 H ILE A 19 1.833 11.041 -2.164 1.00 0.29 H new ATOM 0 HA ILE A 19 1.456 12.231 0.328 1.00 0.33 H new ATOM 0 HB ILE A 19 3.421 13.666 -0.311 1.00 0.37 H new ATOM 0 HG12 ILE A 19 3.069 12.257 -2.967 1.00 0.44 H new ATOM 0 HG13 ILE A 19 3.002 13.982 -2.663 1.00 0.44 H new ATOM 0 HG21 ILE A 19 4.993 11.770 -0.498 1.00 0.37 H new ATOM 0 HG22 ILE A 19 3.714 11.453 0.698 1.00 0.37 H new ATOM 0 HG23 ILE A 19 3.635 10.695 -0.910 1.00 0.37 H new ATOM 0 HD11 ILE A 19 5.146 13.352 -3.664 1.00 0.53 H new ATOM 0 HD12 ILE A 19 5.386 13.974 -2.014 1.00 0.53 H new ATOM 0 HD13 ILE A 19 5.454 12.223 -2.324 1.00 0.53 H new ATOM 275 N ASN A 20 0.363 14.009 -2.159 1.00 0.40 N ATOM 276 CA ASN A 20 -0.425 15.183 -2.522 1.00 0.46 C ATOM 277 C ASN A 20 -1.845 15.085 -1.960 1.00 0.40 C ATOM 278 O ASN A 20 -2.615 16.042 -2.021 1.00 0.49 O ATOM 279 CB ASN A 20 -0.458 15.354 -4.047 1.00 0.56 C ATOM 280 CG ASN A 20 -0.795 14.066 -4.781 1.00 0.95 C ATOM 281 OD1 ASN A 20 -1.507 13.206 -4.263 1.00 1.96 O ATOM 282 ND2 ASN A 20 -0.269 13.919 -5.985 1.00 0.83 N ATOM 0 H ASN A 20 0.476 13.332 -2.913 1.00 0.40 H new ATOM 0 HA ASN A 20 0.050 16.061 -2.084 1.00 0.46 H new ATOM 0 HB2 ASN A 20 -1.193 16.116 -4.306 1.00 0.56 H new ATOM 0 HB3 ASN A 20 0.512 15.717 -4.388 1.00 0.56 H new ATOM 0 HD21 ASN A 20 -0.448 13.069 -6.520 1.00 0.83 H new ATOM 0 HD22 ASN A 20 0.316 14.656 -6.379 1.00 0.83 H new ATOM 289 N GLY A 21 -2.186 13.919 -1.428 1.00 0.31 N ATOM 290 CA GLY A 21 -3.472 13.732 -0.777 1.00 0.29 C ATOM 291 C GLY A 21 -4.497 13.121 -1.698 1.00 0.27 C ATOM 292 O GLY A 21 -5.655 12.937 -1.322 1.00 0.32 O ATOM 0 H GLY A 21 -1.590 13.091 -1.435 1.00 0.31 H new ATOM 0 HA2 GLY A 21 -3.345 13.092 0.096 1.00 0.29 H new ATOM 0 HA3 GLY A 21 -3.838 14.694 -0.417 1.00 0.29 H new ATOM 296 N GLN A 22 -4.069 12.797 -2.905 1.00 0.26 N ATOM 297 CA GLN A 22 -4.954 12.212 -3.894 1.00 0.25 C ATOM 298 C GLN A 22 -5.243 10.753 -3.581 1.00 0.19 C ATOM 299 O GLN A 22 -4.324 9.936 -3.482 1.00 0.18 O ATOM 300 CB GLN A 22 -4.346 12.329 -5.286 1.00 0.32 C ATOM 301 CG GLN A 22 -4.431 13.727 -5.876 1.00 0.48 C ATOM 302 CD GLN A 22 -3.985 13.776 -7.324 1.00 1.39 C ATOM 303 OE1 GLN A 22 -3.060 12.903 -7.694 1.00 2.21 O flip ATOM 304 NE2 GLN A 22 -4.466 14.593 -8.107 1.00 2.08 N flip ATOM 0 H GLN A 22 -3.109 12.930 -3.224 1.00 0.26 H new ATOM 0 HA GLN A 22 -5.894 12.763 -3.864 1.00 0.25 H new ATOM 0 HB2 GLN A 22 -3.300 12.026 -5.242 1.00 0.32 H new ATOM 0 HB3 GLN A 22 -4.852 11.631 -5.953 1.00 0.32 H new ATOM 0 HG2 GLN A 22 -5.457 14.086 -5.803 1.00 0.48 H new ATOM 0 HG3 GLN A 22 -3.814 14.405 -5.286 1.00 0.48 H new ATOM 0 HE21 GLN A 22 -5.177 15.250 -7.786 1.00 2.08 H new ATOM 0 HE22 GLN A 22 -4.154 14.614 -9.078 1.00 2.08 H new ATOM 313 N GLU A 23 -6.518 10.437 -3.423 1.00 0.21 N ATOM 314 CA GLU A 23 -6.950 9.075 -3.165 1.00 0.16 C ATOM 315 C GLU A 23 -7.290 8.375 -4.473 1.00 0.19 C ATOM 316 O GLU A 23 -8.111 8.859 -5.254 1.00 0.28 O ATOM 317 CB GLU A 23 -8.158 9.075 -2.225 1.00 0.19 C ATOM 318 CG GLU A 23 -8.895 7.763 -2.149 1.00 0.58 C ATOM 319 CD GLU A 23 -10.145 7.862 -1.300 1.00 0.78 C ATOM 320 OE1 GLU A 23 -11.211 8.199 -1.849 1.00 1.00 O ATOM 321 OE2 GLU A 23 -10.068 7.594 -0.083 1.00 0.97 O ATOM 0 H GLU A 23 -7.279 11.115 -3.470 1.00 0.21 H new ATOM 0 HA GLU A 23 -6.137 8.531 -2.684 1.00 0.16 H new ATOM 0 HB2 GLU A 23 -7.823 9.347 -1.224 1.00 0.19 H new ATOM 0 HB3 GLU A 23 -8.854 9.849 -2.549 1.00 0.19 H new ATOM 0 HG2 GLU A 23 -9.165 7.440 -3.155 1.00 0.58 H new ATOM 0 HG3 GLU A 23 -8.235 7.000 -1.735 1.00 0.58 H new ATOM 328 N ARG A 24 -6.634 7.254 -4.725 1.00 0.21 N ATOM 329 CA ARG A 24 -6.939 6.446 -5.894 1.00 0.30 C ATOM 330 C ARG A 24 -7.301 5.043 -5.459 1.00 0.27 C ATOM 331 O ARG A 24 -7.055 4.654 -4.314 1.00 0.33 O ATOM 332 CB ARG A 24 -5.749 6.386 -6.852 1.00 0.43 C ATOM 333 CG ARG A 24 -4.638 5.454 -6.404 1.00 0.45 C ATOM 334 CD ARG A 24 -3.417 5.578 -7.300 1.00 0.51 C ATOM 335 NE ARG A 24 -2.450 4.515 -7.049 1.00 0.66 N ATOM 336 CZ ARG A 24 -1.274 4.691 -6.447 1.00 0.75 C ATOM 337 NH1 ARG A 24 -0.896 5.902 -6.069 1.00 1.55 N ATOM 338 NH2 ARG A 24 -0.475 3.655 -6.235 1.00 1.22 N ATOM 0 H ARG A 24 -5.888 6.883 -4.137 1.00 0.21 H new ATOM 0 HA ARG A 24 -7.778 6.906 -6.415 1.00 0.30 H new ATOM 0 HB2 ARG A 24 -6.102 6.068 -7.833 1.00 0.43 H new ATOM 0 HB3 ARG A 24 -5.341 7.390 -6.970 1.00 0.43 H new ATOM 0 HG2 ARG A 24 -4.361 5.683 -5.375 1.00 0.45 H new ATOM 0 HG3 ARG A 24 -4.997 4.425 -6.416 1.00 0.45 H new ATOM 0 HD2 ARG A 24 -3.728 5.547 -8.344 1.00 0.51 H new ATOM 0 HD3 ARG A 24 -2.943 6.546 -7.137 1.00 0.51 H new ATOM 0 HE ARG A 24 -2.690 3.572 -7.355 1.00 0.66 H new ATOM 0 HH11 ARG A 24 -1.505 6.702 -6.238 1.00 1.55 H new ATOM 0 HH12 ARG A 24 0.004 6.035 -5.608 1.00 1.55 H new ATOM 0 HH21 ARG A 24 -0.760 2.722 -6.533 1.00 1.22 H new ATOM 0 HH22 ARG A 24 0.425 3.791 -5.774 1.00 1.22 H new ATOM 352 N VAL A 25 -7.864 4.281 -6.374 1.00 0.26 N ATOM 353 CA VAL A 25 -8.199 2.898 -6.088 1.00 0.25 C ATOM 354 C VAL A 25 -7.019 2.019 -6.442 1.00 0.23 C ATOM 355 O VAL A 25 -6.390 2.192 -7.489 1.00 0.32 O ATOM 356 CB VAL A 25 -9.463 2.414 -6.838 1.00 0.31 C ATOM 357 CG1 VAL A 25 -9.225 2.294 -8.338 1.00 0.35 C ATOM 358 CG2 VAL A 25 -9.949 1.088 -6.268 1.00 0.32 C ATOM 0 H VAL A 25 -8.099 4.592 -7.317 1.00 0.26 H new ATOM 0 HA VAL A 25 -8.424 2.829 -5.024 1.00 0.25 H new ATOM 0 HB VAL A 25 -10.237 3.167 -6.689 1.00 0.31 H new ATOM 0 HG11 VAL A 25 -10.138 1.951 -8.825 1.00 0.35 H new ATOM 0 HG12 VAL A 25 -8.942 3.267 -8.740 1.00 0.35 H new ATOM 0 HG13 VAL A 25 -8.424 1.578 -8.523 1.00 0.35 H new ATOM 0 HG21 VAL A 25 -10.839 0.764 -6.808 1.00 0.32 H new ATOM 0 HG22 VAL A 25 -9.166 0.337 -6.375 1.00 0.32 H new ATOM 0 HG23 VAL A 25 -10.191 1.212 -5.212 1.00 0.32 H new ATOM 368 N LEU A 26 -6.694 1.107 -5.557 1.00 0.16 N ATOM 369 CA LEU A 26 -5.563 0.234 -5.784 1.00 0.15 C ATOM 370 C LEU A 26 -6.005 -1.091 -6.349 1.00 0.15 C ATOM 371 O LEU A 26 -7.136 -1.532 -6.135 1.00 0.28 O ATOM 372 CB LEU A 26 -4.751 0.027 -4.512 1.00 0.15 C ATOM 373 CG LEU A 26 -3.939 1.237 -4.072 1.00 0.17 C ATOM 374 CD1 LEU A 26 -2.748 0.788 -3.256 1.00 0.23 C ATOM 375 CD2 LEU A 26 -3.485 2.041 -5.277 1.00 0.32 C ATOM 0 H LEU A 26 -7.190 0.949 -4.680 1.00 0.16 H new ATOM 0 HA LEU A 26 -4.920 0.723 -6.516 1.00 0.15 H new ATOM 0 HB2 LEU A 26 -5.429 -0.251 -3.705 1.00 0.15 H new ATOM 0 HB3 LEU A 26 -4.073 -0.813 -4.663 1.00 0.15 H new ATOM 0 HG LEU A 26 -4.569 1.877 -3.454 1.00 0.17 H new ATOM 0 HD11 LEU A 26 -2.171 1.659 -2.944 1.00 0.23 H new ATOM 0 HD12 LEU A 26 -3.094 0.247 -2.375 1.00 0.23 H new ATOM 0 HD13 LEU A 26 -2.119 0.134 -3.860 1.00 0.23 H new ATOM 0 HD21 LEU A 26 -2.906 2.902 -4.943 1.00 0.32 H new ATOM 0 HD22 LEU A 26 -2.866 1.415 -5.920 1.00 0.32 H new ATOM 0 HD23 LEU A 26 -4.356 2.384 -5.835 1.00 0.32 H new ATOM 387 N LYS A 27 -5.102 -1.713 -7.079 1.00 0.30 N ATOM 388 CA LYS A 27 -5.392 -2.963 -7.760 1.00 0.27 C ATOM 389 C LYS A 27 -4.177 -3.850 -7.664 1.00 0.21 C ATOM 390 O LYS A 27 -3.160 -3.440 -7.117 1.00 0.26 O ATOM 391 CB LYS A 27 -5.733 -2.713 -9.232 1.00 0.42 C ATOM 392 CG LYS A 27 -6.445 -1.402 -9.471 1.00 0.61 C ATOM 393 CD LYS A 27 -6.844 -1.232 -10.913 1.00 0.83 C ATOM 394 CE LYS A 27 -7.568 0.082 -11.111 1.00 1.09 C ATOM 395 NZ LYS A 27 -8.065 0.246 -12.500 1.00 1.65 N ATOM 0 H LYS A 27 -4.151 -1.371 -7.218 1.00 0.30 H new ATOM 0 HA LYS A 27 -6.251 -3.441 -7.290 1.00 0.27 H new ATOM 0 HB2 LYS A 27 -4.814 -2.730 -9.818 1.00 0.42 H new ATOM 0 HB3 LYS A 27 -6.358 -3.529 -9.596 1.00 0.42 H new ATOM 0 HG2 LYS A 27 -7.333 -1.351 -8.841 1.00 0.61 H new ATOM 0 HG3 LYS A 27 -5.796 -0.578 -9.175 1.00 0.61 H new ATOM 0 HD2 LYS A 27 -5.959 -1.265 -11.548 1.00 0.83 H new ATOM 0 HD3 LYS A 27 -7.487 -2.058 -11.218 1.00 0.83 H new ATOM 0 HE2 LYS A 27 -8.407 0.140 -10.418 1.00 1.09 H new ATOM 0 HE3 LYS A 27 -6.896 0.905 -10.868 1.00 1.09 H new ATOM 0 HZ1 LYS A 27 -8.554 1.160 -12.588 1.00 1.65 H new ATOM 0 HZ2 LYS A 27 -7.263 0.217 -13.161 1.00 1.65 H new ATOM 0 HZ3 LYS A 27 -8.727 -0.524 -12.725 1.00 1.65 H new ATOM 409 N LEU A 28 -4.256 -5.051 -8.194 1.00 0.19 N ATOM 410 CA LEU A 28 -3.098 -5.916 -8.167 1.00 0.16 C ATOM 411 C LEU A 28 -2.066 -5.397 -9.145 1.00 0.18 C ATOM 412 O LEU A 28 -2.416 -4.869 -10.200 1.00 0.21 O ATOM 413 CB LEU A 28 -3.416 -7.357 -8.529 1.00 0.15 C ATOM 414 CG LEU A 28 -2.555 -8.369 -7.778 1.00 0.16 C ATOM 415 CD1 LEU A 28 -3.231 -8.774 -6.484 1.00 0.23 C ATOM 416 CD2 LEU A 28 -2.249 -9.582 -8.635 1.00 0.15 C ATOM 0 H LEU A 28 -5.087 -5.443 -8.638 1.00 0.19 H new ATOM 0 HA LEU A 28 -2.725 -5.908 -7.143 1.00 0.16 H new ATOM 0 HB2 LEU A 28 -4.467 -7.555 -8.317 1.00 0.15 H new ATOM 0 HB3 LEU A 28 -3.276 -7.495 -9.601 1.00 0.15 H new ATOM 0 HG LEU A 28 -1.604 -7.893 -7.539 1.00 0.16 H new ATOM 0 HD11 LEU A 28 -2.607 -9.496 -5.958 1.00 0.23 H new ATOM 0 HD12 LEU A 28 -3.374 -7.894 -5.857 1.00 0.23 H new ATOM 0 HD13 LEU A 28 -4.199 -9.224 -6.705 1.00 0.23 H new ATOM 0 HD21 LEU A 28 -1.634 -10.282 -8.069 1.00 0.15 H new ATOM 0 HD22 LEU A 28 -3.181 -10.068 -8.923 1.00 0.15 H new ATOM 0 HD23 LEU A 28 -1.712 -9.269 -9.530 1.00 0.15 H new ATOM 428 N GLY A 29 -0.804 -5.527 -8.796 1.00 0.19 N ATOM 429 CA GLY A 29 0.243 -5.091 -9.684 1.00 0.21 C ATOM 430 C GLY A 29 0.456 -3.591 -9.631 1.00 0.19 C ATOM 431 O GLY A 29 1.389 -3.070 -10.248 1.00 0.24 O ATOM 0 H GLY A 29 -0.484 -5.927 -7.914 1.00 0.19 H new ATOM 0 HA2 GLY A 29 1.172 -5.597 -9.422 1.00 0.21 H new ATOM 0 HA3 GLY A 29 -0.003 -5.385 -10.704 1.00 0.21 H new ATOM 435 N ASP A 30 -0.407 -2.892 -8.896 1.00 0.19 N ATOM 436 CA ASP A 30 -0.294 -1.447 -8.761 1.00 0.16 C ATOM 437 C ASP A 30 0.917 -1.093 -7.911 1.00 0.13 C ATOM 438 O ASP A 30 1.282 -1.815 -6.982 1.00 0.16 O ATOM 439 CB ASP A 30 -1.599 -0.833 -8.207 1.00 0.21 C ATOM 440 CG ASP A 30 -1.416 0.139 -7.077 1.00 1.17 C ATOM 441 OD1 ASP A 30 -1.689 -0.262 -5.940 1.00 1.92 O ATOM 442 OD2 ASP A 30 -1.074 1.314 -7.334 1.00 1.48 O ATOM 0 H ASP A 30 -1.189 -3.304 -8.387 1.00 0.19 H new ATOM 0 HA ASP A 30 -0.143 -1.013 -9.749 1.00 0.16 H new ATOM 0 HB2 ASP A 30 -2.118 -0.327 -9.021 1.00 0.21 H new ATOM 0 HB3 ASP A 30 -2.248 -1.641 -7.869 1.00 0.21 H new ATOM 447 N PRO A 31 1.588 -0.009 -8.283 1.00 0.12 N ATOM 448 CA PRO A 31 2.831 0.424 -7.659 1.00 0.12 C ATOM 449 C PRO A 31 2.620 1.324 -6.440 1.00 0.13 C ATOM 450 O PRO A 31 1.907 2.323 -6.500 1.00 0.22 O ATOM 451 CB PRO A 31 3.470 1.199 -8.800 1.00 0.19 C ATOM 452 CG PRO A 31 2.312 1.887 -9.439 1.00 0.19 C ATOM 453 CD PRO A 31 1.182 0.898 -9.370 1.00 0.18 C ATOM 0 HA PRO A 31 3.421 -0.403 -7.264 1.00 0.12 H new ATOM 0 HB2 PRO A 31 4.211 1.911 -8.437 1.00 0.19 H new ATOM 0 HB3 PRO A 31 3.980 0.537 -9.500 1.00 0.19 H new ATOM 0 HG2 PRO A 31 2.062 2.809 -8.913 1.00 0.19 H new ATOM 0 HG3 PRO A 31 2.535 2.159 -10.471 1.00 0.19 H new ATOM 0 HD2 PRO A 31 0.233 1.387 -9.152 1.00 0.18 H new ATOM 0 HD3 PRO A 31 1.057 0.365 -10.312 1.00 0.18 H new ATOM 461 N ILE A 32 3.261 0.972 -5.344 1.00 0.10 N ATOM 462 CA ILE A 32 3.203 1.767 -4.135 1.00 0.11 C ATOM 463 C ILE A 32 4.375 2.725 -4.096 1.00 0.11 C ATOM 464 O ILE A 32 5.498 2.352 -4.415 1.00 0.12 O ATOM 465 CB ILE A 32 3.226 0.876 -2.878 1.00 0.11 C ATOM 466 CG1 ILE A 32 1.942 0.059 -2.789 1.00 0.11 C ATOM 467 CG2 ILE A 32 3.423 1.704 -1.621 1.00 0.13 C ATOM 468 CD1 ILE A 32 0.695 0.895 -2.601 1.00 0.13 C ATOM 0 H ILE A 32 3.834 0.132 -5.266 1.00 0.10 H new ATOM 0 HA ILE A 32 2.267 2.325 -4.142 1.00 0.11 H new ATOM 0 HB ILE A 32 4.071 0.193 -2.960 1.00 0.11 H new ATOM 0 HG12 ILE A 32 1.837 -0.534 -3.698 1.00 0.11 H new ATOM 0 HG13 ILE A 32 2.026 -0.642 -1.959 1.00 0.11 H new ATOM 0 HG21 ILE A 32 3.435 1.047 -0.751 1.00 0.13 H new ATOM 0 HG22 ILE A 32 4.370 2.241 -1.684 1.00 0.13 H new ATOM 0 HG23 ILE A 32 2.606 2.419 -1.525 1.00 0.13 H new ATOM 0 HD11 ILE A 32 -0.176 0.242 -2.547 1.00 0.13 H new ATOM 0 HD12 ILE A 32 0.777 1.468 -1.677 1.00 0.13 H new ATOM 0 HD13 ILE A 32 0.585 1.578 -3.443 1.00 0.13 H new ATOM 480 N PHE A 33 4.106 3.949 -3.708 1.00 0.12 N ATOM 481 CA PHE A 33 5.130 4.977 -3.644 1.00 0.13 C ATOM 482 C PHE A 33 5.337 5.409 -2.194 1.00 0.12 C ATOM 483 O PHE A 33 4.422 5.324 -1.372 1.00 0.14 O ATOM 484 CB PHE A 33 4.736 6.177 -4.513 1.00 0.15 C ATOM 485 CG PHE A 33 4.508 5.834 -5.963 1.00 0.17 C ATOM 486 CD1 PHE A 33 5.526 5.960 -6.895 1.00 0.19 C ATOM 487 CD2 PHE A 33 3.271 5.383 -6.389 1.00 0.25 C ATOM 488 CE1 PHE A 33 5.312 5.641 -8.224 1.00 0.22 C ATOM 489 CE2 PHE A 33 3.051 5.065 -7.714 1.00 0.29 C ATOM 490 CZ PHE A 33 4.097 5.210 -8.641 1.00 0.25 C ATOM 0 H PHE A 33 3.177 4.264 -3.428 1.00 0.12 H new ATOM 0 HA PHE A 33 6.066 4.572 -4.028 1.00 0.13 H new ATOM 0 HB2 PHE A 33 3.827 6.623 -4.108 1.00 0.15 H new ATOM 0 HB3 PHE A 33 5.519 6.933 -4.448 1.00 0.15 H new ATOM 0 HD1 PHE A 33 6.498 6.311 -6.580 1.00 0.19 H new ATOM 0 HD2 PHE A 33 2.467 5.278 -5.675 1.00 0.25 H new ATOM 0 HE1 PHE A 33 6.120 5.736 -8.935 1.00 0.22 H new ATOM 0 HE2 PHE A 33 2.084 4.708 -8.035 1.00 0.29 H new ATOM 0 HZ PHE A 33 3.933 4.979 -9.683 1.00 0.25 H new ATOM 500 N PHE A 34 6.548 5.853 -1.881 1.00 0.11 N ATOM 501 CA PHE A 34 6.896 6.226 -0.514 1.00 0.11 C ATOM 502 C PHE A 34 6.154 7.489 -0.101 1.00 0.11 C ATOM 503 O PHE A 34 6.388 8.567 -0.650 1.00 0.18 O ATOM 504 CB PHE A 34 8.407 6.458 -0.395 1.00 0.11 C ATOM 505 CG PHE A 34 8.993 6.044 0.931 1.00 0.12 C ATOM 506 CD1 PHE A 34 8.944 6.890 2.026 1.00 0.15 C ATOM 507 CD2 PHE A 34 9.608 4.809 1.076 1.00 0.14 C ATOM 508 CE1 PHE A 34 9.492 6.512 3.238 1.00 0.17 C ATOM 509 CE2 PHE A 34 10.156 4.425 2.279 1.00 0.16 C ATOM 510 CZ PHE A 34 10.100 5.278 3.365 1.00 0.16 C ATOM 0 H PHE A 34 7.306 5.964 -2.554 1.00 0.11 H new ATOM 0 HA PHE A 34 6.604 5.410 0.147 1.00 0.11 H new ATOM 0 HB2 PHE A 34 8.911 5.909 -1.190 1.00 0.11 H new ATOM 0 HB3 PHE A 34 8.615 7.516 -0.557 1.00 0.11 H new ATOM 0 HD1 PHE A 34 8.472 7.857 1.932 1.00 0.15 H new ATOM 0 HD2 PHE A 34 9.658 4.138 0.231 1.00 0.14 H new ATOM 0 HE1 PHE A 34 9.445 7.181 4.085 1.00 0.17 H new ATOM 0 HE2 PHE A 34 10.629 3.459 2.374 1.00 0.16 H new ATOM 0 HZ PHE A 34 10.530 4.981 4.310 1.00 0.16 H new ATOM 520 N GLY A 35 5.261 7.353 0.866 1.00 0.10 N ATOM 521 CA GLY A 35 4.543 8.503 1.365 1.00 0.12 C ATOM 522 C GLY A 35 3.046 8.423 1.147 1.00 0.10 C ATOM 523 O GLY A 35 2.322 9.342 1.523 1.00 0.17 O ATOM 0 H GLY A 35 5.022 6.468 1.313 1.00 0.10 H new ATOM 0 HA2 GLY A 35 4.741 8.611 2.431 1.00 0.12 H new ATOM 0 HA3 GLY A 35 4.926 9.400 0.878 1.00 0.12 H new ATOM 527 N GLU A 36 2.558 7.341 0.549 1.00 0.12 N ATOM 528 CA GLU A 36 1.128 7.245 0.279 1.00 0.11 C ATOM 529 C GLU A 36 0.393 6.631 1.461 1.00 0.11 C ATOM 530 O GLU A 36 0.926 5.785 2.173 1.00 0.16 O ATOM 531 CB GLU A 36 0.844 6.458 -1.001 1.00 0.14 C ATOM 532 CG GLU A 36 1.682 6.907 -2.172 1.00 0.17 C ATOM 533 CD GLU A 36 1.339 6.189 -3.454 1.00 0.28 C ATOM 534 OE1 GLU A 36 1.570 4.968 -3.542 1.00 0.28 O ATOM 535 OE2 GLU A 36 0.851 6.857 -4.390 1.00 0.52 O ATOM 0 H GLU A 36 3.113 6.539 0.249 1.00 0.12 H new ATOM 0 HA GLU A 36 0.757 8.259 0.130 1.00 0.11 H new ATOM 0 HB2 GLU A 36 1.026 5.399 -0.817 1.00 0.14 H new ATOM 0 HB3 GLU A 36 -0.211 6.560 -1.257 1.00 0.14 H new ATOM 0 HG2 GLU A 36 1.549 7.979 -2.316 1.00 0.17 H new ATOM 0 HG3 GLU A 36 2.735 6.744 -1.942 1.00 0.17 H new ATOM 542 N THR A 37 -0.825 7.083 1.665 1.00 0.11 N ATOM 543 CA THR A 37 -1.640 6.661 2.787 1.00 0.12 C ATOM 544 C THR A 37 -2.704 5.664 2.343 1.00 0.11 C ATOM 545 O THR A 37 -3.674 6.033 1.693 1.00 0.12 O ATOM 546 CB THR A 37 -2.328 7.877 3.423 1.00 0.13 C ATOM 547 OG1 THR A 37 -1.358 8.897 3.700 1.00 0.16 O ATOM 548 CG2 THR A 37 -3.033 7.485 4.703 1.00 0.14 C ATOM 0 H THR A 37 -1.283 7.759 1.053 1.00 0.11 H new ATOM 0 HA THR A 37 -0.987 6.181 3.515 1.00 0.12 H new ATOM 0 HB THR A 37 -3.068 8.260 2.720 1.00 0.13 H new ATOM 0 HG1 THR A 37 -1.803 9.671 4.104 1.00 0.16 H new ATOM 0 HG21 THR A 37 -3.514 8.362 5.137 1.00 0.14 H new ATOM 0 HG22 THR A 37 -3.787 6.728 4.486 1.00 0.14 H new ATOM 0 HG23 THR A 37 -2.307 7.082 5.409 1.00 0.14 H new ATOM 556 N VAL A 38 -2.536 4.408 2.704 1.00 0.12 N ATOM 557 CA VAL A 38 -3.449 3.372 2.248 1.00 0.12 C ATOM 558 C VAL A 38 -4.682 3.305 3.139 1.00 0.13 C ATOM 559 O VAL A 38 -4.580 3.259 4.366 1.00 0.16 O ATOM 560 CB VAL A 38 -2.781 1.986 2.202 1.00 0.15 C ATOM 561 CG1 VAL A 38 -3.619 1.028 1.367 1.00 0.15 C ATOM 562 CG2 VAL A 38 -1.368 2.084 1.651 1.00 0.16 C ATOM 0 H VAL A 38 -1.782 4.078 3.307 1.00 0.12 H new ATOM 0 HA VAL A 38 -3.743 3.643 1.234 1.00 0.12 H new ATOM 0 HB VAL A 38 -2.718 1.599 3.219 1.00 0.15 H new ATOM 0 HG11 VAL A 38 -3.137 0.051 1.341 1.00 0.15 H new ATOM 0 HG12 VAL A 38 -4.611 0.932 1.809 1.00 0.15 H new ATOM 0 HG13 VAL A 38 -3.710 1.414 0.352 1.00 0.15 H new ATOM 0 HG21 VAL A 38 -0.917 1.092 1.628 1.00 0.16 H new ATOM 0 HG22 VAL A 38 -1.399 2.492 0.641 1.00 0.16 H new ATOM 0 HG23 VAL A 38 -0.774 2.739 2.288 1.00 0.16 H new ATOM 572 N LEU A 39 -5.838 3.314 2.502 1.00 0.15 N ATOM 573 CA LEU A 39 -7.117 3.260 3.186 1.00 0.15 C ATOM 574 C LEU A 39 -7.835 1.969 2.821 1.00 0.17 C ATOM 575 O LEU A 39 -8.271 1.800 1.682 1.00 0.27 O ATOM 576 CB LEU A 39 -7.980 4.458 2.778 1.00 0.16 C ATOM 577 CG LEU A 39 -7.332 5.828 2.973 1.00 0.16 C ATOM 578 CD1 LEU A 39 -6.920 6.418 1.634 1.00 0.20 C ATOM 579 CD2 LEU A 39 -8.276 6.762 3.707 1.00 0.27 C ATOM 0 H LEU A 39 -5.917 3.359 1.486 1.00 0.15 H new ATOM 0 HA LEU A 39 -6.947 3.292 4.262 1.00 0.15 H new ATOM 0 HB2 LEU A 39 -8.250 4.349 1.728 1.00 0.16 H new ATOM 0 HB3 LEU A 39 -8.907 4.428 3.351 1.00 0.16 H new ATOM 0 HG LEU A 39 -6.435 5.704 3.580 1.00 0.16 H new ATOM 0 HD11 LEU A 39 -6.460 7.394 1.792 1.00 0.20 H new ATOM 0 HD12 LEU A 39 -6.205 5.754 1.149 1.00 0.20 H new ATOM 0 HD13 LEU A 39 -7.799 6.530 1.000 1.00 0.20 H new ATOM 0 HD21 LEU A 39 -7.799 7.733 3.837 1.00 0.27 H new ATOM 0 HD22 LEU A 39 -9.192 6.883 3.128 1.00 0.27 H new ATOM 0 HD23 LEU A 39 -8.517 6.342 4.684 1.00 0.27 H new ATOM 591 N THR A 40 -7.939 1.055 3.766 1.00 0.14 N ATOM 592 CA THR A 40 -8.631 -0.198 3.521 1.00 0.16 C ATOM 593 C THR A 40 -9.954 -0.209 4.260 1.00 0.18 C ATOM 594 O THR A 40 -10.082 0.376 5.336 1.00 0.22 O ATOM 595 CB THR A 40 -7.790 -1.421 3.943 1.00 0.20 C ATOM 596 OG1 THR A 40 -7.539 -1.406 5.353 1.00 0.23 O ATOM 597 CG2 THR A 40 -6.466 -1.450 3.196 1.00 0.22 C ATOM 0 H THR A 40 -7.556 1.154 4.706 1.00 0.14 H new ATOM 0 HA THR A 40 -8.803 -0.271 2.447 1.00 0.16 H new ATOM 0 HB THR A 40 -8.361 -2.315 3.693 1.00 0.20 H new ATOM 0 HG1 THR A 40 -7.123 -2.252 5.620 1.00 0.23 H new ATOM 0 HG21 THR A 40 -5.890 -2.321 3.510 1.00 0.22 H new ATOM 0 HG22 THR A 40 -6.654 -1.507 2.124 1.00 0.22 H new ATOM 0 HG23 THR A 40 -5.903 -0.543 3.418 1.00 0.22 H new ATOM 605 N GLY A 41 -10.940 -0.850 3.674 1.00 0.22 N ATOM 606 CA GLY A 41 -12.237 -0.938 4.293 1.00 0.27 C ATOM 607 C GLY A 41 -12.700 -2.367 4.420 1.00 0.43 C ATOM 608 O GLY A 41 -12.351 -3.207 3.588 1.00 0.90 O ATOM 0 H GLY A 41 -10.866 -1.317 2.770 1.00 0.22 H new ATOM 0 HA2 GLY A 41 -12.200 -0.478 5.281 1.00 0.27 H new ATOM 0 HA3 GLY A 41 -12.960 -0.372 3.705 1.00 0.27 H new ATOM 612 N GLY A 42 -13.453 -2.640 5.475 1.00 0.55 N ATOM 613 CA GLY A 42 -14.014 -3.958 5.694 1.00 0.61 C ATOM 614 C GLY A 42 -12.978 -5.066 5.709 1.00 0.85 C ATOM 615 O GLY A 42 -12.130 -5.129 6.601 1.00 1.79 O ATOM 0 H GLY A 42 -13.689 -1.958 6.196 1.00 0.55 H new ATOM 0 HA2 GLY A 42 -14.551 -3.962 6.643 1.00 0.61 H new ATOM 0 HA3 GLY A 42 -14.745 -4.167 4.913 1.00 0.61 H new ATOM 619 N SER A 43 -13.038 -5.922 4.701 1.00 0.67 N ATOM 620 CA SER A 43 -12.175 -7.091 4.626 1.00 0.80 C ATOM 621 C SER A 43 -10.966 -6.818 3.732 1.00 0.74 C ATOM 622 O SER A 43 -10.487 -7.704 3.023 1.00 1.24 O ATOM 623 CB SER A 43 -12.977 -8.275 4.091 1.00 1.08 C ATOM 624 OG SER A 43 -14.207 -8.400 4.789 1.00 1.64 O ATOM 0 H SER A 43 -13.682 -5.827 3.916 1.00 0.67 H new ATOM 0 HA SER A 43 -11.805 -7.324 5.624 1.00 0.80 H new ATOM 0 HB2 SER A 43 -13.169 -8.140 3.026 1.00 1.08 H new ATOM 0 HB3 SER A 43 -12.397 -9.192 4.197 1.00 1.08 H new ATOM 0 HG SER A 43 -14.709 -9.162 4.433 1.00 1.64 H new ATOM 630 N GLY A 44 -10.495 -5.578 3.765 1.00 0.41 N ATOM 631 CA GLY A 44 -9.316 -5.201 3.013 1.00 0.35 C ATOM 632 C GLY A 44 -8.100 -6.030 3.394 1.00 0.44 C ATOM 633 O GLY A 44 -7.856 -6.272 4.573 1.00 0.89 O ATOM 0 H GLY A 44 -10.914 -4.821 4.305 1.00 0.41 H new ATOM 0 HA2 GLY A 44 -9.514 -5.319 1.948 1.00 0.35 H new ATOM 0 HA3 GLY A 44 -9.101 -4.146 3.183 1.00 0.35 H new ATOM 637 N SER A 45 -7.369 -6.513 2.401 1.00 0.22 N ATOM 638 CA SER A 45 -6.121 -7.231 2.628 1.00 0.25 C ATOM 639 C SER A 45 -5.218 -7.068 1.420 1.00 0.27 C ATOM 640 O SER A 45 -5.614 -7.373 0.305 1.00 0.49 O ATOM 641 CB SER A 45 -6.380 -8.711 2.865 1.00 0.30 C ATOM 642 OG SER A 45 -7.272 -8.911 3.949 1.00 0.85 O ATOM 0 H SER A 45 -7.622 -6.420 1.417 1.00 0.22 H new ATOM 0 HA SER A 45 -5.641 -6.816 3.514 1.00 0.25 H new ATOM 0 HB2 SER A 45 -6.795 -9.159 1.962 1.00 0.30 H new ATOM 0 HB3 SER A 45 -5.437 -9.219 3.068 1.00 0.30 H new ATOM 0 HG SER A 45 -7.461 -8.051 4.380 1.00 0.85 H new ATOM 648 N VAL A 46 -4.015 -6.585 1.635 1.00 0.15 N ATOM 649 CA VAL A 46 -3.127 -6.251 0.525 1.00 0.13 C ATOM 650 C VAL A 46 -1.695 -6.630 0.844 1.00 0.14 C ATOM 651 O VAL A 46 -1.166 -6.253 1.884 1.00 0.25 O ATOM 652 CB VAL A 46 -3.164 -4.739 0.212 1.00 0.16 C ATOM 653 CG1 VAL A 46 -2.487 -4.433 -1.112 1.00 0.21 C ATOM 654 CG2 VAL A 46 -4.581 -4.194 0.232 1.00 0.21 C ATOM 0 H VAL A 46 -3.623 -6.412 2.561 1.00 0.15 H new ATOM 0 HA VAL A 46 -3.479 -6.814 -0.339 1.00 0.13 H new ATOM 0 HB VAL A 46 -2.606 -4.235 1.002 1.00 0.16 H new ATOM 0 HG11 VAL A 46 -2.530 -3.361 -1.303 1.00 0.21 H new ATOM 0 HG12 VAL A 46 -1.446 -4.753 -1.071 1.00 0.21 H new ATOM 0 HG13 VAL A 46 -2.999 -4.965 -1.914 1.00 0.21 H new ATOM 0 HG21 VAL A 46 -4.564 -3.128 0.007 1.00 0.21 H new ATOM 0 HG22 VAL A 46 -5.181 -4.713 -0.516 1.00 0.21 H new ATOM 0 HG23 VAL A 46 -5.017 -4.350 1.219 1.00 0.21 H new ATOM 664 N THR A 47 -1.077 -7.370 -0.052 1.00 0.14 N ATOM 665 CA THR A 47 0.326 -7.690 0.064 1.00 0.14 C ATOM 666 C THR A 47 1.130 -6.795 -0.863 1.00 0.12 C ATOM 667 O THR A 47 1.066 -6.924 -2.086 1.00 0.12 O ATOM 668 CB THR A 47 0.608 -9.161 -0.279 1.00 0.16 C ATOM 669 OG1 THR A 47 -0.122 -10.022 0.606 1.00 0.19 O ATOM 670 CG2 THR A 47 2.090 -9.466 -0.187 1.00 0.17 C ATOM 0 H THR A 47 -1.532 -7.764 -0.876 1.00 0.14 H new ATOM 0 HA THR A 47 0.620 -7.524 1.100 1.00 0.14 H new ATOM 0 HB THR A 47 0.283 -9.338 -1.304 1.00 0.16 H new ATOM 0 HG1 THR A 47 -0.053 -10.948 0.292 1.00 0.19 H new ATOM 0 HG21 THR A 47 2.262 -10.514 -0.435 1.00 0.17 H new ATOM 0 HG22 THR A 47 2.636 -8.833 -0.887 1.00 0.17 H new ATOM 0 HG23 THR A 47 2.439 -9.271 0.827 1.00 0.17 H new ATOM 678 N ILE A 48 1.844 -5.861 -0.272 1.00 0.10 N ATOM 679 CA ILE A 48 2.714 -4.981 -1.018 1.00 0.10 C ATOM 680 C ILE A 48 4.131 -5.519 -1.004 1.00 0.10 C ATOM 681 O ILE A 48 4.849 -5.406 -0.008 1.00 0.13 O ATOM 682 CB ILE A 48 2.682 -3.557 -0.441 1.00 0.11 C ATOM 683 CG1 ILE A 48 1.271 -2.997 -0.575 1.00 0.12 C ATOM 684 CG2 ILE A 48 3.692 -2.661 -1.147 1.00 0.13 C ATOM 685 CD1 ILE A 48 1.023 -1.762 0.254 1.00 0.15 C ATOM 0 H ILE A 48 1.837 -5.692 0.734 1.00 0.10 H new ATOM 0 HA ILE A 48 2.358 -4.938 -2.047 1.00 0.10 H new ATOM 0 HB ILE A 48 2.957 -3.590 0.613 1.00 0.11 H new ATOM 0 HG12 ILE A 48 1.081 -2.764 -1.623 1.00 0.12 H new ATOM 0 HG13 ILE A 48 0.556 -3.767 -0.285 1.00 0.12 H new ATOM 0 HG21 ILE A 48 3.650 -1.659 -0.721 1.00 0.13 H new ATOM 0 HG22 ILE A 48 4.694 -3.069 -1.016 1.00 0.13 H new ATOM 0 HG23 ILE A 48 3.455 -2.613 -2.210 1.00 0.13 H new ATOM 0 HD11 ILE A 48 -0.002 -1.424 0.105 1.00 0.15 H new ATOM 0 HD12 ILE A 48 1.179 -1.994 1.308 1.00 0.15 H new ATOM 0 HD13 ILE A 48 1.713 -0.975 -0.051 1.00 0.15 H new ATOM 697 N ALA A 49 4.511 -6.140 -2.101 1.00 0.09 N ATOM 698 CA ALA A 49 5.849 -6.665 -2.252 1.00 0.10 C ATOM 699 C ALA A 49 6.797 -5.532 -2.597 1.00 0.09 C ATOM 700 O ALA A 49 6.822 -5.046 -3.731 1.00 0.11 O ATOM 701 CB ALA A 49 5.874 -7.746 -3.320 1.00 0.14 C ATOM 0 H ALA A 49 3.905 -6.294 -2.907 1.00 0.09 H new ATOM 0 HA ALA A 49 6.172 -7.118 -1.315 1.00 0.10 H new ATOM 0 HB1 ALA A 49 6.888 -8.132 -3.423 1.00 0.14 H new ATOM 0 HB2 ALA A 49 5.204 -8.557 -3.033 1.00 0.14 H new ATOM 0 HB3 ALA A 49 5.548 -7.325 -4.271 1.00 0.14 H new ATOM 707 N PHE A 50 7.550 -5.096 -1.603 1.00 0.09 N ATOM 708 CA PHE A 50 8.471 -3.988 -1.768 1.00 0.10 C ATOM 709 C PHE A 50 9.585 -4.340 -2.732 1.00 0.12 C ATOM 710 O PHE A 50 9.958 -5.505 -2.891 1.00 0.16 O ATOM 711 CB PHE A 50 9.055 -3.565 -0.425 1.00 0.11 C ATOM 712 CG PHE A 50 8.036 -2.967 0.496 1.00 0.13 C ATOM 713 CD1 PHE A 50 7.746 -3.564 1.709 1.00 0.27 C ATOM 714 CD2 PHE A 50 7.359 -1.810 0.141 1.00 0.22 C ATOM 715 CE1 PHE A 50 6.800 -3.022 2.547 1.00 0.32 C ATOM 716 CE2 PHE A 50 6.412 -1.263 0.979 1.00 0.28 C ATOM 717 CZ PHE A 50 6.131 -1.871 2.183 1.00 0.28 C ATOM 0 H PHE A 50 7.540 -5.497 -0.665 1.00 0.09 H new ATOM 0 HA PHE A 50 7.909 -3.152 -2.185 1.00 0.10 H new ATOM 0 HB2 PHE A 50 9.508 -4.432 0.057 1.00 0.11 H new ATOM 0 HB3 PHE A 50 9.853 -2.841 -0.594 1.00 0.11 H new ATOM 0 HD1 PHE A 50 8.267 -4.464 2.001 1.00 0.27 H new ATOM 0 HD2 PHE A 50 7.576 -1.332 -0.803 1.00 0.22 H new ATOM 0 HE1 PHE A 50 6.580 -3.498 3.491 1.00 0.32 H new ATOM 0 HE2 PHE A 50 5.892 -0.361 0.693 1.00 0.28 H new ATOM 0 HZ PHE A 50 5.388 -1.447 2.842 1.00 0.28 H new ATOM 727 N VAL A 51 10.111 -3.312 -3.362 1.00 0.11 N ATOM 728 CA VAL A 51 11.073 -3.461 -4.431 1.00 0.14 C ATOM 729 C VAL A 51 12.473 -3.750 -3.872 1.00 0.16 C ATOM 730 O VAL A 51 13.424 -3.982 -4.618 1.00 0.25 O ATOM 731 CB VAL A 51 11.068 -2.187 -5.306 1.00 0.15 C ATOM 732 CG1 VAL A 51 11.799 -1.040 -4.630 1.00 0.16 C ATOM 733 CG2 VAL A 51 11.626 -2.465 -6.683 1.00 0.19 C ATOM 0 H VAL A 51 9.881 -2.342 -3.145 1.00 0.11 H new ATOM 0 HA VAL A 51 10.792 -4.313 -5.050 1.00 0.14 H new ATOM 0 HB VAL A 51 10.030 -1.879 -5.428 1.00 0.15 H new ATOM 0 HG11 VAL A 51 11.774 -0.162 -5.275 1.00 0.16 H new ATOM 0 HG12 VAL A 51 11.314 -0.807 -3.682 1.00 0.16 H new ATOM 0 HG13 VAL A 51 12.835 -1.326 -4.447 1.00 0.16 H new ATOM 0 HG21 VAL A 51 11.609 -1.549 -7.274 1.00 0.19 H new ATOM 0 HG22 VAL A 51 12.652 -2.821 -6.595 1.00 0.19 H new ATOM 0 HG23 VAL A 51 11.019 -3.226 -7.175 1.00 0.19 H new ATOM 743 N ASP A 52 12.574 -3.749 -2.544 1.00 0.17 N ATOM 744 CA ASP A 52 13.825 -4.062 -1.852 1.00 0.21 C ATOM 745 C ASP A 52 13.968 -5.568 -1.666 1.00 0.24 C ATOM 746 O ASP A 52 15.069 -6.085 -1.487 1.00 0.33 O ATOM 747 CB ASP A 52 13.846 -3.388 -0.476 1.00 0.28 C ATOM 748 CG ASP A 52 15.191 -3.487 0.214 1.00 0.56 C ATOM 749 OD1 ASP A 52 15.399 -4.446 0.988 1.00 0.75 O ATOM 750 OD2 ASP A 52 16.043 -2.597 0.002 1.00 0.72 O ATOM 0 H ASP A 52 11.797 -3.533 -1.920 1.00 0.17 H new ATOM 0 HA ASP A 52 14.652 -3.692 -2.458 1.00 0.21 H new ATOM 0 HB2 ASP A 52 13.579 -2.337 -0.589 1.00 0.28 H new ATOM 0 HB3 ASP A 52 13.085 -3.844 0.157 1.00 0.28 H new ATOM 755 N GLY A 53 12.844 -6.269 -1.721 1.00 0.21 N ATOM 756 CA GLY A 53 12.849 -7.696 -1.480 1.00 0.26 C ATOM 757 C GLY A 53 11.983 -8.078 -0.296 1.00 0.24 C ATOM 758 O GLY A 53 11.704 -9.253 -0.074 1.00 0.27 O ATOM 0 H GLY A 53 11.927 -5.873 -1.929 1.00 0.21 H new ATOM 0 HA2 GLY A 53 12.494 -8.215 -2.370 1.00 0.26 H new ATOM 0 HA3 GLY A 53 13.872 -8.030 -1.303 1.00 0.26 H new ATOM 762 N THR A 54 11.562 -7.083 0.468 1.00 0.22 N ATOM 763 CA THR A 54 10.673 -7.304 1.596 1.00 0.22 C ATOM 764 C THR A 54 9.213 -7.254 1.148 1.00 0.19 C ATOM 765 O THR A 54 8.904 -6.684 0.105 1.00 0.25 O ATOM 766 CB THR A 54 10.919 -6.250 2.692 1.00 0.26 C ATOM 767 OG1 THR A 54 11.260 -4.990 2.090 1.00 0.29 O ATOM 768 CG2 THR A 54 12.030 -6.692 3.629 1.00 0.36 C ATOM 0 H THR A 54 11.824 -6.108 0.325 1.00 0.22 H new ATOM 0 HA THR A 54 10.882 -8.293 2.003 1.00 0.22 H new ATOM 0 HB THR A 54 10.004 -6.138 3.273 1.00 0.26 H new ATOM 0 HG1 THR A 54 11.775 -4.452 2.727 1.00 0.29 H new ATOM 0 HG21 THR A 54 12.185 -5.931 4.394 1.00 0.36 H new ATOM 0 HG22 THR A 54 11.753 -7.633 4.104 1.00 0.36 H new ATOM 0 HG23 THR A 54 12.951 -6.829 3.062 1.00 0.36 H new ATOM 776 N ASP A 55 8.322 -7.869 1.916 1.00 0.21 N ATOM 777 CA ASP A 55 6.895 -7.830 1.598 1.00 0.19 C ATOM 778 C ASP A 55 6.119 -7.292 2.791 1.00 0.25 C ATOM 779 O ASP A 55 6.615 -7.304 3.918 1.00 0.44 O ATOM 780 CB ASP A 55 6.352 -9.219 1.219 1.00 0.24 C ATOM 781 CG ASP A 55 7.174 -9.937 0.166 1.00 0.80 C ATOM 782 OD1 ASP A 55 6.906 -9.748 -1.038 1.00 1.51 O ATOM 783 OD2 ASP A 55 8.082 -10.714 0.536 1.00 0.80 O ATOM 0 H ASP A 55 8.556 -8.397 2.757 1.00 0.21 H new ATOM 0 HA ASP A 55 6.766 -7.174 0.737 1.00 0.19 H new ATOM 0 HB2 ASP A 55 6.309 -9.838 2.115 1.00 0.24 H new ATOM 0 HB3 ASP A 55 5.330 -9.111 0.856 1.00 0.24 H new ATOM 788 N VAL A 56 4.908 -6.822 2.543 1.00 0.16 N ATOM 789 CA VAL A 56 4.070 -6.263 3.596 1.00 0.21 C ATOM 790 C VAL A 56 2.614 -6.629 3.355 1.00 0.22 C ATOM 791 O VAL A 56 2.217 -6.883 2.223 1.00 0.30 O ATOM 792 CB VAL A 56 4.243 -4.721 3.669 1.00 0.27 C ATOM 793 CG1 VAL A 56 2.951 -3.966 3.370 1.00 1.39 C ATOM 794 CG2 VAL A 56 4.808 -4.307 5.017 1.00 1.29 C ATOM 0 H VAL A 56 4.480 -6.816 1.617 1.00 0.16 H new ATOM 0 HA VAL A 56 4.381 -6.685 4.552 1.00 0.21 H new ATOM 0 HB VAL A 56 4.953 -4.448 2.888 1.00 0.27 H new ATOM 0 HG11 VAL A 56 3.133 -2.893 3.436 1.00 1.39 H new ATOM 0 HG12 VAL A 56 2.608 -4.215 2.366 1.00 1.39 H new ATOM 0 HG13 VAL A 56 2.188 -4.250 4.095 1.00 1.39 H new ATOM 0 HG21 VAL A 56 4.921 -3.223 5.047 1.00 1.29 H new ATOM 0 HG22 VAL A 56 4.129 -4.623 5.809 1.00 1.29 H new ATOM 0 HG23 VAL A 56 5.780 -4.777 5.164 1.00 1.29 H new ATOM 804 N VAL A 57 1.827 -6.668 4.415 1.00 0.17 N ATOM 805 CA VAL A 57 0.414 -6.966 4.284 1.00 0.20 C ATOM 806 C VAL A 57 -0.421 -5.971 5.085 1.00 0.21 C ATOM 807 O VAL A 57 -0.105 -5.651 6.233 1.00 0.30 O ATOM 808 CB VAL A 57 0.089 -8.419 4.708 1.00 0.28 C ATOM 809 CG1 VAL A 57 0.342 -8.636 6.193 1.00 0.81 C ATOM 810 CG2 VAL A 57 -1.346 -8.786 4.336 1.00 0.78 C ATOM 0 H VAL A 57 2.141 -6.498 5.371 1.00 0.17 H new ATOM 0 HA VAL A 57 0.156 -6.870 3.229 1.00 0.20 H new ATOM 0 HB VAL A 57 0.761 -9.081 4.162 1.00 0.28 H new ATOM 0 HG11 VAL A 57 0.103 -9.667 6.456 1.00 0.81 H new ATOM 0 HG12 VAL A 57 1.390 -8.438 6.416 1.00 0.81 H new ATOM 0 HG13 VAL A 57 -0.286 -7.959 6.772 1.00 0.81 H new ATOM 0 HG21 VAL A 57 -1.551 -9.811 4.644 1.00 0.78 H new ATOM 0 HG22 VAL A 57 -2.037 -8.111 4.841 1.00 0.78 H new ATOM 0 HG23 VAL A 57 -1.476 -8.698 3.257 1.00 0.78 H new ATOM 820 N ILE A 58 -1.461 -5.452 4.456 1.00 0.18 N ATOM 821 CA ILE A 58 -2.337 -4.483 5.090 1.00 0.22 C ATOM 822 C ILE A 58 -3.618 -5.159 5.556 1.00 0.29 C ATOM 823 O ILE A 58 -4.115 -6.077 4.899 1.00 0.32 O ATOM 824 CB ILE A 58 -2.694 -3.340 4.119 1.00 0.22 C ATOM 825 CG1 ILE A 58 -1.428 -2.817 3.443 1.00 0.20 C ATOM 826 CG2 ILE A 58 -3.403 -2.211 4.863 1.00 0.29 C ATOM 827 CD1 ILE A 58 -1.678 -1.665 2.503 1.00 0.25 C ATOM 0 H ILE A 58 -1.721 -5.688 3.498 1.00 0.18 H new ATOM 0 HA ILE A 58 -1.807 -4.066 5.946 1.00 0.22 H new ATOM 0 HB ILE A 58 -3.369 -3.726 3.355 1.00 0.22 H new ATOM 0 HG12 ILE A 58 -0.720 -2.502 4.210 1.00 0.20 H new ATOM 0 HG13 ILE A 58 -0.958 -3.631 2.890 1.00 0.20 H new ATOM 0 HG21 ILE A 58 -3.648 -1.412 4.163 1.00 0.29 H new ATOM 0 HG22 ILE A 58 -4.319 -2.592 5.314 1.00 0.29 H new ATOM 0 HG23 ILE A 58 -2.749 -1.822 5.643 1.00 0.29 H new ATOM 0 HD11 ILE A 58 -0.735 -1.346 2.060 1.00 0.25 H new ATOM 0 HD12 ILE A 58 -2.361 -1.980 1.714 1.00 0.25 H new ATOM 0 HD13 ILE A 58 -2.119 -0.835 3.054 1.00 0.25 H new ATOM 839 N GLY A 59 -4.133 -4.720 6.698 1.00 0.35 N ATOM 840 CA GLY A 59 -5.382 -5.249 7.200 1.00 0.43 C ATOM 841 C GLY A 59 -6.579 -4.528 6.616 1.00 0.50 C ATOM 842 O GLY A 59 -6.449 -3.787 5.643 1.00 1.02 O ATOM 0 H GLY A 59 -3.705 -4.005 7.285 1.00 0.35 H new ATOM 0 HA2 GLY A 59 -5.447 -6.311 6.963 1.00 0.43 H new ATOM 0 HA3 GLY A 59 -5.402 -5.163 8.286 1.00 0.43 H new ATOM 846 N GLY A 60 -7.736 -4.716 7.227 1.00 0.35 N ATOM 847 CA GLY A 60 -8.960 -4.171 6.694 1.00 0.36 C ATOM 848 C GLY A 60 -9.550 -3.144 7.623 1.00 0.33 C ATOM 849 O GLY A 60 -9.312 -3.197 8.831 1.00 0.40 O ATOM 0 H GLY A 60 -7.847 -5.243 8.093 1.00 0.35 H new ATOM 0 HA2 GLY A 60 -8.766 -3.717 5.722 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -9.679 -4.974 6.533 1.00 0.36 H new ATOM 853 N ASP A 61 -10.306 -2.202 7.063 1.00 0.28 N ATOM 854 CA ASP A 61 -10.821 -1.065 7.826 1.00 0.31 C ATOM 855 C ASP A 61 -9.655 -0.300 8.462 1.00 0.29 C ATOM 856 O ASP A 61 -9.809 0.403 9.460 1.00 0.43 O ATOM 857 CB ASP A 61 -11.820 -1.541 8.889 1.00 0.41 C ATOM 858 CG ASP A 61 -12.561 -0.406 9.571 1.00 0.87 C ATOM 859 OD1 ASP A 61 -12.341 -0.183 10.778 1.00 0.96 O ATOM 860 OD2 ASP A 61 -13.348 0.290 8.897 1.00 1.26 O ATOM 0 H ASP A 61 -10.577 -2.203 6.080 1.00 0.28 H new ATOM 0 HA ASP A 61 -11.351 -0.390 7.154 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -12.544 -2.209 8.423 1.00 0.41 H new ATOM 0 HB3 ASP A 61 -11.288 -2.122 9.642 1.00 0.41 H new ATOM 865 N SER A 62 -8.477 -0.443 7.866 1.00 0.22 N ATOM 866 CA SER A 62 -7.268 0.156 8.404 1.00 0.26 C ATOM 867 C SER A 62 -6.776 1.298 7.525 1.00 0.22 C ATOM 868 O SER A 62 -7.140 1.403 6.354 1.00 0.23 O ATOM 869 CB SER A 62 -6.176 -0.901 8.515 1.00 0.32 C ATOM 870 OG SER A 62 -6.677 -2.089 9.107 1.00 1.19 O ATOM 0 H SER A 62 -8.336 -0.972 7.005 1.00 0.22 H new ATOM 0 HA SER A 62 -7.502 0.557 9.390 1.00 0.26 H new ATOM 0 HB2 SER A 62 -5.778 -1.124 7.525 1.00 0.32 H new ATOM 0 HB3 SER A 62 -5.349 -0.514 9.111 1.00 0.32 H new ATOM 0 HG SER A 62 -5.959 -2.753 9.166 1.00 1.19 H new ATOM 876 N ILE A 63 -5.947 2.146 8.108 1.00 0.20 N ATOM 877 CA ILE A 63 -5.340 3.262 7.396 1.00 0.19 C ATOM 878 C ILE A 63 -3.886 3.409 7.831 1.00 0.24 C ATOM 879 O ILE A 63 -3.598 3.512 9.026 1.00 0.38 O ATOM 880 CB ILE A 63 -6.094 4.586 7.654 1.00 0.19 C ATOM 881 CG1 ILE A 63 -7.546 4.468 7.185 1.00 0.19 C ATOM 882 CG2 ILE A 63 -5.401 5.744 6.948 1.00 0.24 C ATOM 883 CD1 ILE A 63 -8.407 5.655 7.549 1.00 0.25 C ATOM 0 H ILE A 63 -5.674 2.082 9.089 1.00 0.20 H new ATOM 0 HA ILE A 63 -5.395 3.050 6.328 1.00 0.19 H new ATOM 0 HB ILE A 63 -6.087 4.785 8.726 1.00 0.19 H new ATOM 0 HG12 ILE A 63 -7.558 4.341 6.102 1.00 0.19 H new ATOM 0 HG13 ILE A 63 -7.984 3.568 7.616 1.00 0.19 H new ATOM 0 HG21 ILE A 63 -5.947 6.667 7.142 1.00 0.24 H new ATOM 0 HG22 ILE A 63 -4.381 5.840 7.321 1.00 0.24 H new ATOM 0 HG23 ILE A 63 -5.378 5.554 5.875 1.00 0.24 H new ATOM 0 HD11 ILE A 63 -9.421 5.495 7.182 1.00 0.25 H new ATOM 0 HD12 ILE A 63 -8.427 5.771 8.633 1.00 0.25 H new ATOM 0 HD13 ILE A 63 -7.995 6.556 7.095 1.00 0.25 H new ATOM 895 N VAL A 64 -2.975 3.399 6.874 1.00 0.15 N ATOM 896 CA VAL A 64 -1.556 3.452 7.185 1.00 0.18 C ATOM 897 C VAL A 64 -0.783 4.175 6.086 1.00 0.15 C ATOM 898 O VAL A 64 -1.083 4.030 4.902 1.00 0.13 O ATOM 899 CB VAL A 64 -0.985 2.027 7.388 1.00 0.23 C ATOM 900 CG1 VAL A 64 -1.123 1.189 6.122 1.00 0.98 C ATOM 901 CG2 VAL A 64 0.463 2.082 7.843 1.00 1.00 C ATOM 0 H VAL A 64 -3.191 3.355 5.878 1.00 0.15 H new ATOM 0 HA VAL A 64 -1.439 4.010 8.114 1.00 0.18 H new ATOM 0 HB VAL A 64 -1.570 1.545 8.172 1.00 0.23 H new ATOM 0 HG11 VAL A 64 -0.713 0.194 6.297 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -2.176 1.105 5.854 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -0.579 1.667 5.308 1.00 0.98 H new ATOM 0 HG21 VAL A 64 0.841 1.068 7.978 1.00 1.00 H new ATOM 0 HG22 VAL A 64 1.062 2.595 7.090 1.00 1.00 H new ATOM 0 HG23 VAL A 64 0.527 2.622 8.787 1.00 1.00 H new ATOM 911 N GLU A 65 0.196 4.977 6.482 1.00 0.18 N ATOM 912 CA GLU A 65 1.027 5.691 5.530 1.00 0.16 C ATOM 913 C GLU A 65 2.308 4.910 5.260 1.00 0.13 C ATOM 914 O GLU A 65 2.963 4.431 6.189 1.00 0.15 O ATOM 915 CB GLU A 65 1.346 7.095 6.050 1.00 0.22 C ATOM 916 CG GLU A 65 2.068 7.976 5.043 1.00 0.33 C ATOM 917 CD GLU A 65 2.255 9.394 5.541 1.00 0.38 C ATOM 918 OE1 GLU A 65 3.293 9.680 6.170 1.00 0.67 O ATOM 919 OE2 GLU A 65 1.362 10.233 5.306 1.00 0.45 O ATOM 0 H GLU A 65 0.432 5.148 7.459 1.00 0.18 H new ATOM 0 HA GLU A 65 0.481 5.791 4.592 1.00 0.16 H new ATOM 0 HB2 GLU A 65 0.417 7.583 6.344 1.00 0.22 H new ATOM 0 HB3 GLU A 65 1.959 7.009 6.948 1.00 0.22 H new ATOM 0 HG2 GLU A 65 3.042 7.542 4.818 1.00 0.33 H new ATOM 0 HG3 GLU A 65 1.504 7.993 4.110 1.00 0.33 H new ATOM 926 N MET A 66 2.639 4.769 3.981 1.00 0.12 N ATOM 927 CA MET A 66 3.823 4.023 3.556 1.00 0.14 C ATOM 928 C MET A 66 5.095 4.781 3.929 1.00 0.13 C ATOM 929 O MET A 66 5.605 5.581 3.148 1.00 0.17 O ATOM 930 CB MET A 66 3.794 3.774 2.038 1.00 0.19 C ATOM 931 CG MET A 66 2.482 3.189 1.530 1.00 0.30 C ATOM 932 SD MET A 66 1.849 1.860 2.570 1.00 0.88 S ATOM 933 CE MET A 66 2.931 0.519 2.105 1.00 0.31 C ATOM 0 H MET A 66 2.099 5.165 3.212 1.00 0.12 H new ATOM 0 HA MET A 66 3.818 3.062 4.070 1.00 0.14 H new ATOM 0 HB2 MET A 66 3.984 4.715 1.522 1.00 0.19 H new ATOM 0 HB3 MET A 66 4.607 3.097 1.776 1.00 0.19 H new ATOM 0 HG2 MET A 66 1.737 3.982 1.471 1.00 0.30 H new ATOM 0 HG3 MET A 66 2.627 2.812 0.518 1.00 0.30 H new ATOM 0 HE1 MET A 66 2.862 -0.278 2.846 1.00 0.31 H new ATOM 0 HE2 MET A 66 2.634 0.134 1.129 1.00 0.31 H new ATOM 0 HE3 MET A 66 3.958 0.881 2.055 1.00 0.31 H new ATOM 943 N THR A 67 5.596 4.516 5.127 1.00 0.13 N ATOM 944 CA THR A 67 6.765 5.202 5.648 1.00 0.14 C ATOM 945 C THR A 67 7.917 4.227 5.882 1.00 0.15 C ATOM 946 O THR A 67 7.885 3.093 5.399 1.00 0.16 O ATOM 947 CB THR A 67 6.425 5.908 6.971 1.00 0.19 C ATOM 948 OG1 THR A 67 5.823 4.973 7.877 1.00 0.29 O ATOM 949 CG2 THR A 67 5.483 7.080 6.741 1.00 0.29 C ATOM 0 H THR A 67 5.203 3.821 5.762 1.00 0.13 H new ATOM 0 HA THR A 67 7.073 5.940 4.907 1.00 0.14 H new ATOM 0 HB THR A 67 7.350 6.293 7.401 1.00 0.19 H new ATOM 0 HG1 THR A 67 5.609 5.425 8.720 1.00 0.29 H new ATOM 0 HG21 THR A 67 5.260 7.560 7.694 1.00 0.29 H new ATOM 0 HG22 THR A 67 5.955 7.801 6.073 1.00 0.29 H new ATOM 0 HG23 THR A 67 4.558 6.720 6.291 1.00 0.29 H new ATOM 957 N ASP A 68 8.924 4.664 6.630 1.00 0.18 N ATOM 958 CA ASP A 68 10.077 3.821 6.949 1.00 0.23 C ATOM 959 C ASP A 68 9.658 2.625 7.798 1.00 0.25 C ATOM 960 O ASP A 68 10.177 1.518 7.634 1.00 0.34 O ATOM 961 CB ASP A 68 11.147 4.634 7.686 1.00 0.32 C ATOM 962 CG ASP A 68 12.293 3.774 8.189 1.00 1.10 C ATOM 963 OD1 ASP A 68 13.199 3.446 7.391 1.00 2.13 O ATOM 964 OD2 ASP A 68 12.296 3.425 9.386 1.00 0.96 O ATOM 0 H ASP A 68 8.968 5.601 7.030 1.00 0.18 H new ATOM 0 HA ASP A 68 10.494 3.452 6.012 1.00 0.23 H new ATOM 0 HB2 ASP A 68 11.539 5.401 7.018 1.00 0.32 H new ATOM 0 HB3 ASP A 68 10.688 5.151 8.529 1.00 0.32 H new ATOM 969 N GLU A 69 8.699 2.852 8.691 1.00 0.29 N ATOM 970 CA GLU A 69 8.184 1.798 9.560 1.00 0.39 C ATOM 971 C GLU A 69 7.461 0.739 8.736 1.00 0.35 C ATOM 972 O GLU A 69 7.300 -0.407 9.156 1.00 0.49 O ATOM 973 CB GLU A 69 7.242 2.397 10.602 1.00 0.49 C ATOM 974 CG GLU A 69 7.932 3.342 11.573 1.00 0.96 C ATOM 975 CD GLU A 69 6.959 4.048 12.491 1.00 1.71 C ATOM 976 OE1 GLU A 69 6.268 4.978 12.027 1.00 2.51 O ATOM 977 OE2 GLU A 69 6.887 3.686 13.684 1.00 1.93 O ATOM 0 H GLU A 69 8.261 3.762 8.832 1.00 0.29 H new ATOM 0 HA GLU A 69 9.020 1.323 10.073 1.00 0.39 H new ATOM 0 HB2 GLU A 69 6.443 2.934 10.091 1.00 0.49 H new ATOM 0 HB3 GLU A 69 6.774 1.589 11.164 1.00 0.49 H new ATOM 0 HG2 GLU A 69 8.649 2.781 12.172 1.00 0.96 H new ATOM 0 HG3 GLU A 69 8.499 4.084 11.011 1.00 0.96 H new ATOM 984 N ILE A 70 7.030 1.147 7.562 1.00 0.21 N ATOM 985 CA ILE A 70 6.385 0.265 6.615 1.00 0.18 C ATOM 986 C ILE A 70 7.413 -0.435 5.731 1.00 0.18 C ATOM 987 O ILE A 70 7.475 -1.663 5.675 1.00 0.24 O ATOM 988 CB ILE A 70 5.404 1.074 5.746 1.00 0.16 C ATOM 989 CG1 ILE A 70 4.061 1.218 6.454 1.00 0.18 C ATOM 990 CG2 ILE A 70 5.225 0.440 4.387 1.00 0.25 C ATOM 991 CD1 ILE A 70 3.118 0.052 6.223 1.00 0.23 C ATOM 0 H ILE A 70 7.119 2.109 7.236 1.00 0.21 H new ATOM 0 HA ILE A 70 5.839 -0.500 7.167 1.00 0.18 H new ATOM 0 HB ILE A 70 5.827 2.067 5.596 1.00 0.16 H new ATOM 0 HG12 ILE A 70 4.235 1.326 7.525 1.00 0.18 H new ATOM 0 HG13 ILE A 70 3.579 2.135 6.116 1.00 0.18 H new ATOM 0 HG21 ILE A 70 4.527 1.034 3.797 1.00 0.25 H new ATOM 0 HG22 ILE A 70 6.187 0.397 3.876 1.00 0.25 H new ATOM 0 HG23 ILE A 70 4.832 -0.570 4.505 1.00 0.25 H new ATOM 0 HD11 ILE A 70 2.185 0.227 6.758 1.00 0.23 H new ATOM 0 HD12 ILE A 70 2.912 -0.044 5.157 1.00 0.23 H new ATOM 0 HD13 ILE A 70 3.579 -0.866 6.588 1.00 0.23 H new ATOM 1003 N TYR A 71 8.226 0.360 5.065 1.00 0.16 N ATOM 1004 CA TYR A 71 9.162 -0.145 4.083 1.00 0.17 C ATOM 1005 C TYR A 71 10.527 -0.357 4.719 1.00 0.27 C ATOM 1006 O TYR A 71 11.386 0.528 4.705 1.00 0.31 O ATOM 1007 CB TYR A 71 9.247 0.817 2.892 1.00 0.15 C ATOM 1008 CG TYR A 71 10.041 0.296 1.713 1.00 0.13 C ATOM 1009 CD1 TYR A 71 10.570 -0.980 1.743 1.00 0.15 C ATOM 1010 CD2 TYR A 71 10.256 1.064 0.574 1.00 0.13 C ATOM 1011 CE1 TYR A 71 11.293 -1.480 0.680 1.00 0.17 C ATOM 1012 CE2 TYR A 71 10.978 0.570 -0.489 1.00 0.14 C ATOM 1013 CZ TYR A 71 11.500 -0.609 -0.465 1.00 0.15 C ATOM 1014 OH TYR A 71 12.210 -1.201 -1.483 1.00 0.21 O ATOM 0 H TYR A 71 8.256 1.372 5.189 1.00 0.16 H new ATOM 0 HA TYR A 71 8.809 -1.108 3.715 1.00 0.17 H new ATOM 0 HB2 TYR A 71 8.236 1.050 2.557 1.00 0.15 H new ATOM 0 HB3 TYR A 71 9.694 1.752 3.229 1.00 0.15 H new ATOM 0 HD1 TYR A 71 10.414 -1.598 2.615 1.00 0.15 H new ATOM 0 HD2 TYR A 71 9.850 2.064 0.522 1.00 0.13 H new ATOM 0 HE1 TYR A 71 11.691 -2.484 0.698 1.00 0.17 H new ATOM 0 HE2 TYR A 71 11.111 1.186 -1.366 1.00 0.14 H new ATOM 0 HH TYR A 71 12.836 -0.552 -1.866 1.00 0.21 H new ATOM 1024 N ASN A 72 10.691 -1.527 5.309 1.00 0.40 N ATOM 1025 CA ASN A 72 11.987 -1.962 5.809 1.00 0.53 C ATOM 1026 C ASN A 72 12.957 -2.140 4.642 1.00 0.46 C ATOM 1027 O ASN A 72 12.885 -3.128 3.904 1.00 0.61 O ATOM 1028 CB ASN A 72 11.856 -3.271 6.591 1.00 0.79 C ATOM 1029 CG ASN A 72 13.190 -3.764 7.123 1.00 0.96 C ATOM 1030 OD1 ASN A 72 13.897 -4.519 6.455 1.00 1.34 O ATOM 1031 ND2 ASN A 72 13.542 -3.343 8.327 1.00 1.46 N ATOM 0 H ASN A 72 9.938 -2.199 5.455 1.00 0.40 H new ATOM 0 HA ASN A 72 12.374 -1.199 6.485 1.00 0.53 H new ATOM 0 HB2 ASN A 72 11.167 -3.126 7.423 1.00 0.79 H new ATOM 0 HB3 ASN A 72 11.421 -4.034 5.946 1.00 0.79 H new ATOM 0 HD21 ASN A 72 14.428 -3.644 8.734 1.00 1.46 H new ATOM 0 HD22 ASN A 72 12.928 -2.718 8.848 1.00 1.46 H new ATOM 1038 N THR A 73 13.843 -1.173 4.469 1.00 0.40 N ATOM 1039 CA THR A 73 14.776 -1.177 3.356 1.00 0.42 C ATOM 1040 C THR A 73 16.117 -1.779 3.760 1.00 0.58 C ATOM 1041 O THR A 73 16.603 -1.555 4.872 1.00 0.69 O ATOM 1042 CB THR A 73 14.998 0.250 2.825 1.00 0.51 C ATOM 1043 OG1 THR A 73 15.322 1.135 3.904 1.00 0.66 O ATOM 1044 CG2 THR A 73 13.762 0.761 2.105 1.00 0.43 C ATOM 0 H THR A 73 13.935 -0.370 5.091 1.00 0.40 H new ATOM 0 HA THR A 73 14.338 -1.791 2.569 1.00 0.42 H new ATOM 0 HB THR A 73 15.827 0.220 2.118 1.00 0.51 H new ATOM 0 HG1 THR A 73 15.463 2.040 3.554 1.00 0.66 H new ATOM 0 HG21 THR A 73 13.945 1.771 1.740 1.00 0.43 H new ATOM 0 HG22 THR A 73 13.534 0.107 1.264 1.00 0.43 H new ATOM 0 HG23 THR A 73 12.918 0.772 2.794 1.00 0.43 H new ATOM 1052 N GLY A 74 16.704 -2.549 2.856 1.00 0.69 N ATOM 1053 CA GLY A 74 17.997 -3.142 3.113 1.00 0.90 C ATOM 1054 C GLY A 74 19.103 -2.377 2.425 1.00 1.46 C ATOM 1055 O GLY A 74 20.281 -2.577 2.716 1.00 1.91 O ATOM 0 H GLY A 74 16.304 -2.774 1.945 1.00 0.69 H new ATOM 0 HA2 GLY A 74 18.182 -3.164 4.187 1.00 0.90 H new ATOM 0 HA3 GLY A 74 17.999 -4.176 2.768 1.00 0.90 H new ATOM 1059 N ASP A 75 18.716 -1.493 1.512 1.00 2.07 N ATOM 1060 CA ASP A 75 19.675 -0.674 0.782 1.00 3.16 C ATOM 1061 C ASP A 75 20.184 0.462 1.659 1.00 3.74 C ATOM 1062 O ASP A 75 21.247 1.022 1.399 1.00 4.38 O ATOM 1063 CB ASP A 75 19.041 -0.099 -0.490 1.00 3.92 C ATOM 1064 CG ASP A 75 18.078 1.039 -0.209 1.00 4.89 C ATOM 1065 OD1 ASP A 75 17.073 0.813 0.498 1.00 5.30 O ATOM 1066 OD2 ASP A 75 18.319 2.165 -0.690 1.00 5.57 O ATOM 0 H ASP A 75 17.742 -1.325 1.260 1.00 2.07 H new ATOM 0 HA ASP A 75 20.514 -1.310 0.501 1.00 3.16 H new ATOM 0 HB2 ASP A 75 19.829 0.255 -1.154 1.00 3.92 H new ATOM 0 HB3 ASP A 75 18.513 -0.893 -1.017 1.00 3.92 H new ATOM 1071 N ASN A 76 19.414 0.783 2.700 1.00 4.05 N ATOM 1072 CA ASN A 76 19.753 1.854 3.635 1.00 5.07 C ATOM 1073 C ASN A 76 19.808 3.198 2.923 1.00 5.95 C ATOM 1074 O ASN A 76 18.737 3.808 2.735 1.00 6.53 O ATOM 1075 CB ASN A 76 21.079 1.573 4.351 1.00 5.51 C ATOM 1076 CG ASN A 76 20.971 0.448 5.364 1.00 6.35 C ATOM 1077 OD1 ASN A 76 21.225 -0.718 5.055 1.00 6.87 O ATOM 1078 ND2 ASN A 76 20.586 0.794 6.583 1.00 6.80 N ATOM 0 H ASN A 76 18.538 0.307 2.918 1.00 4.05 H new ATOM 0 HA ASN A 76 18.966 1.893 4.388 1.00 5.07 H new ATOM 0 HB2 ASN A 76 21.839 1.319 3.612 1.00 5.51 H new ATOM 0 HB3 ASN A 76 21.414 2.479 4.855 1.00 5.51 H new ATOM 0 HD21 ASN A 76 20.490 0.083 7.308 1.00 6.80 H new ATOM 0 HD22 ASN A 76 20.386 1.771 6.796 1.00 6.80 H new TER 1085 ASN A 76