USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -80:sc= -0.467 USER MOD Set 1.2: A 55 GLN : amide:sc= -1.39 K(o=-1.9,f=-3.7) USER MOD Single : A 3 THR OG1 : rot 160:sc= -0.0174 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 1:sc= 0.284! USER MOD Single : A 20 CYS SG : rot 28:sc= 0.402 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0377 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.087 X(o=-0.087,f=0) USER MOD Single : A 29 THR OG1 : rot -53:sc= 1.82 USER MOD Single : A 30 GLN : amide:sc= -2.02 X(o=-2,f=-1.7) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 110:sc= -0.569 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.5!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 71 ASN : amide:sc= -0.0155 K(o=-0.015,f=-2.2) USER MOD Single : A 72 THR OG1 : rot -66:sc= 1.01 USER MOD Single : A 77 HIS : no HD1:sc= -0.458 K(o=-0.46,f=-1) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -45:sc= 0.927 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.724 0.561 -1.187 1.00 25.23 N ATOM 2 CA PRO A 1 2.687 0.097 -2.191 1.00 14.21 C ATOM 3 C PRO A 1 2.450 -1.355 -2.593 1.00 44.42 C ATOM 4 O PRO A 1 1.901 -2.142 -1.822 1.00 14.24 O ATOM 5 CB PRO A 1 4.036 0.243 -1.483 1.00 40.33 C ATOM 6 CG PRO A 1 3.714 0.157 -0.031 1.00 72.54 C ATOM 7 CD PRO A 1 2.352 0.774 0.128 1.00 1.22 C ATOM 0 H2 PRO A 1 0.973 -0.123 -1.097 1.00 25.23 H new ATOM 0 H3 PRO A 1 1.298 1.432 -1.504 1.00 25.23 H new ATOM 0 HA PRO A 1 2.614 0.664 -3.119 1.00 14.21 H new ATOM 0 HB2 PRO A 1 4.727 -0.545 -1.782 1.00 40.33 H new ATOM 0 HB3 PRO A 1 4.510 1.193 -1.728 1.00 40.33 H new ATOM 0 HG2 PRO A 1 3.715 -0.879 0.308 1.00 72.54 H new ATOM 0 HG3 PRO A 1 4.455 0.689 0.565 1.00 72.54 H new ATOM 0 HD2 PRO A 1 1.785 0.295 0.926 1.00 1.22 H new ATOM 0 HD3 PRO A 1 2.417 1.834 0.375 1.00 1.22 H new ATOM 15 N LEU A 2 2.869 -1.703 -3.805 1.00 22.54 N ATOM 16 CA LEU A 2 2.704 -3.062 -4.310 1.00 32.15 C ATOM 17 C LEU A 2 3.760 -3.384 -5.362 1.00 73.20 C ATOM 18 O LEU A 2 3.604 -3.050 -6.537 1.00 73.21 O ATOM 19 CB LEU A 2 1.305 -3.240 -4.903 1.00 1.12 C ATOM 20 CG LEU A 2 0.368 -4.180 -4.143 1.00 65.34 C ATOM 21 CD1 LEU A 2 -0.937 -3.476 -3.806 1.00 64.12 C ATOM 22 CD2 LEU A 2 0.103 -5.439 -4.956 1.00 71.20 C ATOM 0 H LEU A 2 3.325 -1.064 -4.456 1.00 22.54 H new ATOM 0 HA LEU A 2 2.828 -3.751 -3.475 1.00 32.15 H new ATOM 0 HB2 LEU A 2 0.832 -2.260 -4.966 1.00 1.12 H new ATOM 0 HB3 LEU A 2 1.409 -3.610 -5.923 1.00 1.12 H new ATOM 0 HG LEU A 2 0.852 -4.469 -3.210 1.00 65.34 H new ATOM 0 HD11 LEU A 2 -1.591 -4.161 -3.266 1.00 64.12 H new ATOM 0 HD12 LEU A 2 -0.730 -2.605 -3.184 1.00 64.12 H new ATOM 0 HD13 LEU A 2 -1.427 -3.157 -4.726 1.00 64.12 H new ATOM 0 HD21 LEU A 2 -0.565 -6.097 -4.401 1.00 71.20 H new ATOM 0 HD22 LEU A 2 -0.360 -5.169 -5.905 1.00 71.20 H new ATOM 0 HD23 LEU A 2 1.044 -5.955 -5.146 1.00 71.20 H new ATOM 34 N THR A 3 4.835 -4.038 -4.933 1.00 42.13 N ATOM 35 CA THR A 3 5.917 -4.407 -5.838 1.00 54.41 C ATOM 36 C THR A 3 6.275 -5.881 -5.694 1.00 70.25 C ATOM 37 O THR A 3 6.054 -6.484 -4.644 1.00 4.22 O ATOM 38 CB THR A 3 7.176 -3.557 -5.584 1.00 51.21 C ATOM 39 OG1 THR A 3 6.802 -2.237 -5.172 1.00 32.51 O ATOM 40 CG2 THR A 3 8.037 -3.477 -6.836 1.00 33.41 C ATOM 0 H THR A 3 4.980 -4.323 -3.964 1.00 42.13 H new ATOM 0 HA THR A 3 5.560 -4.220 -6.851 1.00 54.41 H new ATOM 0 HB THR A 3 7.755 -4.034 -4.793 1.00 51.21 H new ATOM 0 HG1 THR A 3 7.556 -1.811 -4.713 1.00 32.51 H new ATOM 0 HG21 THR A 3 8.920 -2.872 -6.632 1.00 33.41 H new ATOM 0 HG22 THR A 3 8.345 -4.480 -7.131 1.00 33.41 H new ATOM 0 HG23 THR A 3 7.464 -3.022 -7.643 1.00 33.41 H new ATOM 48 N ARG A 4 6.829 -6.457 -6.756 1.00 43.13 N ATOM 49 CA ARG A 4 7.218 -7.862 -6.748 1.00 11.00 C ATOM 50 C ARG A 4 8.396 -8.106 -7.687 1.00 11.13 C ATOM 51 O ARG A 4 8.272 -8.762 -8.721 1.00 33.31 O ATOM 52 CB ARG A 4 6.036 -8.743 -7.156 1.00 54.45 C ATOM 53 CG ARG A 4 5.166 -9.176 -5.987 1.00 43.24 C ATOM 54 CD ARG A 4 4.362 -10.422 -6.323 1.00 20.00 C ATOM 55 NE ARG A 4 3.134 -10.103 -7.045 1.00 53.45 N ATOM 56 CZ ARG A 4 2.265 -11.019 -7.460 1.00 3.44 C ATOM 57 NH1 ARG A 4 2.489 -12.304 -7.224 1.00 3.25 N ATOM 58 NH2 ARG A 4 1.170 -10.649 -8.111 1.00 72.40 N ATOM 0 H ARG A 4 7.019 -5.972 -7.633 1.00 43.13 H new ATOM 0 HA ARG A 4 7.524 -8.122 -5.735 1.00 11.00 H new ATOM 0 HB2 ARG A 4 5.421 -8.201 -7.874 1.00 54.45 H new ATOM 0 HB3 ARG A 4 6.414 -9.630 -7.665 1.00 54.45 H new ATOM 0 HG2 ARG A 4 5.794 -9.370 -5.117 1.00 43.24 H new ATOM 0 HG3 ARG A 4 4.488 -8.366 -5.717 1.00 43.24 H new ATOM 0 HD2 ARG A 4 4.972 -11.095 -6.925 1.00 20.00 H new ATOM 0 HD3 ARG A 4 4.114 -10.952 -5.404 1.00 20.00 H new ATOM 0 HE ARG A 4 2.932 -9.123 -7.242 1.00 53.45 H new ATOM 0 HH11 ARG A 4 3.330 -12.592 -6.723 1.00 3.25 H new ATOM 0 HH12 ARG A 4 1.821 -13.005 -7.543 1.00 3.25 H new ATOM 0 HH21 ARG A 4 0.994 -9.661 -8.293 1.00 72.40 H new ATOM 0 HH22 ARG A 4 0.504 -11.353 -8.429 1.00 72.40 H new ATOM 72 N PRO A 5 9.567 -7.565 -7.320 1.00 1.11 N ATOM 73 CA PRO A 5 10.790 -7.710 -8.115 1.00 71.23 C ATOM 74 C PRO A 5 11.330 -9.136 -8.093 1.00 72.12 C ATOM 75 O PRO A 5 10.672 -10.052 -7.599 1.00 11.34 O ATOM 76 CB PRO A 5 11.773 -6.756 -7.433 1.00 13.45 C ATOM 77 CG PRO A 5 11.285 -6.651 -6.029 1.00 3.44 C ATOM 78 CD PRO A 5 9.788 -6.770 -6.100 1.00 61.20 C ATOM 0 HA PRO A 5 10.620 -7.487 -9.168 1.00 71.23 H new ATOM 0 HB2 PRO A 5 12.791 -7.143 -7.470 1.00 13.45 H new ATOM 0 HB3 PRO A 5 11.784 -5.782 -7.922 1.00 13.45 H new ATOM 0 HG2 PRO A 5 11.710 -7.440 -5.408 1.00 3.44 H new ATOM 0 HG3 PRO A 5 11.580 -5.701 -5.583 1.00 3.44 H new ATOM 0 HD2 PRO A 5 9.382 -7.266 -5.218 1.00 61.20 H new ATOM 0 HD3 PRO A 5 9.310 -5.793 -6.165 1.00 61.20 H new ATOM 86 N TYR A 6 12.531 -9.317 -8.631 1.00 74.34 N ATOM 87 CA TYR A 6 13.158 -10.633 -8.675 1.00 40.30 C ATOM 88 C TYR A 6 14.423 -10.662 -7.822 1.00 54.20 C ATOM 89 O TYR A 6 15.072 -9.635 -7.619 1.00 25.34 O ATOM 90 CB TYR A 6 13.494 -11.013 -10.118 1.00 70.00 C ATOM 91 CG TYR A 6 13.301 -12.483 -10.417 1.00 42.55 C ATOM 92 CD1 TYR A 6 12.054 -12.981 -10.772 1.00 34.44 C ATOM 93 CD2 TYR A 6 14.366 -13.372 -10.345 1.00 71.13 C ATOM 94 CE1 TYR A 6 11.872 -14.323 -11.045 1.00 64.35 C ATOM 95 CE2 TYR A 6 14.194 -14.715 -10.619 1.00 23.21 C ATOM 96 CZ TYR A 6 12.946 -15.186 -10.968 1.00 72.02 C ATOM 97 OH TYR A 6 12.770 -16.524 -11.240 1.00 44.51 O ATOM 0 H TYR A 6 13.090 -8.569 -9.043 1.00 74.34 H new ATOM 0 HA TYR A 6 12.452 -11.358 -8.271 1.00 40.30 H new ATOM 0 HB2 TYR A 6 12.870 -10.428 -10.794 1.00 70.00 H new ATOM 0 HB3 TYR A 6 14.529 -10.741 -10.325 1.00 70.00 H new ATOM 0 HD1 TYR A 6 11.212 -12.308 -10.836 1.00 34.44 H new ATOM 0 HD2 TYR A 6 15.345 -13.007 -10.070 1.00 71.13 H new ATOM 0 HE1 TYR A 6 10.895 -14.694 -11.317 1.00 64.35 H new ATOM 0 HE2 TYR A 6 15.033 -15.393 -10.560 1.00 23.21 H new ATOM 0 HH TYR A 6 13.625 -16.993 -11.142 1.00 44.51 H new ATOM 107 N LEU A 7 14.766 -11.845 -7.326 1.00 22.13 N ATOM 108 CA LEU A 7 15.954 -12.011 -6.495 1.00 13.44 C ATOM 109 C LEU A 7 17.213 -11.619 -7.260 1.00 43.34 C ATOM 110 O LEU A 7 17.503 -12.169 -8.322 1.00 24.24 O ATOM 111 CB LEU A 7 16.066 -13.458 -6.013 1.00 35.10 C ATOM 112 CG LEU A 7 16.198 -14.520 -7.105 1.00 24.42 C ATOM 113 CD1 LEU A 7 17.512 -15.273 -6.961 1.00 2.43 C ATOM 114 CD2 LEU A 7 15.022 -15.484 -7.057 1.00 72.31 C ATOM 0 H LEU A 7 14.239 -12.704 -7.484 1.00 22.13 H new ATOM 0 HA LEU A 7 15.857 -11.354 -5.631 1.00 13.44 H new ATOM 0 HB2 LEU A 7 16.930 -13.534 -5.353 1.00 35.10 H new ATOM 0 HB3 LEU A 7 15.186 -13.689 -5.413 1.00 35.10 H new ATOM 0 HG LEU A 7 16.193 -14.020 -8.073 1.00 24.42 H new ATOM 0 HD11 LEU A 7 17.589 -16.025 -7.747 1.00 2.43 H new ATOM 0 HD12 LEU A 7 18.343 -14.573 -7.046 1.00 2.43 H new ATOM 0 HD13 LEU A 7 17.547 -15.761 -5.987 1.00 2.43 H new ATOM 0 HD21 LEU A 7 15.133 -16.233 -7.841 1.00 72.31 H new ATOM 0 HD22 LEU A 7 14.995 -15.977 -6.085 1.00 72.31 H new ATOM 0 HD23 LEU A 7 14.094 -14.933 -7.210 1.00 72.31 H new ATOM 126 N GLY A 8 17.960 -10.664 -6.713 1.00 31.21 N ATOM 127 CA GLY A 8 19.181 -10.216 -7.357 1.00 31.41 C ATOM 128 C GLY A 8 20.410 -10.465 -6.506 1.00 21.24 C ATOM 129 O GLY A 8 21.432 -9.798 -6.669 1.00 23.55 O ATOM 0 H GLY A 8 17.741 -10.193 -5.835 1.00 31.21 H new ATOM 0 HA2 GLY A 8 19.294 -10.729 -8.312 1.00 31.41 H new ATOM 0 HA3 GLY A 8 19.103 -9.151 -7.575 1.00 31.41 H new ATOM 133 N PHE A 9 20.312 -11.426 -5.593 1.00 74.43 N ATOM 134 CA PHE A 9 21.424 -11.760 -4.711 1.00 14.21 C ATOM 135 C PHE A 9 21.575 -13.272 -4.575 1.00 24.02 C ATOM 136 O PHE A 9 20.861 -14.039 -5.221 1.00 10.14 O ATOM 137 CB PHE A 9 21.214 -11.131 -3.332 1.00 3.22 C ATOM 138 CG PHE A 9 19.970 -11.607 -2.638 1.00 51.24 C ATOM 139 CD1 PHE A 9 18.754 -10.982 -2.863 1.00 12.54 C ATOM 140 CD2 PHE A 9 20.016 -12.680 -1.763 1.00 10.40 C ATOM 141 CE1 PHE A 9 17.608 -11.417 -2.225 1.00 75.12 C ATOM 142 CE2 PHE A 9 18.873 -13.120 -1.123 1.00 13.01 C ATOM 143 CZ PHE A 9 17.667 -12.488 -1.355 1.00 73.43 C ATOM 0 H PHE A 9 19.473 -11.987 -5.445 1.00 74.43 H new ATOM 0 HA PHE A 9 22.338 -11.360 -5.151 1.00 14.21 H new ATOM 0 HB2 PHE A 9 22.078 -11.353 -2.705 1.00 3.22 H new ATOM 0 HB3 PHE A 9 21.168 -10.047 -3.439 1.00 3.22 H new ATOM 0 HD1 PHE A 9 18.701 -10.146 -3.544 1.00 12.54 H new ATOM 0 HD2 PHE A 9 20.956 -13.179 -1.579 1.00 10.40 H new ATOM 0 HE1 PHE A 9 16.667 -10.920 -2.407 1.00 75.12 H new ATOM 0 HE2 PHE A 9 18.923 -13.957 -0.442 1.00 13.01 H new ATOM 0 HZ PHE A 9 16.772 -12.831 -0.857 1.00 73.43 H new ATOM 153 N ARG A 10 22.511 -13.693 -3.730 1.00 64.15 N ATOM 154 CA ARG A 10 22.759 -15.113 -3.510 1.00 41.24 C ATOM 155 C ARG A 10 22.401 -15.512 -2.082 1.00 32.21 C ATOM 156 O ARG A 10 22.686 -14.783 -1.132 1.00 50.21 O ATOM 157 CB ARG A 10 24.225 -15.446 -3.792 1.00 63.31 C ATOM 158 CG ARG A 10 24.457 -16.065 -5.161 1.00 41.51 C ATOM 159 CD ARG A 10 25.812 -16.750 -5.241 1.00 2.05 C ATOM 160 NE ARG A 10 26.482 -16.493 -6.513 1.00 0.35 N ATOM 161 CZ ARG A 10 27.664 -17.005 -6.838 1.00 35.42 C ATOM 162 NH1 ARG A 10 28.302 -17.799 -5.989 1.00 72.21 N ATOM 163 NH2 ARG A 10 28.209 -16.725 -8.015 1.00 14.24 N ATOM 0 H ARG A 10 23.110 -13.071 -3.187 1.00 64.15 H new ATOM 0 HA ARG A 10 22.127 -15.677 -4.196 1.00 41.24 H new ATOM 0 HB2 ARG A 10 24.818 -14.535 -3.709 1.00 63.31 H new ATOM 0 HB3 ARG A 10 24.587 -16.132 -3.026 1.00 63.31 H new ATOM 0 HG2 ARG A 10 23.670 -16.788 -5.372 1.00 41.51 H new ATOM 0 HG3 ARG A 10 24.393 -15.292 -5.927 1.00 41.51 H new ATOM 0 HD2 ARG A 10 26.443 -16.402 -4.423 1.00 2.05 H new ATOM 0 HD3 ARG A 10 25.683 -17.824 -5.110 1.00 2.05 H new ATOM 0 HE ARG A 10 26.017 -15.887 -7.189 1.00 0.35 H new ATOM 0 HH11 ARG A 10 27.885 -18.018 -5.084 1.00 72.21 H new ATOM 0 HH12 ARG A 10 29.209 -18.191 -6.241 1.00 72.21 H new ATOM 0 HH21 ARG A 10 27.720 -16.116 -8.671 1.00 14.24 H new ATOM 0 HH22 ARG A 10 29.117 -17.119 -8.263 1.00 14.24 H new ATOM 177 N VAL A 11 21.773 -16.675 -1.938 1.00 24.23 N ATOM 178 CA VAL A 11 21.377 -17.172 -0.626 1.00 35.23 C ATOM 179 C VAL A 11 21.828 -18.614 -0.425 1.00 32.52 C ATOM 180 O VAL A 11 21.427 -19.510 -1.167 1.00 71.14 O ATOM 181 CB VAL A 11 19.850 -17.092 -0.433 1.00 45.32 C ATOM 182 CG1 VAL A 11 19.131 -17.804 -1.568 1.00 54.12 C ATOM 183 CG2 VAL A 11 19.452 -17.678 0.913 1.00 41.12 C ATOM 0 H VAL A 11 21.528 -17.290 -2.714 1.00 24.23 H new ATOM 0 HA VAL A 11 21.864 -16.536 0.113 1.00 35.23 H new ATOM 0 HB VAL A 11 19.553 -16.043 -0.448 1.00 45.32 H new ATOM 0 HG11 VAL A 11 18.054 -17.737 -1.415 1.00 54.12 H new ATOM 0 HG12 VAL A 11 19.393 -17.334 -2.516 1.00 54.12 H new ATOM 0 HG13 VAL A 11 19.430 -18.852 -1.588 1.00 54.12 H new ATOM 0 HG21 VAL A 11 18.371 -17.613 1.033 1.00 41.12 H new ATOM 0 HG22 VAL A 11 19.761 -18.722 0.961 1.00 41.12 H new ATOM 0 HG23 VAL A 11 19.939 -17.119 1.712 1.00 41.12 H new ATOM 193 N ALA A 12 22.664 -18.832 0.585 1.00 42.22 N ATOM 194 CA ALA A 12 23.168 -20.166 0.886 1.00 43.15 C ATOM 195 C ALA A 12 22.688 -20.639 2.253 1.00 2.25 C ATOM 196 O ALA A 12 22.948 -19.995 3.270 1.00 31.44 O ATOM 197 CB ALA A 12 24.688 -20.182 0.823 1.00 65.20 C ATOM 0 H ALA A 12 23.007 -18.101 1.209 1.00 42.22 H new ATOM 0 HA ALA A 12 22.777 -20.853 0.136 1.00 43.15 H new ATOM 0 HB1 ALA A 12 25.051 -21.184 1.050 1.00 65.20 H new ATOM 0 HB2 ALA A 12 25.014 -19.896 -0.177 1.00 65.20 H new ATOM 0 HB3 ALA A 12 25.090 -19.477 1.551 1.00 65.20 H new ATOM 203 N VAL A 13 21.986 -21.767 2.271 1.00 34.14 N ATOM 204 CA VAL A 13 21.469 -22.326 3.515 1.00 62.51 C ATOM 205 C VAL A 13 22.486 -23.260 4.162 1.00 44.22 C ATOM 206 O VAL A 13 23.062 -24.122 3.500 1.00 61.31 O ATOM 207 CB VAL A 13 20.157 -23.098 3.281 1.00 71.21 C ATOM 208 CG1 VAL A 13 20.353 -24.178 2.227 1.00 13.25 C ATOM 209 CG2 VAL A 13 19.653 -23.699 4.584 1.00 11.25 C ATOM 0 H VAL A 13 21.762 -22.312 1.438 1.00 34.14 H new ATOM 0 HA VAL A 13 21.274 -21.486 4.182 1.00 62.51 H new ATOM 0 HB VAL A 13 19.405 -22.399 2.915 1.00 71.21 H new ATOM 0 HG11 VAL A 13 19.415 -24.713 2.075 1.00 13.25 H new ATOM 0 HG12 VAL A 13 20.665 -23.719 1.289 1.00 13.25 H new ATOM 0 HG13 VAL A 13 21.120 -24.877 2.561 1.00 13.25 H new ATOM 0 HG21 VAL A 13 18.725 -24.241 4.400 1.00 11.25 H new ATOM 0 HG22 VAL A 13 20.401 -24.385 4.982 1.00 11.25 H new ATOM 0 HG23 VAL A 13 19.471 -22.903 5.306 1.00 11.25 H new ATOM 219 N GLY A 14 22.703 -23.081 5.462 1.00 72.14 N ATOM 220 CA GLY A 14 23.651 -23.915 6.177 1.00 13.23 C ATOM 221 C GLY A 14 23.581 -23.715 7.678 1.00 3.52 C ATOM 222 O GLY A 14 22.526 -23.384 8.219 1.00 52.12 O ATOM 0 H GLY A 14 22.239 -22.374 6.032 1.00 72.14 H new ATOM 0 HA2 GLY A 14 23.458 -24.962 5.944 1.00 13.23 H new ATOM 0 HA3 GLY A 14 24.660 -23.692 5.830 1.00 13.23 H new ATOM 226 N ARG A 15 24.708 -23.917 8.353 1.00 0.33 N ATOM 227 CA ARG A 15 24.770 -23.759 9.801 1.00 32.14 C ATOM 228 C ARG A 15 25.981 -22.923 10.206 1.00 34.31 C ATOM 229 O ARG A 15 27.103 -23.189 9.775 1.00 52.31 O ATOM 230 CB ARG A 15 24.830 -25.127 10.483 1.00 65.54 C ATOM 231 CG ARG A 15 23.472 -25.793 10.635 1.00 4.30 C ATOM 232 CD ARG A 15 23.204 -26.186 12.079 1.00 32.41 C ATOM 233 NE ARG A 15 24.194 -27.136 12.581 1.00 53.33 N ATOM 234 CZ ARG A 15 24.264 -28.402 12.185 1.00 44.21 C ATOM 235 NH1 ARG A 15 23.408 -28.868 11.286 1.00 12.35 N ATOM 236 NH2 ARG A 15 25.194 -29.204 12.688 1.00 73.54 N ATOM 0 H ARG A 15 25.590 -24.190 7.920 1.00 0.33 H new ATOM 0 HA ARG A 15 23.868 -23.239 10.123 1.00 32.14 H new ATOM 0 HB2 ARG A 15 25.484 -25.782 9.907 1.00 65.54 H new ATOM 0 HB3 ARG A 15 25.281 -25.013 11.469 1.00 65.54 H new ATOM 0 HG2 ARG A 15 22.692 -25.114 10.291 1.00 4.30 H new ATOM 0 HG3 ARG A 15 23.427 -26.679 10.001 1.00 4.30 H new ATOM 0 HD2 ARG A 15 23.209 -25.293 12.704 1.00 32.41 H new ATOM 0 HD3 ARG A 15 22.209 -26.624 12.157 1.00 32.41 H new ATOM 0 HE ARG A 15 24.868 -26.809 13.273 1.00 53.33 H new ATOM 0 HH11 ARG A 15 22.693 -28.254 10.896 1.00 12.35 H new ATOM 0 HH12 ARG A 15 23.465 -29.841 10.984 1.00 12.35 H new ATOM 0 HH21 ARG A 15 25.855 -28.848 13.379 1.00 73.54 H new ATOM 0 HH22 ARG A 15 25.248 -30.176 12.384 1.00 73.54 H new ATOM 250 N ASP A 16 25.745 -21.913 11.036 1.00 31.20 N ATOM 251 CA ASP A 16 26.816 -21.039 11.500 1.00 52.44 C ATOM 252 C ASP A 16 27.543 -21.654 12.691 1.00 34.13 C ATOM 253 O ASP A 16 27.245 -22.777 13.100 1.00 4.40 O ATOM 254 CB ASP A 16 26.255 -19.668 11.881 1.00 14.11 C ATOM 255 CG ASP A 16 25.286 -19.742 13.045 1.00 70.40 C ATOM 256 OD1 ASP A 16 24.868 -20.865 13.398 1.00 32.05 O ATOM 257 OD2 ASP A 16 24.947 -18.678 13.603 1.00 73.20 O ATOM 0 H ASP A 16 24.822 -21.679 11.401 1.00 31.20 H new ATOM 0 HA ASP A 16 27.530 -20.917 10.686 1.00 52.44 H new ATOM 0 HB2 ASP A 16 27.078 -19.001 12.139 1.00 14.11 H new ATOM 0 HB3 ASP A 16 25.750 -19.233 11.019 1.00 14.11 H new ATOM 262 N SER A 17 28.497 -20.912 13.244 1.00 60.04 N ATOM 263 CA SER A 17 29.270 -21.387 14.385 1.00 11.34 C ATOM 264 C SER A 17 28.354 -21.727 15.557 1.00 5.04 C ATOM 265 O SER A 17 28.692 -22.555 16.403 1.00 3.03 O ATOM 266 CB SER A 17 30.291 -20.330 14.811 1.00 24.43 C ATOM 267 OG SER A 17 31.399 -20.926 15.464 1.00 31.24 O ATOM 0 H SER A 17 28.753 -19.979 12.920 1.00 60.04 H new ATOM 0 HA SER A 17 29.798 -22.292 14.084 1.00 11.34 H new ATOM 0 HB2 SER A 17 30.634 -19.778 13.936 1.00 24.43 H new ATOM 0 HB3 SER A 17 29.817 -19.609 15.477 1.00 24.43 H new ATOM 0 HG SER A 17 32.038 -20.230 15.725 1.00 31.24 H new ATOM 273 N SER A 18 27.193 -21.081 15.600 1.00 23.40 N ATOM 274 CA SER A 18 26.229 -21.312 16.670 1.00 45.32 C ATOM 275 C SER A 18 25.336 -22.506 16.349 1.00 65.25 C ATOM 276 O SER A 18 24.628 -23.017 17.215 1.00 52.41 O ATOM 277 CB SER A 18 25.372 -20.064 16.890 1.00 51.14 C ATOM 278 OG SER A 18 24.173 -20.383 17.575 1.00 63.21 O ATOM 0 H SER A 18 26.897 -20.394 14.907 1.00 23.40 H new ATOM 0 HA SER A 18 26.782 -21.530 17.583 1.00 45.32 H new ATOM 0 HB2 SER A 18 25.936 -19.328 17.462 1.00 51.14 H new ATOM 0 HB3 SER A 18 25.135 -19.608 15.929 1.00 51.14 H new ATOM 0 HG SER A 18 24.154 -21.343 17.772 1.00 63.21 H new ATOM 284 N GLY A 19 25.377 -22.947 15.095 1.00 72.23 N ATOM 285 CA GLY A 19 24.567 -24.078 14.680 1.00 43.13 C ATOM 286 C GLY A 19 23.106 -23.909 15.043 1.00 35.14 C ATOM 287 O GLY A 19 22.640 -24.460 16.041 1.00 34.25 O ATOM 0 H GLY A 19 25.956 -22.542 14.360 1.00 72.23 H new ATOM 0 HA2 GLY A 19 24.657 -24.209 13.602 1.00 43.13 H new ATOM 0 HA3 GLY A 19 24.951 -24.986 15.145 1.00 43.13 H new ATOM 291 N CYS A 20 22.381 -23.145 14.234 1.00 12.31 N ATOM 292 CA CYS A 20 20.963 -22.903 14.477 1.00 1.44 C ATOM 293 C CYS A 20 20.234 -22.586 13.176 1.00 63.25 C ATOM 294 O CYS A 20 19.187 -21.939 13.179 1.00 54.14 O ATOM 295 CB CYS A 20 20.784 -21.752 15.469 1.00 72.10 C ATOM 296 SG CYS A 20 20.814 -22.261 17.204 1.00 63.13 S ATOM 0 H CYS A 20 22.751 -22.682 13.404 1.00 12.31 H new ATOM 0 HA CYS A 20 20.533 -23.810 14.901 1.00 1.44 H new ATOM 0 HB2 CYS A 20 21.572 -21.018 15.303 1.00 72.10 H new ATOM 0 HB3 CYS A 20 19.836 -21.254 15.264 1.00 72.10 H new ATOM 0 HG CYS A 20 21.539 -23.333 17.329 1.00 63.13 H new ATOM 302 N THR A 21 20.796 -23.046 12.062 1.00 44.22 N ATOM 303 CA THR A 21 20.202 -22.810 10.752 1.00 3.31 C ATOM 304 C THR A 21 20.148 -21.320 10.433 1.00 21.14 C ATOM 305 O THR A 21 19.273 -20.602 10.918 1.00 2.43 O ATOM 306 CB THR A 21 18.779 -23.393 10.667 1.00 23.43 C ATOM 307 OG1 THR A 21 18.667 -24.537 11.522 1.00 41.11 O ATOM 308 CG2 THR A 21 18.440 -23.787 9.238 1.00 63.24 C ATOM 0 H THR A 21 21.662 -23.584 12.041 1.00 44.22 H new ATOM 0 HA THR A 21 20.837 -23.312 10.022 1.00 3.31 H new ATOM 0 HB THR A 21 18.076 -22.626 10.992 1.00 23.43 H new ATOM 0 HG1 THR A 21 17.759 -24.901 11.464 1.00 41.11 H new ATOM 0 HG21 THR A 21 17.430 -24.196 9.203 1.00 63.24 H new ATOM 0 HG22 THR A 21 18.498 -22.909 8.595 1.00 63.24 H new ATOM 0 HG23 THR A 21 19.148 -24.539 8.890 1.00 63.24 H new ATOM 316 N THR A 22 21.089 -20.860 9.614 1.00 74.22 N ATOM 317 CA THR A 22 21.148 -19.455 9.230 1.00 21.45 C ATOM 318 C THR A 22 21.563 -19.301 7.772 1.00 53.42 C ATOM 319 O THR A 22 22.432 -20.023 7.283 1.00 63.02 O ATOM 320 CB THR A 22 22.133 -18.672 10.118 1.00 24.13 C ATOM 321 OG1 THR A 22 23.480 -18.943 9.713 1.00 32.00 O ATOM 322 CG2 THR A 22 21.955 -19.043 11.583 1.00 72.13 C ATOM 0 H THR A 22 21.821 -21.440 9.204 1.00 74.22 H new ATOM 0 HA THR A 22 20.146 -19.048 9.364 1.00 21.45 H new ATOM 0 HB THR A 22 21.925 -17.608 10.001 1.00 24.13 H new ATOM 0 HG1 THR A 22 23.768 -19.802 10.087 1.00 32.00 H new ATOM 0 HG21 THR A 22 22.662 -18.477 12.190 1.00 72.13 H new ATOM 0 HG22 THR A 22 20.938 -18.808 11.897 1.00 72.13 H new ATOM 0 HG23 THR A 22 22.138 -20.110 11.713 1.00 72.13 H new ATOM 330 N LEU A 23 20.936 -18.355 7.081 1.00 44.51 N ATOM 331 CA LEU A 23 21.241 -18.104 5.676 1.00 22.14 C ATOM 332 C LEU A 23 22.074 -16.836 5.518 1.00 62.23 C ATOM 333 O LEU A 23 21.665 -15.755 5.941 1.00 33.41 O ATOM 334 CB LEU A 23 19.949 -17.983 4.867 1.00 34.43 C ATOM 335 CG LEU A 23 19.345 -19.296 4.367 1.00 60.12 C ATOM 336 CD1 LEU A 23 19.143 -20.265 5.521 1.00 23.33 C ATOM 337 CD2 LEU A 23 18.029 -19.038 3.648 1.00 34.24 C ATOM 0 H LEU A 23 20.214 -17.749 7.470 1.00 44.51 H new ATOM 0 HA LEU A 23 21.821 -18.947 5.299 1.00 22.14 H new ATOM 0 HB2 LEU A 23 19.206 -17.475 5.481 1.00 34.43 H new ATOM 0 HB3 LEU A 23 20.142 -17.344 4.006 1.00 34.43 H new ATOM 0 HG LEU A 23 20.041 -19.747 3.659 1.00 60.12 H new ATOM 0 HD11 LEU A 23 18.712 -21.193 5.146 1.00 23.33 H new ATOM 0 HD12 LEU A 23 20.103 -20.475 5.992 1.00 23.33 H new ATOM 0 HD13 LEU A 23 18.468 -19.822 6.254 1.00 23.33 H new ATOM 0 HD21 LEU A 23 17.614 -19.983 3.299 1.00 34.24 H new ATOM 0 HD22 LEU A 23 17.327 -18.564 4.334 1.00 34.24 H new ATOM 0 HD23 LEU A 23 18.203 -18.381 2.795 1.00 34.24 H new ATOM 349 N SER A 24 23.244 -16.976 4.903 1.00 64.21 N ATOM 350 CA SER A 24 24.136 -15.842 4.689 1.00 20.33 C ATOM 351 C SER A 24 24.025 -15.326 3.258 1.00 62.32 C ATOM 352 O SER A 24 23.987 -16.107 2.306 1.00 31.04 O ATOM 353 CB SER A 24 25.582 -16.240 4.989 1.00 25.35 C ATOM 354 OG SER A 24 26.476 -15.184 4.684 1.00 50.24 O ATOM 0 H SER A 24 23.596 -17.863 4.544 1.00 64.21 H new ATOM 0 HA SER A 24 23.838 -15.044 5.369 1.00 20.33 H new ATOM 0 HB2 SER A 24 25.678 -16.509 6.041 1.00 25.35 H new ATOM 0 HB3 SER A 24 25.847 -17.124 4.409 1.00 25.35 H new ATOM 0 HG SER A 24 27.393 -15.463 4.886 1.00 50.24 H new ATOM 360 N ILE A 25 23.974 -14.006 3.114 1.00 61.41 N ATOM 361 CA ILE A 25 23.869 -13.385 1.799 1.00 32.34 C ATOM 362 C ILE A 25 25.240 -12.971 1.276 1.00 73.34 C ATOM 363 O ILE A 25 25.930 -12.159 1.891 1.00 61.32 O ATOM 364 CB ILE A 25 22.950 -12.150 1.832 1.00 13.04 C ATOM 365 CG1 ILE A 25 21.701 -12.438 2.668 1.00 30.51 C ATOM 366 CG2 ILE A 25 22.565 -11.738 0.419 1.00 34.43 C ATOM 367 CD1 ILE A 25 20.918 -13.641 2.189 1.00 12.41 C ATOM 0 H ILE A 25 24.004 -13.346 3.891 1.00 61.41 H new ATOM 0 HA ILE A 25 23.438 -14.131 1.131 1.00 32.34 H new ATOM 0 HB ILE A 25 23.492 -11.325 2.295 1.00 13.04 H new ATOM 0 HG12 ILE A 25 21.996 -12.596 3.705 1.00 30.51 H new ATOM 0 HG13 ILE A 25 21.052 -11.562 2.651 1.00 30.51 H new ATOM 0 HG21 ILE A 25 21.915 -10.864 0.459 1.00 34.43 H new ATOM 0 HG22 ILE A 25 23.464 -11.496 -0.147 1.00 34.43 H new ATOM 0 HG23 ILE A 25 22.039 -12.559 -0.069 1.00 34.43 H new ATOM 0 HD11 ILE A 25 20.047 -13.786 2.828 1.00 12.41 H new ATOM 0 HD12 ILE A 25 20.592 -13.478 1.162 1.00 12.41 H new ATOM 0 HD13 ILE A 25 21.551 -14.528 2.232 1.00 12.41 H new ATOM 379 N GLN A 26 25.626 -13.534 0.135 1.00 1.11 N ATOM 380 CA GLN A 26 26.914 -13.222 -0.472 1.00 45.21 C ATOM 381 C GLN A 26 26.786 -12.066 -1.459 1.00 34.02 C ATOM 382 O GLN A 26 27.670 -11.841 -2.284 1.00 23.12 O ATOM 383 CB GLN A 26 27.479 -14.453 -1.182 1.00 22.40 C ATOM 384 CG GLN A 26 27.788 -15.608 -0.243 1.00 63.42 C ATOM 385 CD GLN A 26 27.244 -16.931 -0.746 1.00 63.02 C ATOM 386 OE1 GLN A 26 27.981 -17.749 -1.297 1.00 63.32 O ATOM 387 NE2 GLN A 26 25.948 -17.148 -0.559 1.00 13.21 N ATOM 0 H GLN A 26 25.065 -14.208 -0.387 1.00 1.11 H new ATOM 0 HA GLN A 26 27.598 -12.923 0.323 1.00 45.21 H new ATOM 0 HB2 GLN A 26 26.765 -14.788 -1.934 1.00 22.40 H new ATOM 0 HB3 GLN A 26 28.390 -14.171 -1.710 1.00 22.40 H new ATOM 0 HG2 GLN A 26 28.867 -15.688 -0.115 1.00 63.42 H new ATOM 0 HG3 GLN A 26 27.366 -15.396 0.739 1.00 63.42 H new ATOM 0 HE21 GLN A 26 25.374 -16.442 -0.097 1.00 13.21 H new ATOM 0 HE22 GLN A 26 25.526 -18.021 -0.877 1.00 13.21 H new ATOM 396 N GLU A 27 25.678 -11.337 -1.367 1.00 74.04 N ATOM 397 CA GLU A 27 25.434 -10.205 -2.254 1.00 35.23 C ATOM 398 C GLU A 27 24.724 -9.076 -1.512 1.00 22.14 C ATOM 399 O GLU A 27 24.297 -9.241 -0.369 1.00 22.32 O ATOM 400 CB GLU A 27 24.597 -10.643 -3.458 1.00 43.00 C ATOM 401 CG GLU A 27 25.221 -10.281 -4.796 1.00 34.13 C ATOM 402 CD GLU A 27 26.273 -11.279 -5.238 1.00 30.20 C ATOM 403 OE1 GLU A 27 26.381 -12.349 -4.603 1.00 72.13 O ATOM 404 OE2 GLU A 27 26.989 -10.990 -6.220 1.00 12.33 O ATOM 0 H GLU A 27 24.936 -11.510 -0.688 1.00 74.04 H new ATOM 0 HA GLU A 27 26.398 -9.837 -2.605 1.00 35.23 H new ATOM 0 HB2 GLU A 27 24.450 -11.722 -3.415 1.00 43.00 H new ATOM 0 HB3 GLU A 27 23.610 -10.184 -3.390 1.00 43.00 H new ATOM 0 HG2 GLU A 27 24.439 -10.223 -5.553 1.00 34.13 H new ATOM 0 HG3 GLU A 27 25.671 -9.291 -4.727 1.00 34.13 H new ATOM 411 N VAL A 28 24.603 -7.928 -2.170 1.00 12.31 N ATOM 412 CA VAL A 28 23.945 -6.771 -1.574 1.00 43.32 C ATOM 413 C VAL A 28 22.697 -6.384 -2.359 1.00 12.32 C ATOM 414 O VAL A 28 22.777 -5.691 -3.374 1.00 62.21 O ATOM 415 CB VAL A 28 24.893 -5.559 -1.508 1.00 43.44 C ATOM 416 CG1 VAL A 28 25.858 -5.697 -0.340 1.00 73.53 C ATOM 417 CG2 VAL A 28 25.649 -5.402 -2.819 1.00 65.31 C ATOM 0 H VAL A 28 24.952 -7.774 -3.116 1.00 12.31 H new ATOM 0 HA VAL A 28 23.660 -7.056 -0.561 1.00 43.32 H new ATOM 0 HB VAL A 28 24.295 -4.661 -1.349 1.00 43.44 H new ATOM 0 HG11 VAL A 28 26.519 -4.831 -0.310 1.00 73.53 H new ATOM 0 HG12 VAL A 28 25.295 -5.756 0.592 1.00 73.53 H new ATOM 0 HG13 VAL A 28 26.452 -6.603 -0.463 1.00 73.53 H new ATOM 0 HG21 VAL A 28 26.314 -4.541 -2.755 1.00 65.31 H new ATOM 0 HG22 VAL A 28 26.236 -6.300 -3.010 1.00 65.31 H new ATOM 0 HG23 VAL A 28 24.939 -5.252 -3.633 1.00 65.31 H new ATOM 427 N THR A 29 21.541 -6.835 -1.882 1.00 11.14 N ATOM 428 CA THR A 29 20.274 -6.537 -2.538 1.00 44.22 C ATOM 429 C THR A 29 19.620 -5.300 -1.934 1.00 35.12 C ATOM 430 O THR A 29 18.410 -5.108 -2.052 1.00 13.33 O ATOM 431 CB THR A 29 19.297 -7.723 -2.437 1.00 55.34 C ATOM 432 OG1 THR A 29 18.093 -7.428 -3.155 1.00 41.31 O ATOM 433 CG2 THR A 29 18.965 -8.028 -0.985 1.00 34.44 C ATOM 0 H THR A 29 21.456 -7.409 -1.043 1.00 11.14 H new ATOM 0 HA THR A 29 20.498 -6.349 -3.588 1.00 44.22 H new ATOM 0 HB THR A 29 19.776 -8.598 -2.875 1.00 55.34 H new ATOM 0 HG1 THR A 29 17.732 -6.569 -2.850 1.00 41.31 H new ATOM 0 HG21 THR A 29 18.273 -8.869 -0.939 1.00 34.44 H new ATOM 0 HG22 THR A 29 19.879 -8.280 -0.448 1.00 34.44 H new ATOM 0 HG23 THR A 29 18.504 -7.154 -0.526 1.00 34.44 H new ATOM 441 N GLN A 30 20.427 -4.465 -1.288 1.00 15.15 N ATOM 442 CA GLN A 30 19.924 -3.246 -0.665 1.00 33.12 C ATOM 443 C GLN A 30 20.212 -2.030 -1.538 1.00 43.51 C ATOM 444 O GLN A 30 20.467 -0.935 -1.034 1.00 32.34 O ATOM 445 CB GLN A 30 20.552 -3.057 0.717 1.00 63.41 C ATOM 446 CG GLN A 30 19.888 -3.885 1.806 1.00 41.24 C ATOM 447 CD GLN A 30 18.813 -3.116 2.549 1.00 64.22 C ATOM 448 OE1 GLN A 30 17.706 -2.928 2.043 1.00 24.03 O ATOM 449 NE2 GLN A 30 19.134 -2.667 3.757 1.00 62.24 N ATOM 0 H GLN A 30 21.431 -4.610 -1.182 1.00 15.15 H new ATOM 0 HA GLN A 30 18.844 -3.344 -0.555 1.00 33.12 H new ATOM 0 HB2 GLN A 30 21.609 -3.320 0.666 1.00 63.41 H new ATOM 0 HB3 GLN A 30 20.499 -2.003 0.990 1.00 63.41 H new ATOM 0 HG2 GLN A 30 19.449 -4.778 1.361 1.00 41.24 H new ATOM 0 HG3 GLN A 30 20.645 -4.221 2.515 1.00 41.24 H new ATOM 0 HE21 GLN A 30 20.063 -2.846 4.137 1.00 62.24 H new ATOM 0 HE22 GLN A 30 18.451 -2.143 4.304 1.00 62.24 H new ATOM 458 N THR A 31 20.172 -2.227 -2.852 1.00 75.32 N ATOM 459 CA THR A 31 20.430 -1.147 -3.796 1.00 60.30 C ATOM 460 C THR A 31 19.414 -1.155 -4.932 1.00 71.24 C ATOM 461 O THR A 31 19.717 -0.743 -6.052 1.00 64.33 O ATOM 462 CB THR A 31 21.848 -1.247 -4.390 1.00 31.43 C ATOM 463 OG1 THR A 31 22.059 -2.554 -4.936 1.00 61.10 O ATOM 464 CG2 THR A 31 22.900 -0.959 -3.329 1.00 60.34 C ATOM 0 H THR A 31 19.963 -3.126 -3.287 1.00 75.32 H new ATOM 0 HA THR A 31 20.342 -0.214 -3.240 1.00 60.30 H new ATOM 0 HB THR A 31 21.940 -0.504 -5.182 1.00 31.43 H new ATOM 0 HG1 THR A 31 22.962 -2.609 -5.313 1.00 61.10 H new ATOM 0 HG21 THR A 31 23.893 -1.035 -3.771 1.00 60.34 H new ATOM 0 HG22 THR A 31 22.754 0.047 -2.936 1.00 60.34 H new ATOM 0 HG23 THR A 31 22.807 -1.682 -2.519 1.00 60.34 H new ATOM 472 N TYR A 32 18.207 -1.625 -4.637 1.00 62.52 N ATOM 473 CA TYR A 32 17.146 -1.688 -5.635 1.00 63.35 C ATOM 474 C TYR A 32 15.787 -1.399 -5.005 1.00 44.53 C ATOM 475 O TYR A 32 15.569 -1.661 -3.822 1.00 72.51 O ATOM 476 CB TYR A 32 17.128 -3.064 -6.305 1.00 13.34 C ATOM 477 CG TYR A 32 16.348 -4.103 -5.531 1.00 41.11 C ATOM 478 CD1 TYR A 32 16.610 -4.339 -4.187 1.00 63.13 C ATOM 479 CD2 TYR A 32 15.348 -4.848 -6.144 1.00 62.11 C ATOM 480 CE1 TYR A 32 15.901 -5.288 -3.477 1.00 70.11 C ATOM 481 CE2 TYR A 32 14.633 -5.798 -5.441 1.00 73.24 C ATOM 482 CZ TYR A 32 14.913 -6.015 -4.108 1.00 41.14 C ATOM 483 OH TYR A 32 14.203 -6.960 -3.404 1.00 62.10 O ATOM 0 H TYR A 32 17.939 -1.968 -3.715 1.00 62.52 H new ATOM 0 HA TYR A 32 17.346 -0.927 -6.389 1.00 63.35 H new ATOM 0 HB2 TYR A 32 16.699 -2.968 -7.302 1.00 13.34 H new ATOM 0 HB3 TYR A 32 18.154 -3.411 -6.431 1.00 13.34 H new ATOM 0 HD1 TYR A 32 17.381 -3.770 -3.689 1.00 63.13 H new ATOM 0 HD2 TYR A 32 15.126 -4.681 -7.188 1.00 62.11 H new ATOM 0 HE1 TYR A 32 16.119 -5.460 -2.433 1.00 70.11 H new ATOM 0 HE2 TYR A 32 13.859 -6.368 -5.933 1.00 73.24 H new ATOM 0 HH TYR A 32 13.544 -7.381 -3.995 1.00 62.10 H new ATOM 493 N THR A 33 14.875 -0.855 -5.805 1.00 43.31 N ATOM 494 CA THR A 33 13.538 -0.528 -5.328 1.00 34.02 C ATOM 495 C THR A 33 12.569 -0.345 -6.490 1.00 54.33 C ATOM 496 O THR A 33 12.903 -0.625 -7.640 1.00 63.24 O ATOM 497 CB THR A 33 13.544 0.753 -4.472 1.00 75.05 C ATOM 498 OG1 THR A 33 12.324 0.851 -3.728 1.00 23.52 O ATOM 499 CG2 THR A 33 13.710 1.987 -5.347 1.00 32.32 C ATOM 0 H THR A 33 15.039 -0.632 -6.787 1.00 43.31 H new ATOM 0 HA THR A 33 13.209 -1.365 -4.713 1.00 34.02 H new ATOM 0 HB THR A 33 14.386 0.699 -3.782 1.00 75.05 H new ATOM 0 HG1 THR A 33 12.508 0.704 -2.777 1.00 23.52 H new ATOM 0 HG21 THR A 33 13.711 2.879 -4.721 1.00 32.32 H new ATOM 0 HG22 THR A 33 14.653 1.924 -5.890 1.00 32.32 H new ATOM 0 HG23 THR A 33 12.885 2.043 -6.057 1.00 32.32 H new ATOM 507 N GLY A 34 11.365 0.129 -6.182 1.00 72.15 N ATOM 508 CA GLY A 34 10.366 0.342 -7.213 1.00 53.12 C ATOM 509 C GLY A 34 9.142 1.070 -6.693 1.00 3.30 C ATOM 510 O GLY A 34 9.217 1.792 -5.699 1.00 2.13 O ATOM 0 H GLY A 34 11.064 0.369 -5.237 1.00 72.15 H new ATOM 0 HA2 GLY A 34 10.807 0.915 -8.029 1.00 53.12 H new ATOM 0 HA3 GLY A 34 10.064 -0.620 -7.626 1.00 53.12 H new ATOM 514 N SER A 35 8.012 0.882 -7.367 1.00 44.54 N ATOM 515 CA SER A 35 6.768 1.532 -6.971 1.00 24.44 C ATOM 516 C SER A 35 6.885 3.048 -7.090 1.00 10.12 C ATOM 517 O SER A 35 7.763 3.561 -7.782 1.00 53.52 O ATOM 518 CB SER A 35 6.404 1.148 -5.535 1.00 54.02 C ATOM 519 OG SER A 35 5.021 0.860 -5.420 1.00 71.42 O ATOM 0 H SER A 35 7.932 0.285 -8.190 1.00 44.54 H new ATOM 0 HA SER A 35 5.979 1.193 -7.642 1.00 24.44 H new ATOM 0 HB2 SER A 35 6.986 0.279 -5.229 1.00 54.02 H new ATOM 0 HB3 SER A 35 6.667 1.962 -4.860 1.00 54.02 H new ATOM 0 HG SER A 35 4.814 0.616 -4.494 1.00 71.42 H new ATOM 525 N ASN A 36 5.992 3.759 -6.409 1.00 2.31 N ATOM 526 CA ASN A 36 5.993 5.217 -6.438 1.00 44.41 C ATOM 527 C ASN A 36 7.380 5.767 -6.119 1.00 25.32 C ATOM 528 O ASN A 36 7.723 6.882 -6.510 1.00 22.35 O ATOM 529 CB ASN A 36 4.972 5.769 -5.441 1.00 42.13 C ATOM 530 CG ASN A 36 3.642 6.090 -6.094 1.00 74.44 C ATOM 531 OD1 ASN A 36 3.391 5.709 -7.238 1.00 21.40 O ATOM 532 ND2 ASN A 36 2.781 6.794 -5.369 1.00 31.13 N ATOM 0 H ASN A 36 5.259 3.349 -5.831 1.00 2.31 H new ATOM 0 HA ASN A 36 5.718 5.535 -7.444 1.00 44.41 H new ATOM 0 HB2 ASN A 36 4.816 5.042 -4.644 1.00 42.13 H new ATOM 0 HB3 ASN A 36 5.372 6.670 -4.976 1.00 42.13 H new ATOM 0 HD21 ASN A 36 1.870 7.040 -5.756 1.00 31.13 H new ATOM 0 HD22 ASN A 36 3.031 7.089 -4.425 1.00 31.13 H new ATOM 539 N GLY A 37 8.175 4.974 -5.406 1.00 2.34 N ATOM 540 CA GLY A 37 9.516 5.398 -5.046 1.00 71.20 C ATOM 541 C GLY A 37 10.587 4.629 -5.794 1.00 51.23 C ATOM 542 O GLY A 37 11.654 4.348 -5.250 1.00 51.22 O ATOM 0 H GLY A 37 7.914 4.046 -5.072 1.00 2.34 H new ATOM 0 HA2 GLY A 37 9.625 6.462 -5.254 1.00 71.20 H new ATOM 0 HA3 GLY A 37 9.660 5.266 -3.974 1.00 71.20 H new ATOM 546 N GLY A 38 10.301 4.286 -7.047 1.00 4.31 N ATOM 547 CA GLY A 38 11.258 3.547 -7.850 1.00 33.11 C ATOM 548 C GLY A 38 12.503 4.354 -8.158 1.00 51.44 C ATOM 549 O GLY A 38 12.430 5.565 -8.366 1.00 11.21 O ATOM 0 H GLY A 38 9.424 4.507 -7.520 1.00 4.31 H new ATOM 0 HA2 GLY A 38 11.541 2.635 -7.324 1.00 33.11 H new ATOM 0 HA3 GLY A 38 10.786 3.243 -8.784 1.00 33.11 H new ATOM 553 N ALA A 39 13.650 3.683 -8.187 1.00 55.21 N ATOM 554 CA ALA A 39 14.916 4.346 -8.473 1.00 11.24 C ATOM 555 C ALA A 39 16.021 3.329 -8.735 1.00 22.12 C ATOM 556 O ALA A 39 16.563 3.257 -9.838 1.00 74.12 O ATOM 557 CB ALA A 39 15.302 5.264 -7.322 1.00 64.31 C ATOM 0 H ALA A 39 13.728 2.681 -8.016 1.00 55.21 H new ATOM 0 HA ALA A 39 14.789 4.945 -9.375 1.00 11.24 H new ATOM 0 HB1 ALA A 39 16.249 5.753 -7.549 1.00 64.31 H new ATOM 0 HB2 ALA A 39 14.528 6.019 -7.183 1.00 64.31 H new ATOM 0 HB3 ALA A 39 15.405 4.678 -6.408 1.00 64.31 H new ATOM 563 N ASP A 40 16.352 2.545 -7.714 1.00 52.43 N ATOM 564 CA ASP A 40 17.393 1.531 -7.835 1.00 0.52 C ATOM 565 C ASP A 40 18.755 2.177 -8.072 1.00 71.41 C ATOM 566 O ASP A 40 18.999 2.767 -9.125 1.00 63.33 O ATOM 567 CB ASP A 40 17.066 0.567 -8.976 1.00 10.10 C ATOM 568 CG ASP A 40 15.609 0.147 -8.979 1.00 64.41 C ATOM 569 OD1 ASP A 40 14.764 0.940 -9.443 1.00 2.12 O ATOM 570 OD2 ASP A 40 15.314 -0.976 -8.517 1.00 45.30 O ATOM 0 H ASP A 40 15.914 2.593 -6.794 1.00 52.43 H new ATOM 0 HA ASP A 40 17.433 0.973 -6.900 1.00 0.52 H new ATOM 0 HB2 ASP A 40 17.307 1.040 -9.928 1.00 10.10 H new ATOM 0 HB3 ASP A 40 17.696 -0.318 -8.892 1.00 10.10 H new ATOM 575 N LEU A 41 19.638 2.061 -7.086 1.00 50.54 N ATOM 576 CA LEU A 41 20.976 2.634 -7.187 1.00 12.40 C ATOM 577 C LEU A 41 21.803 2.308 -5.948 1.00 33.44 C ATOM 578 O LEU A 41 22.714 1.483 -5.998 1.00 24.53 O ATOM 579 CB LEU A 41 20.890 4.150 -7.372 1.00 2.53 C ATOM 580 CG LEU A 41 22.186 4.929 -7.141 1.00 70.12 C ATOM 581 CD1 LEU A 41 23.306 4.370 -8.005 1.00 74.42 C ATOM 582 CD2 LEU A 41 21.977 6.409 -7.428 1.00 22.22 C ATOM 0 H LEU A 41 19.452 1.576 -6.208 1.00 50.54 H new ATOM 0 HA LEU A 41 21.468 2.195 -8.055 1.00 12.40 H new ATOM 0 HB2 LEU A 41 20.543 4.353 -8.385 1.00 2.53 H new ATOM 0 HB3 LEU A 41 20.131 4.536 -6.692 1.00 2.53 H new ATOM 0 HG LEU A 41 22.472 4.819 -6.095 1.00 70.12 H new ATOM 0 HD11 LEU A 41 24.220 4.937 -7.827 1.00 74.42 H new ATOM 0 HD12 LEU A 41 23.473 3.323 -7.752 1.00 74.42 H new ATOM 0 HD13 LEU A 41 23.029 4.449 -9.056 1.00 74.42 H new ATOM 0 HD21 LEU A 41 22.909 6.948 -7.258 1.00 22.22 H new ATOM 0 HD22 LEU A 41 21.667 6.538 -8.465 1.00 22.22 H new ATOM 0 HD23 LEU A 41 21.205 6.802 -6.767 1.00 22.22 H new ATOM 594 N MET A 42 21.476 2.959 -4.836 1.00 63.11 N ATOM 595 CA MET A 42 22.187 2.735 -3.583 1.00 30.54 C ATOM 596 C MET A 42 21.619 3.611 -2.471 1.00 51.31 C ATOM 597 O MET A 42 21.634 4.838 -2.566 1.00 21.22 O ATOM 598 CB MET A 42 23.680 3.019 -3.760 1.00 33.01 C ATOM 599 CG MET A 42 24.554 1.783 -3.625 1.00 21.04 C ATOM 600 SD MET A 42 26.299 2.186 -3.417 1.00 43.13 S ATOM 601 CE MET A 42 27.067 0.825 -4.293 1.00 4.34 C ATOM 0 H MET A 42 20.724 3.645 -4.777 1.00 63.11 H new ATOM 0 HA MET A 42 22.055 1.690 -3.302 1.00 30.54 H new ATOM 0 HB2 MET A 42 23.843 3.464 -4.742 1.00 33.01 H new ATOM 0 HB3 MET A 42 23.991 3.757 -3.020 1.00 33.01 H new ATOM 0 HG2 MET A 42 24.216 1.196 -2.771 1.00 21.04 H new ATOM 0 HG3 MET A 42 24.432 1.158 -4.510 1.00 21.04 H new ATOM 0 HE1 MET A 42 28.151 0.932 -4.254 1.00 4.34 H new ATOM 0 HE2 MET A 42 26.779 -0.117 -3.827 1.00 4.34 H new ATOM 0 HE3 MET A 42 26.739 0.830 -5.333 1.00 4.34 H new ATOM 611 N GLY A 43 21.118 2.973 -1.418 1.00 13.34 N ATOM 612 CA GLY A 43 20.551 3.711 -0.304 1.00 4.42 C ATOM 613 C GLY A 43 20.589 2.925 0.992 1.00 50.33 C ATOM 614 O GLY A 43 21.420 3.169 1.867 1.00 51.11 O ATOM 0 H GLY A 43 21.094 1.958 -1.316 1.00 13.34 H new ATOM 0 HA2 GLY A 43 21.098 4.645 -0.175 1.00 4.42 H new ATOM 0 HA3 GLY A 43 19.519 3.975 -0.535 1.00 4.42 H new ATOM 618 N PRO A 44 19.670 1.958 1.128 1.00 63.40 N ATOM 619 CA PRO A 44 19.580 1.114 2.324 1.00 43.24 C ATOM 620 C PRO A 44 20.756 0.150 2.443 1.00 52.31 C ATOM 621 O PRO A 44 20.903 -0.543 3.449 1.00 14.32 O ATOM 622 CB PRO A 44 18.275 0.342 2.116 1.00 52.41 C ATOM 623 CG PRO A 44 18.080 0.318 0.639 1.00 11.31 C ATOM 624 CD PRO A 44 18.649 1.612 0.125 1.00 31.21 C ATOM 0 HA PRO A 44 19.601 1.703 3.241 1.00 43.24 H new ATOM 0 HB2 PRO A 44 18.343 -0.667 2.523 1.00 52.41 H new ATOM 0 HB3 PRO A 44 17.441 0.832 2.618 1.00 52.41 H new ATOM 0 HG2 PRO A 44 18.588 -0.537 0.192 1.00 11.31 H new ATOM 0 HG3 PRO A 44 17.023 0.229 0.386 1.00 11.31 H new ATOM 0 HD2 PRO A 44 19.084 1.493 -0.867 1.00 31.21 H new ATOM 0 HD3 PRO A 44 17.884 2.385 0.047 1.00 31.21 H new ATOM 632 N ALA A 45 21.591 0.112 1.410 1.00 72.13 N ATOM 633 CA ALA A 45 22.755 -0.765 1.400 1.00 32.45 C ATOM 634 C ALA A 45 23.924 -0.133 2.147 1.00 25.44 C ATOM 635 O ALA A 45 24.355 -0.636 3.186 1.00 43.24 O ATOM 636 CB ALA A 45 23.156 -1.095 -0.030 1.00 33.23 C ATOM 0 H ALA A 45 21.483 0.679 0.569 1.00 72.13 H new ATOM 0 HA ALA A 45 22.487 -1.689 1.912 1.00 32.45 H new ATOM 0 HB1 ALA A 45 24.027 -1.751 -0.022 1.00 33.23 H new ATOM 0 HB2 ALA A 45 22.329 -1.596 -0.533 1.00 33.23 H new ATOM 0 HB3 ALA A 45 23.400 -0.175 -0.561 1.00 33.23 H new ATOM 642 N PHE A 46 24.435 0.971 1.612 1.00 30.34 N ATOM 643 CA PHE A 46 25.557 1.670 2.228 1.00 54.52 C ATOM 644 C PHE A 46 25.139 2.312 3.548 1.00 61.01 C ATOM 645 O PHE A 46 25.971 2.562 4.419 1.00 22.55 O ATOM 646 CB PHE A 46 26.101 2.739 1.278 1.00 4.31 C ATOM 647 CG PHE A 46 27.514 2.485 0.836 1.00 70.40 C ATOM 648 CD1 PHE A 46 27.846 1.313 0.174 1.00 2.42 C ATOM 649 CD2 PHE A 46 28.510 3.416 1.081 1.00 15.45 C ATOM 650 CE1 PHE A 46 29.145 1.076 -0.233 1.00 5.31 C ATOM 651 CE2 PHE A 46 29.811 3.185 0.676 1.00 34.02 C ATOM 652 CZ PHE A 46 30.129 2.014 0.017 1.00 34.32 C ATOM 0 H PHE A 46 24.090 1.401 0.754 1.00 30.34 H new ATOM 0 HA PHE A 46 26.341 0.940 2.431 1.00 54.52 H new ATOM 0 HB2 PHE A 46 25.458 2.794 0.399 1.00 4.31 H new ATOM 0 HB3 PHE A 46 26.052 3.710 1.770 1.00 4.31 H new ATOM 0 HD1 PHE A 46 27.081 0.577 -0.026 1.00 2.42 H new ATOM 0 HD2 PHE A 46 28.267 4.334 1.595 1.00 15.45 H new ATOM 0 HE1 PHE A 46 29.391 0.158 -0.746 1.00 5.31 H new ATOM 0 HE2 PHE A 46 30.578 3.919 0.875 1.00 34.02 H new ATOM 0 HZ PHE A 46 31.144 1.831 -0.302 1.00 34.32 H new ATOM 662 N ALA A 47 23.844 2.577 3.687 1.00 62.33 N ATOM 663 CA ALA A 47 23.315 3.188 4.900 1.00 61.52 C ATOM 664 C ALA A 47 23.281 2.186 6.049 1.00 30.20 C ATOM 665 O ALA A 47 23.589 2.526 7.191 1.00 62.02 O ATOM 666 CB ALA A 47 21.924 3.749 4.645 1.00 61.32 C ATOM 0 H ALA A 47 23.142 2.378 2.974 1.00 62.33 H new ATOM 0 HA ALA A 47 23.978 4.005 5.185 1.00 61.52 H new ATOM 0 HB1 ALA A 47 21.541 4.202 5.559 1.00 61.32 H new ATOM 0 HB2 ALA A 47 21.974 4.503 3.860 1.00 61.32 H new ATOM 0 HB3 ALA A 47 21.259 2.944 4.333 1.00 61.32 H new ATOM 672 N ALA A 48 22.904 0.950 5.739 1.00 35.33 N ATOM 673 CA ALA A 48 22.830 -0.102 6.746 1.00 5.43 C ATOM 674 C ALA A 48 24.146 -0.868 6.836 1.00 12.25 C ATOM 675 O ALA A 48 24.377 -1.614 7.787 1.00 1.31 O ATOM 676 CB ALA A 48 21.684 -1.052 6.435 1.00 60.23 C ATOM 0 H ALA A 48 22.645 0.652 4.798 1.00 35.33 H new ATOM 0 HA ALA A 48 22.645 0.367 7.713 1.00 5.43 H new ATOM 0 HB1 ALA A 48 21.641 -1.832 7.195 1.00 60.23 H new ATOM 0 HB2 ALA A 48 20.745 -0.499 6.429 1.00 60.23 H new ATOM 0 HB3 ALA A 48 21.844 -1.507 5.457 1.00 60.23 H new ATOM 682 N GLY A 49 25.005 -0.679 5.839 1.00 21.14 N ATOM 683 CA GLY A 49 26.286 -1.360 5.825 1.00 25.25 C ATOM 684 C GLY A 49 26.205 -2.736 5.193 1.00 1.43 C ATOM 685 O GLY A 49 27.109 -3.556 5.356 1.00 30.40 O ATOM 0 H GLY A 49 24.836 -0.066 5.041 1.00 21.14 H new ATOM 0 HA2 GLY A 49 27.010 -0.755 5.279 1.00 25.25 H new ATOM 0 HA3 GLY A 49 26.655 -1.454 6.846 1.00 25.25 H new ATOM 689 N LEU A 50 25.119 -2.990 4.472 1.00 43.35 N ATOM 690 CA LEU A 50 24.922 -4.277 3.813 1.00 11.35 C ATOM 691 C LEU A 50 26.162 -4.679 3.021 1.00 13.12 C ATOM 692 O LEU A 50 26.585 -3.969 2.109 1.00 52.21 O ATOM 693 CB LEU A 50 23.707 -4.216 2.886 1.00 61.42 C ATOM 694 CG LEU A 50 22.874 -5.495 2.787 1.00 50.20 C ATOM 695 CD1 LEU A 50 23.762 -6.687 2.469 1.00 62.55 C ATOM 696 CD2 LEU A 50 22.104 -5.731 4.078 1.00 11.41 C ATOM 0 H LEU A 50 24.361 -2.322 4.329 1.00 43.35 H new ATOM 0 HA LEU A 50 24.747 -5.029 4.582 1.00 11.35 H new ATOM 0 HB2 LEU A 50 23.058 -3.408 3.224 1.00 61.42 H new ATOM 0 HB3 LEU A 50 24.051 -3.952 1.886 1.00 61.42 H new ATOM 0 HG LEU A 50 22.156 -5.376 1.975 1.00 50.20 H new ATOM 0 HD11 LEU A 50 23.152 -7.588 2.402 1.00 62.55 H new ATOM 0 HD12 LEU A 50 24.268 -6.520 1.518 1.00 62.55 H new ATOM 0 HD13 LEU A 50 24.504 -6.809 3.258 1.00 62.55 H new ATOM 0 HD21 LEU A 50 21.517 -6.645 3.990 1.00 11.41 H new ATOM 0 HD22 LEU A 50 22.805 -5.829 4.907 1.00 11.41 H new ATOM 0 HD23 LEU A 50 21.438 -4.888 4.263 1.00 11.41 H new ATOM 708 N ARG A 51 26.738 -5.823 3.375 1.00 70.13 N ATOM 709 CA ARG A 51 27.929 -6.320 2.696 1.00 74.50 C ATOM 710 C ARG A 51 27.885 -7.840 2.566 1.00 62.22 C ATOM 711 O ARG A 51 27.199 -8.520 3.329 1.00 3.03 O ATOM 712 CB ARG A 51 29.188 -5.899 3.455 1.00 0.30 C ATOM 713 CG ARG A 51 29.768 -4.575 2.984 1.00 1.05 C ATOM 714 CD ARG A 51 31.108 -4.769 2.292 1.00 52.33 C ATOM 715 NE ARG A 51 31.618 -3.522 1.728 1.00 53.24 N ATOM 716 CZ ARG A 51 32.891 -3.330 1.400 1.00 13.21 C ATOM 717 NH1 ARG A 51 33.778 -4.298 1.579 1.00 21.41 N ATOM 718 NH2 ARG A 51 33.278 -2.167 0.892 1.00 40.13 N ATOM 0 H ARG A 51 26.400 -6.423 4.127 1.00 70.13 H new ATOM 0 HA ARG A 51 27.954 -5.887 1.696 1.00 74.50 H new ATOM 0 HB2 ARG A 51 28.955 -5.827 4.517 1.00 0.30 H new ATOM 0 HB3 ARG A 51 29.944 -6.676 3.347 1.00 0.30 H new ATOM 0 HG2 ARG A 51 29.070 -4.094 2.299 1.00 1.05 H new ATOM 0 HG3 ARG A 51 29.891 -3.906 3.836 1.00 1.05 H new ATOM 0 HD2 ARG A 51 31.830 -5.166 3.005 1.00 52.33 H new ATOM 0 HD3 ARG A 51 31.003 -5.509 1.499 1.00 52.33 H new ATOM 0 HE ARG A 51 30.961 -2.757 1.578 1.00 53.24 H new ATOM 0 HH11 ARG A 51 33.484 -5.193 1.969 1.00 21.41 H new ATOM 0 HH12 ARG A 51 34.755 -4.148 1.326 1.00 21.41 H new ATOM 0 HH21 ARG A 51 32.598 -1.420 0.753 1.00 40.13 H new ATOM 0 HH22 ARG A 51 34.256 -2.020 0.640 1.00 40.13 H new ATOM 732 N VAL A 52 28.622 -8.367 1.593 1.00 50.02 N ATOM 733 CA VAL A 52 28.668 -9.806 1.362 1.00 4.14 C ATOM 734 C VAL A 52 29.116 -10.549 2.616 1.00 3.11 C ATOM 735 O VAL A 52 30.100 -10.176 3.253 1.00 0.35 O ATOM 736 CB VAL A 52 29.619 -10.158 0.203 1.00 70.41 C ATOM 737 CG1 VAL A 52 29.136 -9.528 -1.094 1.00 40.32 C ATOM 738 CG2 VAL A 52 31.038 -9.715 0.525 1.00 63.43 C ATOM 0 H VAL A 52 29.195 -7.819 0.952 1.00 50.02 H new ATOM 0 HA VAL A 52 27.657 -10.117 1.100 1.00 4.14 H new ATOM 0 HB VAL A 52 29.622 -11.240 0.074 1.00 70.41 H new ATOM 0 HG11 VAL A 52 29.820 -9.788 -1.902 1.00 40.32 H new ATOM 0 HG12 VAL A 52 28.139 -9.900 -1.330 1.00 40.32 H new ATOM 0 HG13 VAL A 52 29.102 -8.444 -0.982 1.00 40.32 H new ATOM 0 HG21 VAL A 52 31.696 -9.972 -0.305 1.00 63.43 H new ATOM 0 HG22 VAL A 52 31.056 -8.637 0.682 1.00 63.43 H new ATOM 0 HG23 VAL A 52 31.380 -10.219 1.429 1.00 63.43 H new ATOM 748 N GLY A 53 28.387 -11.605 2.964 1.00 14.43 N ATOM 749 CA GLY A 53 28.724 -12.384 4.141 1.00 65.44 C ATOM 750 C GLY A 53 27.848 -12.048 5.331 1.00 50.03 C ATOM 751 O GLY A 53 28.146 -12.439 6.460 1.00 53.54 O ATOM 0 H GLY A 53 27.569 -11.935 2.452 1.00 14.43 H new ATOM 0 HA2 GLY A 53 28.627 -13.445 3.910 1.00 65.44 H new ATOM 0 HA3 GLY A 53 29.768 -12.209 4.402 1.00 65.44 H new ATOM 755 N ASP A 54 26.765 -11.320 5.079 1.00 25.31 N ATOM 756 CA ASP A 54 25.843 -10.930 6.139 1.00 31.40 C ATOM 757 C ASP A 54 24.598 -11.812 6.127 1.00 54.52 C ATOM 758 O ASP A 54 23.989 -12.027 5.079 1.00 23.20 O ATOM 759 CB ASP A 54 25.445 -9.462 5.984 1.00 42.25 C ATOM 760 CG ASP A 54 26.434 -8.521 6.644 1.00 70.22 C ATOM 761 OD1 ASP A 54 27.652 -8.784 6.558 1.00 70.41 O ATOM 762 OD2 ASP A 54 25.990 -7.521 7.246 1.00 60.34 O ATOM 0 H ASP A 54 26.505 -10.988 4.150 1.00 25.31 H new ATOM 0 HA ASP A 54 26.350 -11.061 7.095 1.00 31.40 H new ATOM 0 HB2 ASP A 54 25.369 -9.219 4.924 1.00 42.25 H new ATOM 0 HB3 ASP A 54 24.457 -9.309 6.418 1.00 42.25 H new ATOM 767 N GLN A 55 24.226 -12.318 7.298 1.00 31.10 N ATOM 768 CA GLN A 55 23.054 -13.177 7.421 1.00 63.32 C ATOM 769 C GLN A 55 21.814 -12.360 7.769 1.00 23.52 C ATOM 770 O GLN A 55 21.748 -11.733 8.827 1.00 23.01 O ATOM 771 CB GLN A 55 23.290 -14.248 8.487 1.00 24.14 C ATOM 772 CG GLN A 55 24.182 -15.387 8.019 1.00 34.12 C ATOM 773 CD GLN A 55 24.672 -16.252 9.163 1.00 21.52 C ATOM 774 OE1 GLN A 55 24.321 -16.028 10.322 1.00 53.23 O ATOM 775 NE2 GLN A 55 25.489 -17.249 8.844 1.00 71.54 N ATOM 0 H GLN A 55 24.719 -12.148 8.175 1.00 31.10 H new ATOM 0 HA GLN A 55 22.888 -13.662 6.459 1.00 63.32 H new ATOM 0 HB2 GLN A 55 23.739 -13.783 9.364 1.00 24.14 H new ATOM 0 HB3 GLN A 55 22.329 -14.656 8.800 1.00 24.14 H new ATOM 0 HG2 GLN A 55 23.632 -16.006 7.310 1.00 34.12 H new ATOM 0 HG3 GLN A 55 25.039 -14.976 7.486 1.00 34.12 H new ATOM 0 HE21 GLN A 55 25.755 -17.399 7.871 1.00 71.54 H new ATOM 0 HE22 GLN A 55 25.851 -17.865 9.572 1.00 71.54 H new ATOM 784 N LEU A 56 20.834 -12.372 6.873 1.00 34.13 N ATOM 785 CA LEU A 56 19.595 -11.632 7.086 1.00 54.23 C ATOM 786 C LEU A 56 18.585 -12.471 7.862 1.00 71.10 C ATOM 787 O LEU A 56 17.871 -13.292 7.286 1.00 32.01 O ATOM 788 CB LEU A 56 18.996 -11.205 5.744 1.00 20.12 C ATOM 789 CG LEU A 56 19.884 -10.327 4.862 1.00 61.12 C ATOM 790 CD1 LEU A 56 19.146 -9.924 3.595 1.00 71.12 C ATOM 791 CD2 LEU A 56 20.345 -9.095 5.627 1.00 22.43 C ATOM 0 H LEU A 56 20.873 -12.885 5.993 1.00 34.13 H new ATOM 0 HA LEU A 56 19.828 -10.744 7.673 1.00 54.23 H new ATOM 0 HB2 LEU A 56 18.735 -12.103 5.183 1.00 20.12 H new ATOM 0 HB3 LEU A 56 18.067 -10.669 5.938 1.00 20.12 H new ATOM 0 HG LEU A 56 20.764 -10.904 4.578 1.00 61.12 H new ATOM 0 HD11 LEU A 56 19.794 -9.299 2.980 1.00 71.12 H new ATOM 0 HD12 LEU A 56 18.867 -10.818 3.037 1.00 71.12 H new ATOM 0 HD13 LEU A 56 18.248 -9.366 3.859 1.00 71.12 H new ATOM 0 HD21 LEU A 56 20.976 -8.482 4.983 1.00 22.43 H new ATOM 0 HD22 LEU A 56 19.477 -8.516 5.942 1.00 22.43 H new ATOM 0 HD23 LEU A 56 20.913 -9.403 6.505 1.00 22.43 H new ATOM 803 N VAL A 57 18.529 -12.258 9.173 1.00 65.11 N ATOM 804 CA VAL A 57 17.605 -12.992 10.028 1.00 31.34 C ATOM 805 C VAL A 57 16.437 -12.112 10.459 1.00 42.22 C ATOM 806 O VAL A 57 16.367 -10.936 10.099 1.00 23.41 O ATOM 807 CB VAL A 57 18.313 -13.537 11.283 1.00 0.53 C ATOM 808 CG1 VAL A 57 17.745 -14.894 11.671 1.00 45.44 C ATOM 809 CG2 VAL A 57 19.814 -13.624 11.052 1.00 40.51 C ATOM 0 H VAL A 57 19.113 -11.583 9.666 1.00 65.11 H new ATOM 0 HA VAL A 57 17.228 -13.829 9.440 1.00 31.34 H new ATOM 0 HB VAL A 57 18.135 -12.847 12.108 1.00 0.53 H new ATOM 0 HG11 VAL A 57 18.258 -15.263 12.559 1.00 45.44 H new ATOM 0 HG12 VAL A 57 16.680 -14.796 11.881 1.00 45.44 H new ATOM 0 HG13 VAL A 57 17.890 -15.597 10.851 1.00 45.44 H new ATOM 0 HG21 VAL A 57 20.298 -14.011 11.949 1.00 40.51 H new ATOM 0 HG22 VAL A 57 20.015 -14.292 10.214 1.00 40.51 H new ATOM 0 HG23 VAL A 57 20.206 -12.632 10.827 1.00 40.51 H new ATOM 819 N ARG A 58 15.522 -12.688 11.231 1.00 1.13 N ATOM 820 CA ARG A 58 14.356 -11.956 11.711 1.00 42.43 C ATOM 821 C ARG A 58 14.094 -12.255 13.184 1.00 43.41 C ATOM 822 O ARG A 58 13.773 -11.357 13.963 1.00 73.02 O ATOM 823 CB ARG A 58 13.124 -12.316 10.879 1.00 13.12 C ATOM 824 CG ARG A 58 12.186 -11.144 10.641 1.00 13.11 C ATOM 825 CD ARG A 58 10.767 -11.614 10.359 1.00 2.13 C ATOM 826 NE ARG A 58 9.832 -10.497 10.249 1.00 23.45 N ATOM 827 CZ ARG A 58 9.332 -9.852 11.297 1.00 3.32 C ATOM 828 NH1 ARG A 58 9.676 -10.210 12.527 1.00 43.44 N ATOM 829 NH2 ARG A 58 8.487 -8.845 11.116 1.00 33.31 N ATOM 0 H ARG A 58 15.565 -13.660 11.538 1.00 1.13 H new ATOM 0 HA ARG A 58 14.559 -10.890 11.606 1.00 42.43 H new ATOM 0 HB2 ARG A 58 13.449 -12.712 9.917 1.00 13.12 H new ATOM 0 HB3 ARG A 58 12.576 -13.112 11.383 1.00 13.12 H new ATOM 0 HG2 ARG A 58 12.188 -10.492 11.515 1.00 13.11 H new ATOM 0 HG3 ARG A 58 12.548 -10.552 9.801 1.00 13.11 H new ATOM 0 HD2 ARG A 58 10.753 -12.191 9.434 1.00 2.13 H new ATOM 0 HD3 ARG A 58 10.441 -12.282 11.156 1.00 2.13 H new ATOM 0 HE ARG A 58 9.548 -10.196 9.317 1.00 23.45 H new ATOM 0 HH11 ARG A 58 10.326 -10.983 12.670 1.00 43.44 H new ATOM 0 HH12 ARG A 58 9.290 -9.713 13.330 1.00 43.44 H new ATOM 0 HH21 ARG A 58 8.221 -8.566 10.172 1.00 33.31 H new ATOM 0 HH22 ARG A 58 8.103 -8.350 11.921 1.00 33.31 H new ATOM 843 N PHE A 59 14.234 -13.522 13.559 1.00 54.10 N ATOM 844 CA PHE A 59 14.011 -13.940 14.938 1.00 13.11 C ATOM 845 C PHE A 59 15.333 -14.261 15.630 1.00 55.24 C ATOM 846 O PHE A 59 16.021 -15.213 15.264 1.00 5.40 O ATOM 847 CB PHE A 59 13.090 -15.161 14.981 1.00 62.53 C ATOM 848 CG PHE A 59 11.666 -14.827 15.321 1.00 70.31 C ATOM 849 CD1 PHE A 59 10.773 -14.452 14.330 1.00 11.02 C ATOM 850 CD2 PHE A 59 11.220 -14.889 16.631 1.00 20.13 C ATOM 851 CE1 PHE A 59 9.462 -14.143 14.641 1.00 61.21 C ATOM 852 CE2 PHE A 59 9.910 -14.582 16.948 1.00 41.21 C ATOM 853 CZ PHE A 59 9.030 -14.209 15.951 1.00 32.40 C ATOM 0 H PHE A 59 14.501 -14.277 12.927 1.00 54.10 H new ATOM 0 HA PHE A 59 13.534 -13.116 15.468 1.00 13.11 H new ATOM 0 HB2 PHE A 59 13.116 -15.660 14.012 1.00 62.53 H new ATOM 0 HB3 PHE A 59 13.474 -15.870 15.715 1.00 62.53 H new ATOM 0 HD1 PHE A 59 11.105 -14.401 13.304 1.00 11.02 H new ATOM 0 HD2 PHE A 59 11.904 -15.181 17.414 1.00 20.13 H new ATOM 0 HE1 PHE A 59 8.776 -13.850 13.860 1.00 61.21 H new ATOM 0 HE2 PHE A 59 9.575 -14.634 17.973 1.00 41.21 H new ATOM 0 HZ PHE A 59 8.006 -13.969 16.195 1.00 32.40 H new ATOM 863 N ALA A 60 15.680 -13.458 16.631 1.00 73.44 N ATOM 864 CA ALA A 60 16.917 -13.657 17.375 1.00 44.24 C ATOM 865 C ALA A 60 18.135 -13.403 16.492 1.00 30.32 C ATOM 866 O ALA A 60 18.773 -12.356 16.585 1.00 44.34 O ATOM 867 CB ALA A 60 16.966 -15.063 17.953 1.00 71.42 C ATOM 0 H ALA A 60 15.122 -12.664 16.945 1.00 73.44 H new ATOM 0 HA ALA A 60 16.938 -12.939 18.195 1.00 44.24 H new ATOM 0 HB1 ALA A 60 17.896 -15.197 18.506 1.00 71.42 H new ATOM 0 HB2 ALA A 60 16.120 -15.210 18.624 1.00 71.42 H new ATOM 0 HB3 ALA A 60 16.917 -15.791 17.143 1.00 71.42 H new ATOM 873 N GLY A 61 18.452 -14.370 15.637 1.00 70.45 N ATOM 874 CA GLY A 61 19.593 -14.232 14.751 1.00 60.44 C ATOM 875 C GLY A 61 20.039 -15.559 14.169 1.00 70.15 C ATOM 876 O GLY A 61 21.229 -15.775 13.938 1.00 71.14 O ATOM 0 H GLY A 61 17.939 -15.247 15.542 1.00 70.45 H new ATOM 0 HA2 GLY A 61 19.339 -13.550 13.940 1.00 60.44 H new ATOM 0 HA3 GLY A 61 20.421 -13.782 15.298 1.00 60.44 H new ATOM 880 N TYR A 62 19.083 -16.451 13.932 1.00 1.33 N ATOM 881 CA TYR A 62 19.384 -17.765 13.378 1.00 61.14 C ATOM 882 C TYR A 62 18.103 -18.504 13.001 1.00 24.05 C ATOM 883 O TYR A 62 17.642 -19.384 13.730 1.00 42.52 O ATOM 884 CB TYR A 62 20.188 -18.593 14.381 1.00 20.52 C ATOM 885 CG TYR A 62 19.763 -18.385 15.817 1.00 14.20 C ATOM 886 CD1 TYR A 62 20.336 -17.386 16.594 1.00 44.43 C ATOM 887 CD2 TYR A 62 18.788 -19.187 16.397 1.00 21.14 C ATOM 888 CE1 TYR A 62 19.952 -17.191 17.906 1.00 35.53 C ATOM 889 CE2 TYR A 62 18.396 -18.999 17.709 1.00 70.35 C ATOM 890 CZ TYR A 62 18.981 -18.001 18.459 1.00 53.51 C ATOM 891 OH TYR A 62 18.594 -17.811 19.766 1.00 72.21 O ATOM 0 H TYR A 62 18.093 -16.287 14.115 1.00 1.33 H new ATOM 0 HA TYR A 62 19.979 -17.623 12.476 1.00 61.14 H new ATOM 0 HB2 TYR A 62 20.088 -19.649 14.131 1.00 20.52 H new ATOM 0 HB3 TYR A 62 21.244 -18.341 14.283 1.00 20.52 H new ATOM 0 HD1 TYR A 62 21.096 -16.750 16.164 1.00 44.43 H new ATOM 0 HD2 TYR A 62 18.329 -19.971 15.813 1.00 21.14 H new ATOM 0 HE1 TYR A 62 20.409 -16.410 18.496 1.00 35.53 H new ATOM 0 HE2 TYR A 62 17.636 -19.630 18.144 1.00 70.35 H new ATOM 0 HH TYR A 62 17.901 -18.463 20.000 1.00 72.21 H new ATOM 901 N THR A 63 17.533 -18.141 11.857 1.00 15.41 N ATOM 902 CA THR A 63 16.305 -18.767 11.382 1.00 2.05 C ATOM 903 C THR A 63 15.838 -18.139 10.074 1.00 31.42 C ATOM 904 O THR A 63 15.317 -17.024 10.060 1.00 33.22 O ATOM 905 CB THR A 63 15.177 -18.653 12.425 1.00 71.20 C ATOM 906 OG1 THR A 63 13.913 -18.929 11.811 1.00 0.00 O ATOM 907 CG2 THR A 63 15.152 -17.265 13.047 1.00 44.05 C ATOM 0 H THR A 63 17.902 -17.416 11.241 1.00 15.41 H new ATOM 0 HA THR A 63 16.531 -19.820 11.215 1.00 2.05 H new ATOM 0 HB THR A 63 15.366 -19.383 13.212 1.00 71.20 H new ATOM 0 HG1 THR A 63 13.201 -18.856 12.481 1.00 0.00 H new ATOM 0 HG21 THR A 63 14.347 -17.209 13.780 1.00 44.05 H new ATOM 0 HG22 THR A 63 16.105 -17.069 13.539 1.00 44.05 H new ATOM 0 HG23 THR A 63 14.986 -16.520 12.269 1.00 44.05 H new ATOM 915 N VAL A 64 16.027 -18.863 8.975 1.00 21.13 N ATOM 916 CA VAL A 64 15.623 -18.378 7.661 1.00 0.42 C ATOM 917 C VAL A 64 15.092 -19.514 6.795 1.00 71.11 C ATOM 918 O VAL A 64 15.373 -20.686 7.047 1.00 34.35 O ATOM 919 CB VAL A 64 16.794 -17.694 6.931 1.00 63.22 C ATOM 920 CG1 VAL A 64 16.285 -16.876 5.754 1.00 64.23 C ATOM 921 CG2 VAL A 64 17.586 -16.823 7.894 1.00 43.43 C ATOM 0 H VAL A 64 16.457 -19.788 8.969 1.00 21.13 H new ATOM 0 HA VAL A 64 14.830 -17.648 7.823 1.00 0.42 H new ATOM 0 HB VAL A 64 17.459 -18.466 6.545 1.00 63.22 H new ATOM 0 HG11 VAL A 64 17.127 -16.400 5.251 1.00 64.23 H new ATOM 0 HG12 VAL A 64 15.766 -17.530 5.054 1.00 64.23 H new ATOM 0 HG13 VAL A 64 15.597 -16.110 6.113 1.00 64.23 H new ATOM 0 HG21 VAL A 64 18.409 -16.347 7.361 1.00 43.43 H new ATOM 0 HG22 VAL A 64 16.933 -16.056 8.312 1.00 43.43 H new ATOM 0 HG23 VAL A 64 17.983 -17.440 8.700 1.00 43.43 H new ATOM 931 N THR A 65 14.322 -19.160 5.770 1.00 2.04 N ATOM 932 CA THR A 65 13.751 -20.150 4.866 1.00 14.30 C ATOM 933 C THR A 65 14.266 -19.958 3.444 1.00 10.13 C ATOM 934 O THR A 65 14.986 -20.805 2.916 1.00 11.35 O ATOM 935 CB THR A 65 12.212 -20.079 4.856 1.00 31.10 C ATOM 936 OG1 THR A 65 11.719 -20.326 3.535 1.00 53.04 O ATOM 937 CG2 THR A 65 11.729 -18.719 5.337 1.00 44.11 C ATOM 0 H THR A 65 14.080 -18.195 5.546 1.00 2.04 H new ATOM 0 HA THR A 65 14.061 -21.129 5.233 1.00 14.30 H new ATOM 0 HB THR A 65 11.831 -20.842 5.534 1.00 31.10 H new ATOM 0 HG1 THR A 65 10.740 -20.281 3.537 1.00 53.04 H new ATOM 0 HG21 THR A 65 10.639 -18.693 5.321 1.00 44.11 H new ATOM 0 HG22 THR A 65 12.081 -18.547 6.354 1.00 44.11 H new ATOM 0 HG23 THR A 65 12.120 -17.941 4.681 1.00 44.11 H new ATOM 945 N GLU A 66 13.893 -18.839 2.830 1.00 30.43 N ATOM 946 CA GLU A 66 14.319 -18.538 1.469 1.00 53.24 C ATOM 947 C GLU A 66 14.276 -17.035 1.205 1.00 21.34 C ATOM 948 O GLU A 66 13.797 -16.261 2.035 1.00 32.42 O ATOM 949 CB GLU A 66 13.431 -19.269 0.459 1.00 11.13 C ATOM 950 CG GLU A 66 11.986 -18.799 0.467 1.00 31.24 C ATOM 951 CD GLU A 66 11.175 -19.389 -0.670 1.00 15.50 C ATOM 952 OE1 GLU A 66 11.658 -19.356 -1.821 1.00 74.43 O ATOM 953 OE2 GLU A 66 10.057 -19.881 -0.409 1.00 62.24 O ATOM 0 H GLU A 66 13.298 -18.127 3.253 1.00 30.43 H new ATOM 0 HA GLU A 66 15.347 -18.881 1.354 1.00 53.24 H new ATOM 0 HB2 GLU A 66 13.843 -19.132 -0.541 1.00 11.13 H new ATOM 0 HB3 GLU A 66 13.458 -20.338 0.671 1.00 11.13 H new ATOM 0 HG2 GLU A 66 11.525 -19.070 1.417 1.00 31.24 H new ATOM 0 HG3 GLU A 66 11.961 -17.711 0.400 1.00 31.24 H new ATOM 960 N LEU A 67 14.781 -16.629 0.046 1.00 61.53 N ATOM 961 CA LEU A 67 14.802 -15.220 -0.328 1.00 51.53 C ATOM 962 C LEU A 67 13.386 -14.687 -0.524 1.00 70.22 C ATOM 963 O LEU A 67 13.136 -13.491 -0.377 1.00 61.23 O ATOM 964 CB LEU A 67 15.615 -15.023 -1.609 1.00 74.33 C ATOM 965 CG LEU A 67 15.202 -15.883 -2.804 1.00 74.04 C ATOM 966 CD1 LEU A 67 14.042 -15.240 -3.549 1.00 34.42 C ATOM 967 CD2 LEU A 67 16.383 -16.100 -3.739 1.00 51.30 C ATOM 0 H LEU A 67 15.182 -17.256 -0.652 1.00 61.53 H new ATOM 0 HA LEU A 67 15.272 -14.662 0.482 1.00 51.53 H new ATOM 0 HB2 LEU A 67 15.548 -13.975 -1.901 1.00 74.33 H new ATOM 0 HB3 LEU A 67 16.662 -15.225 -1.386 1.00 74.33 H new ATOM 0 HG LEU A 67 14.875 -16.854 -2.432 1.00 74.04 H new ATOM 0 HD11 LEU A 67 13.762 -15.866 -4.396 1.00 34.42 H new ATOM 0 HD12 LEU A 67 13.190 -15.137 -2.877 1.00 34.42 H new ATOM 0 HD13 LEU A 67 14.342 -14.256 -3.909 1.00 34.42 H new ATOM 0 HD21 LEU A 67 16.070 -16.714 -4.584 1.00 51.30 H new ATOM 0 HD22 LEU A 67 16.740 -15.137 -4.103 1.00 51.30 H new ATOM 0 HD23 LEU A 67 17.185 -16.605 -3.201 1.00 51.30 H new ATOM 979 N ALA A 68 12.463 -15.584 -0.855 1.00 34.15 N ATOM 980 CA ALA A 68 11.071 -15.205 -1.066 1.00 70.41 C ATOM 981 C ALA A 68 10.500 -14.504 0.162 1.00 61.22 C ATOM 982 O ALA A 68 9.755 -13.532 0.043 1.00 73.33 O ATOM 983 CB ALA A 68 10.237 -16.430 -1.412 1.00 24.30 C ATOM 0 H ALA A 68 12.654 -16.578 -0.983 1.00 34.15 H new ATOM 0 HA ALA A 68 11.034 -14.506 -1.901 1.00 70.41 H new ATOM 0 HB1 ALA A 68 9.200 -16.132 -1.567 1.00 24.30 H new ATOM 0 HB2 ALA A 68 10.623 -16.888 -2.323 1.00 24.30 H new ATOM 0 HB3 ALA A 68 10.290 -17.149 -0.594 1.00 24.30 H new ATOM 989 N ALA A 69 10.854 -15.004 1.341 1.00 24.02 N ATOM 990 CA ALA A 69 10.378 -14.424 2.591 1.00 61.32 C ATOM 991 C ALA A 69 10.981 -13.043 2.820 1.00 1.40 C ATOM 992 O ALA A 69 10.296 -12.121 3.264 1.00 20.24 O ATOM 993 CB ALA A 69 10.704 -15.345 3.758 1.00 42.23 C ATOM 0 H ALA A 69 11.469 -15.810 1.457 1.00 24.02 H new ATOM 0 HA ALA A 69 9.296 -14.312 2.522 1.00 61.32 H new ATOM 0 HB1 ALA A 69 10.343 -14.900 4.685 1.00 42.23 H new ATOM 0 HB2 ALA A 69 10.220 -16.310 3.606 1.00 42.23 H new ATOM 0 HB3 ALA A 69 11.783 -15.486 3.820 1.00 42.23 H new ATOM 999 N PHE A 70 12.267 -12.905 2.515 1.00 62.32 N ATOM 1000 CA PHE A 70 12.963 -11.636 2.689 1.00 1.33 C ATOM 1001 C PHE A 70 12.456 -10.596 1.694 1.00 63.44 C ATOM 1002 O PHE A 70 12.432 -9.402 1.986 1.00 45.44 O ATOM 1003 CB PHE A 70 14.471 -11.829 2.519 1.00 43.11 C ATOM 1004 CG PHE A 70 15.241 -10.539 2.484 1.00 33.42 C ATOM 1005 CD1 PHE A 70 15.506 -9.844 3.653 1.00 53.22 C ATOM 1006 CD2 PHE A 70 15.698 -10.023 1.283 1.00 44.42 C ATOM 1007 CE1 PHE A 70 16.214 -8.657 3.624 1.00 32.04 C ATOM 1008 CE2 PHE A 70 16.407 -8.837 1.248 1.00 2.43 C ATOM 1009 CZ PHE A 70 16.664 -8.152 2.420 1.00 22.44 C ATOM 0 H PHE A 70 12.849 -13.657 2.146 1.00 62.32 H new ATOM 0 HA PHE A 70 12.762 -11.276 3.698 1.00 1.33 H new ATOM 0 HB2 PHE A 70 14.845 -12.444 3.338 1.00 43.11 H new ATOM 0 HB3 PHE A 70 14.657 -12.379 1.596 1.00 43.11 H new ATOM 0 HD1 PHE A 70 15.156 -10.234 4.597 1.00 53.22 H new ATOM 0 HD2 PHE A 70 15.498 -10.553 0.363 1.00 44.42 H new ATOM 0 HE1 PHE A 70 16.415 -8.125 4.542 1.00 32.04 H new ATOM 0 HE2 PHE A 70 16.760 -8.446 0.305 1.00 2.43 H new ATOM 0 HZ PHE A 70 17.216 -7.224 2.395 1.00 22.44 H new ATOM 1019 N ASN A 71 12.053 -11.062 0.516 1.00 54.41 N ATOM 1020 CA ASN A 71 11.547 -10.173 -0.524 1.00 62.14 C ATOM 1021 C ASN A 71 10.193 -9.590 -0.131 1.00 62.24 C ATOM 1022 O ASN A 71 9.877 -8.446 -0.461 1.00 62.40 O ATOM 1023 CB ASN A 71 11.426 -10.925 -1.851 1.00 53.25 C ATOM 1024 CG ASN A 71 11.247 -9.989 -3.032 1.00 31.24 C ATOM 1025 OD1 ASN A 71 11.740 -8.861 -3.024 1.00 20.21 O ATOM 1026 ND2 ASN A 71 10.538 -10.455 -4.054 1.00 3.04 N ATOM 0 H ASN A 71 12.067 -12.049 0.258 1.00 54.41 H new ATOM 0 HA ASN A 71 12.255 -9.352 -0.642 1.00 62.14 H new ATOM 0 HB2 ASN A 71 12.318 -11.532 -2.004 1.00 53.25 H new ATOM 0 HB3 ASN A 71 10.579 -11.609 -1.802 1.00 53.25 H new ATOM 0 HD21 ASN A 71 10.383 -9.871 -4.876 1.00 3.04 H new ATOM 0 HD22 ASN A 71 10.148 -11.397 -4.017 1.00 3.04 H new ATOM 1033 N THR A 72 9.396 -10.384 0.576 1.00 31.54 N ATOM 1034 CA THR A 72 8.076 -9.949 1.014 1.00 11.43 C ATOM 1035 C THR A 72 8.180 -8.910 2.125 1.00 23.02 C ATOM 1036 O THR A 72 7.524 -7.870 2.080 1.00 14.30 O ATOM 1037 CB THR A 72 7.230 -11.135 1.514 1.00 53.21 C ATOM 1038 OG1 THR A 72 7.776 -11.646 2.735 1.00 71.54 O ATOM 1039 CG2 THR A 72 7.180 -12.241 0.471 1.00 24.53 C ATOM 0 H THR A 72 9.642 -11.333 0.858 1.00 31.54 H new ATOM 0 HA THR A 72 7.587 -9.503 0.148 1.00 11.43 H new ATOM 0 HB THR A 72 6.215 -10.780 1.692 1.00 53.21 H new ATOM 0 HG1 THR A 72 8.658 -12.036 2.561 1.00 71.54 H new ATOM 0 HG21 THR A 72 6.577 -13.068 0.846 1.00 24.53 H new ATOM 0 HG22 THR A 72 6.736 -11.856 -0.447 1.00 24.53 H new ATOM 0 HG23 THR A 72 8.191 -12.593 0.265 1.00 24.53 H new ATOM 1047 N VAL A 73 9.011 -9.198 3.122 1.00 33.34 N ATOM 1048 CA VAL A 73 9.203 -8.288 4.245 1.00 54.21 C ATOM 1049 C VAL A 73 9.810 -6.968 3.784 1.00 52.50 C ATOM 1050 O VAL A 73 9.420 -5.896 4.249 1.00 21.42 O ATOM 1051 CB VAL A 73 10.111 -8.909 5.323 1.00 75.22 C ATOM 1052 CG1 VAL A 73 9.419 -10.090 5.988 1.00 43.15 C ATOM 1053 CG2 VAL A 73 11.442 -9.331 4.719 1.00 14.11 C ATOM 0 H VAL A 73 9.562 -10.055 3.175 1.00 33.34 H new ATOM 0 HA VAL A 73 8.218 -8.102 4.674 1.00 54.21 H new ATOM 0 HB VAL A 73 10.307 -8.156 6.087 1.00 75.22 H new ATOM 0 HG11 VAL A 73 10.075 -10.516 6.747 1.00 43.15 H new ATOM 0 HG12 VAL A 73 8.494 -9.753 6.456 1.00 43.15 H new ATOM 0 HG13 VAL A 73 9.191 -10.848 5.238 1.00 43.15 H new ATOM 0 HG21 VAL A 73 12.071 -9.768 5.494 1.00 14.11 H new ATOM 0 HG22 VAL A 73 11.268 -10.068 3.935 1.00 14.11 H new ATOM 0 HG23 VAL A 73 11.941 -8.460 4.294 1.00 14.11 H new ATOM 1063 N VAL A 74 10.767 -7.051 2.865 1.00 20.34 N ATOM 1064 CA VAL A 74 11.428 -5.863 2.339 1.00 10.03 C ATOM 1065 C VAL A 74 10.468 -5.027 1.500 1.00 5.53 C ATOM 1066 O VAL A 74 10.379 -3.811 1.668 1.00 5.30 O ATOM 1067 CB VAL A 74 12.652 -6.235 1.482 1.00 41.13 C ATOM 1068 CG1 VAL A 74 13.186 -5.011 0.754 1.00 41.32 C ATOM 1069 CG2 VAL A 74 13.734 -6.867 2.344 1.00 2.31 C ATOM 0 H VAL A 74 11.102 -7.929 2.469 1.00 20.34 H new ATOM 0 HA VAL A 74 11.760 -5.278 3.197 1.00 10.03 H new ATOM 0 HB VAL A 74 12.342 -6.966 0.735 1.00 41.13 H new ATOM 0 HG11 VAL A 74 14.051 -5.293 0.154 1.00 41.32 H new ATOM 0 HG12 VAL A 74 12.410 -4.606 0.105 1.00 41.32 H new ATOM 0 HG13 VAL A 74 13.481 -4.255 1.482 1.00 41.32 H new ATOM 0 HG21 VAL A 74 14.591 -7.123 1.722 1.00 2.31 H new ATOM 0 HG22 VAL A 74 14.043 -6.161 3.115 1.00 2.31 H new ATOM 0 HG23 VAL A 74 13.344 -7.770 2.814 1.00 2.31 H new ATOM 1079 N ALA A 75 9.751 -5.687 0.597 1.00 45.21 N ATOM 1080 CA ALA A 75 8.796 -5.005 -0.267 1.00 41.41 C ATOM 1081 C ALA A 75 7.633 -4.439 0.540 1.00 15.10 C ATOM 1082 O ALA A 75 7.206 -3.305 0.320 1.00 34.35 O ATOM 1083 CB ALA A 75 8.284 -5.954 -1.341 1.00 2.53 C ATOM 0 H ALA A 75 9.813 -6.694 0.445 1.00 45.21 H new ATOM 0 HA ALA A 75 9.309 -4.173 -0.748 1.00 41.41 H new ATOM 0 HB1 ALA A 75 7.572 -5.431 -1.979 1.00 2.53 H new ATOM 0 HB2 ALA A 75 9.121 -6.306 -1.944 1.00 2.53 H new ATOM 0 HB3 ALA A 75 7.792 -6.805 -0.870 1.00 2.53 H new ATOM 1089 N ARG A 76 7.123 -5.236 1.474 1.00 43.12 N ATOM 1090 CA ARG A 76 6.008 -4.815 2.312 1.00 15.42 C ATOM 1091 C ARG A 76 6.340 -3.521 3.051 1.00 62.43 C ATOM 1092 O ARG A 76 5.513 -2.614 3.138 1.00 12.52 O ATOM 1093 CB ARG A 76 5.655 -5.912 3.318 1.00 74.34 C ATOM 1094 CG ARG A 76 4.573 -6.861 2.828 1.00 32.35 C ATOM 1095 CD ARG A 76 4.655 -7.073 1.325 1.00 44.42 C ATOM 1096 NE ARG A 76 3.976 -8.296 0.906 1.00 51.52 N ATOM 1097 CZ ARG A 76 3.896 -8.696 -0.358 1.00 44.13 C ATOM 1098 NH1 ARG A 76 4.452 -7.974 -1.322 1.00 33.01 N ATOM 1099 NH2 ARG A 76 3.261 -9.821 -0.661 1.00 11.24 N ATOM 0 H ARG A 76 7.465 -6.177 1.669 1.00 43.12 H new ATOM 0 HA ARG A 76 5.149 -4.634 1.665 1.00 15.42 H new ATOM 0 HB2 ARG A 76 6.553 -6.486 3.548 1.00 74.34 H new ATOM 0 HB3 ARG A 76 5.326 -5.448 4.248 1.00 74.34 H new ATOM 0 HG2 ARG A 76 4.671 -7.820 3.337 1.00 32.35 H new ATOM 0 HG3 ARG A 76 3.593 -6.461 3.087 1.00 32.35 H new ATOM 0 HD2 ARG A 76 4.211 -6.219 0.814 1.00 44.42 H new ATOM 0 HD3 ARG A 76 5.701 -7.117 1.022 1.00 44.42 H new ATOM 0 HE ARG A 76 3.539 -8.875 1.623 1.00 51.52 H new ATOM 0 HH11 ARG A 76 4.942 -7.109 -1.093 1.00 33.01 H new ATOM 0 HH12 ARG A 76 4.389 -8.283 -2.292 1.00 33.01 H new ATOM 0 HH21 ARG A 76 2.833 -10.380 0.077 1.00 11.24 H new ATOM 0 HH22 ARG A 76 3.200 -10.127 -1.632 1.00 11.24 H new ATOM 1113 N HIS A 77 7.557 -3.445 3.581 1.00 32.01 N ATOM 1114 CA HIS A 77 7.999 -2.263 4.312 1.00 1.02 C ATOM 1115 C HIS A 77 8.899 -1.391 3.442 1.00 64.21 C ATOM 1116 O HIS A 77 9.949 -0.927 3.887 1.00 63.13 O ATOM 1117 CB HIS A 77 8.742 -2.673 5.584 1.00 14.55 C ATOM 1118 CG HIS A 77 8.175 -3.893 6.242 1.00 13.23 C ATOM 1119 ND1 HIS A 77 8.959 -4.876 6.809 1.00 51.54 N ATOM 1120 CD2 HIS A 77 6.892 -4.286 6.424 1.00 43.22 C ATOM 1121 CE1 HIS A 77 8.183 -5.821 7.308 1.00 24.04 C ATOM 1122 NE2 HIS A 77 6.925 -5.487 7.088 1.00 14.04 N ATOM 0 H HIS A 77 8.254 -4.187 3.518 1.00 32.01 H new ATOM 0 HA HIS A 77 7.117 -1.684 4.586 1.00 1.02 H new ATOM 0 HB2 HIS A 77 9.789 -2.855 5.341 1.00 14.55 H new ATOM 0 HB3 HIS A 77 8.718 -1.844 6.292 1.00 14.55 H new ATOM 0 HD2 HIS A 77 6.008 -3.754 6.106 1.00 43.22 H new ATOM 0 HE1 HIS A 77 8.520 -6.715 7.811 1.00 24.04 H new ATOM 0 HE2 HIS A 77 6.110 -6.033 7.366 1.00 14.04 H new ATOM 1130 N VAL A 78 8.482 -1.173 2.199 1.00 74.31 N ATOM 1131 CA VAL A 78 9.250 -0.357 1.266 1.00 32.23 C ATOM 1132 C VAL A 78 8.801 1.099 1.311 1.00 33.05 C ATOM 1133 O VAL A 78 8.831 1.800 0.300 1.00 3.31 O ATOM 1134 CB VAL A 78 9.118 -0.879 -0.177 1.00 34.22 C ATOM 1135 CG1 VAL A 78 7.724 -0.601 -0.720 1.00 3.11 C ATOM 1136 CG2 VAL A 78 10.181 -0.255 -1.068 1.00 73.11 C ATOM 0 H VAL A 78 7.616 -1.550 1.814 1.00 74.31 H new ATOM 0 HA VAL A 78 10.294 -0.422 1.574 1.00 32.23 H new ATOM 0 HB VAL A 78 9.270 -1.958 -0.170 1.00 34.22 H new ATOM 0 HG11 VAL A 78 7.649 -0.977 -1.740 1.00 3.11 H new ATOM 0 HG12 VAL A 78 6.984 -1.100 -0.095 1.00 3.11 H new ATOM 0 HG13 VAL A 78 7.539 0.473 -0.714 1.00 3.11 H new ATOM 0 HG21 VAL A 78 10.073 -0.635 -2.084 1.00 73.11 H new ATOM 0 HG22 VAL A 78 10.063 0.829 -1.071 1.00 73.11 H new ATOM 0 HG23 VAL A 78 11.170 -0.511 -0.688 1.00 73.11 H new ATOM 1146 N ARG A 79 8.384 1.548 2.491 1.00 23.31 N ATOM 1147 CA ARG A 79 7.928 2.921 2.668 1.00 31.14 C ATOM 1148 C ARG A 79 9.110 3.885 2.717 1.00 30.44 C ATOM 1149 O ARG A 79 10.251 3.494 2.966 1.00 11.30 O ATOM 1150 CB ARG A 79 7.102 3.045 3.950 1.00 73.11 C ATOM 1151 CG ARG A 79 5.607 2.878 3.730 1.00 61.55 C ATOM 1152 CD ARG A 79 4.809 3.379 4.923 1.00 55.15 C ATOM 1153 NE ARG A 79 3.557 4.013 4.516 1.00 20.40 N ATOM 1154 CZ ARG A 79 2.873 4.850 5.288 1.00 75.43 C ATOM 1155 NH1 ARG A 79 3.316 5.153 6.500 1.00 64.43 N ATOM 1156 NH2 ARG A 79 1.742 5.386 4.847 1.00 73.10 N ATOM 0 H ARG A 79 8.353 0.981 3.338 1.00 23.31 H new ATOM 0 HA ARG A 79 7.303 3.183 1.814 1.00 31.14 H new ATOM 0 HB2 ARG A 79 7.441 2.295 4.665 1.00 73.11 H new ATOM 0 HB3 ARG A 79 7.288 4.021 4.399 1.00 73.11 H new ATOM 0 HG2 ARG A 79 5.307 3.423 2.835 1.00 61.55 H new ATOM 0 HG3 ARG A 79 5.379 1.827 3.554 1.00 61.55 H new ATOM 0 HD2 ARG A 79 4.593 2.545 5.591 1.00 55.15 H new ATOM 0 HD3 ARG A 79 5.410 4.092 5.488 1.00 55.15 H new ATOM 0 HE ARG A 79 3.188 3.801 3.589 1.00 20.40 H new ATOM 0 HH11 ARG A 79 4.185 4.743 6.843 1.00 64.43 H new ATOM 0 HH12 ARG A 79 2.788 5.796 7.090 1.00 64.43 H new ATOM 0 HH21 ARG A 79 1.398 5.155 3.915 1.00 73.10 H new ATOM 0 HH22 ARG A 79 1.217 6.029 5.440 1.00 73.10 H new ATOM 1170 N PRO A 80 8.833 5.174 2.474 1.00 11.32 N ATOM 1171 CA PRO A 80 9.860 6.220 2.485 1.00 52.32 C ATOM 1172 C PRO A 80 10.391 6.497 3.887 1.00 14.32 C ATOM 1173 O PRO A 80 9.710 7.110 4.709 1.00 14.41 O ATOM 1174 CB PRO A 80 9.123 7.446 1.940 1.00 10.41 C ATOM 1175 CG PRO A 80 7.689 7.199 2.259 1.00 11.33 C ATOM 1176 CD PRO A 80 7.496 5.711 2.171 1.00 75.34 C ATOM 0 HA PRO A 80 10.736 5.937 1.901 1.00 52.32 H new ATOM 0 HB2 PRO A 80 9.480 8.363 2.408 1.00 10.41 H new ATOM 0 HB3 PRO A 80 9.277 7.555 0.866 1.00 10.41 H new ATOM 0 HG2 PRO A 80 7.442 7.566 3.255 1.00 11.33 H new ATOM 0 HG3 PRO A 80 7.038 7.719 1.557 1.00 11.33 H new ATOM 0 HD2 PRO A 80 6.751 5.360 2.885 1.00 75.34 H new ATOM 0 HD3 PRO A 80 7.156 5.408 1.181 1.00 75.34 H new ATOM 1184 N SER A 81 11.611 6.042 4.154 1.00 54.01 N ATOM 1185 CA SER A 81 12.231 6.238 5.459 1.00 45.34 C ATOM 1186 C SER A 81 11.477 5.471 6.540 1.00 12.22 C ATOM 1187 O SER A 81 10.773 6.062 7.359 1.00 74.35 O ATOM 1188 CB SER A 81 12.273 7.727 5.808 1.00 3.14 C ATOM 1189 OG SER A 81 13.326 8.009 6.714 1.00 64.13 O ATOM 0 H SER A 81 12.189 5.535 3.484 1.00 54.01 H new ATOM 0 HA SER A 81 13.250 5.854 5.411 1.00 45.34 H new ATOM 0 HB2 SER A 81 12.405 8.313 4.899 1.00 3.14 H new ATOM 0 HB3 SER A 81 11.321 8.028 6.246 1.00 3.14 H new ATOM 0 HG SER A 81 13.332 8.967 6.920 1.00 64.13 H new ATOM 1195 N ALA A 82 11.630 4.151 6.536 1.00 11.04 N ATOM 1196 CA ALA A 82 10.965 3.302 7.517 1.00 3.25 C ATOM 1197 C ALA A 82 11.981 2.527 8.350 1.00 13.24 C ATOM 1198 O ALA A 82 13.022 2.108 7.845 1.00 73.31 O ATOM 1199 CB ALA A 82 10.008 2.344 6.824 1.00 14.52 C ATOM 0 H ALA A 82 12.209 3.646 5.864 1.00 11.04 H new ATOM 0 HA ALA A 82 10.396 3.944 8.190 1.00 3.25 H new ATOM 0 HB1 ALA A 82 9.519 1.716 7.569 1.00 14.52 H new ATOM 0 HB2 ALA A 82 9.256 2.913 6.278 1.00 14.52 H new ATOM 0 HB3 ALA A 82 10.563 1.715 6.128 1.00 14.52 H new ATOM 1205 N SER A 83 11.671 2.341 9.630 1.00 43.34 N ATOM 1206 CA SER A 83 12.559 1.620 10.534 1.00 45.41 C ATOM 1207 C SER A 83 12.311 0.117 10.456 1.00 14.10 C ATOM 1208 O SER A 83 11.247 -0.368 10.844 1.00 4.21 O ATOM 1209 CB SER A 83 12.364 2.107 11.971 1.00 54.40 C ATOM 1210 OG SER A 83 12.324 3.523 12.029 1.00 72.32 O ATOM 0 H SER A 83 10.812 2.680 10.063 1.00 43.34 H new ATOM 0 HA SER A 83 13.586 1.817 10.228 1.00 45.41 H new ATOM 0 HB2 SER A 83 11.438 1.697 12.375 1.00 54.40 H new ATOM 0 HB3 SER A 83 13.176 1.737 12.597 1.00 54.40 H new ATOM 0 HG SER A 83 12.197 3.809 12.958 1.00 72.32 H new ATOM 1216 N ILE A 84 13.299 -0.614 9.952 1.00 73.32 N ATOM 1217 CA ILE A 84 13.188 -2.062 9.824 1.00 62.04 C ATOM 1218 C ILE A 84 14.213 -2.772 10.703 1.00 54.54 C ATOM 1219 O ILE A 84 15.314 -3.109 10.267 1.00 13.40 O ATOM 1220 CB ILE A 84 13.380 -2.514 8.364 1.00 71.20 C ATOM 1221 CG1 ILE A 84 12.315 -1.881 7.467 1.00 54.22 C ATOM 1222 CG2 ILE A 84 13.327 -4.032 8.268 1.00 13.33 C ATOM 1223 CD1 ILE A 84 12.795 -1.609 6.058 1.00 15.13 C ATOM 0 H ILE A 84 14.185 -0.228 9.626 1.00 73.32 H new ATOM 0 HA ILE A 84 12.184 -2.332 10.151 1.00 62.04 H new ATOM 0 HB ILE A 84 14.360 -2.182 8.022 1.00 71.20 H new ATOM 0 HG12 ILE A 84 11.448 -2.540 7.426 1.00 54.22 H new ATOM 0 HG13 ILE A 84 11.983 -0.945 7.916 1.00 54.22 H new ATOM 0 HG21 ILE A 84 13.464 -4.336 7.230 1.00 13.33 H new ATOM 0 HG22 ILE A 84 14.119 -4.463 8.880 1.00 13.33 H new ATOM 0 HG23 ILE A 84 12.360 -4.386 8.625 1.00 13.33 H new ATOM 0 HD11 ILE A 84 11.988 -1.160 5.479 1.00 15.13 H new ATOM 0 HD12 ILE A 84 13.643 -0.925 6.088 1.00 15.13 H new ATOM 0 HD13 ILE A 84 13.100 -2.545 5.590 1.00 15.13 H new ATOM 1235 N PRO A 85 13.843 -3.006 11.970 1.00 20.24 N ATOM 1236 CA PRO A 85 14.715 -3.680 12.937 1.00 33.42 C ATOM 1237 C PRO A 85 14.903 -5.159 12.615 1.00 1.12 C ATOM 1238 O PRO A 85 13.984 -5.962 12.778 1.00 64.10 O ATOM 1239 CB PRO A 85 13.970 -3.513 14.264 1.00 55.23 C ATOM 1240 CG PRO A 85 12.540 -3.353 13.877 1.00 13.54 C ATOM 1241 CD PRO A 85 12.546 -2.632 12.558 1.00 55.13 C ATOM 0 HA PRO A 85 15.721 -3.259 12.941 1.00 33.42 H new ATOM 0 HB2 PRO A 85 14.111 -4.380 14.909 1.00 55.23 H new ATOM 0 HB3 PRO A 85 14.331 -2.644 14.814 1.00 55.23 H new ATOM 0 HG2 PRO A 85 12.049 -4.322 13.790 1.00 13.54 H new ATOM 0 HG3 PRO A 85 11.993 -2.785 14.630 1.00 13.54 H new ATOM 0 HD2 PRO A 85 11.714 -2.943 11.926 1.00 55.13 H new ATOM 0 HD3 PRO A 85 12.461 -1.553 12.689 1.00 55.13 H new ATOM 1249 N VAL A 86 16.100 -5.512 12.158 1.00 61.44 N ATOM 1250 CA VAL A 86 16.409 -6.895 11.814 1.00 25.22 C ATOM 1251 C VAL A 86 17.685 -7.361 12.507 1.00 31.32 C ATOM 1252 O VAL A 86 18.660 -6.616 12.605 1.00 55.42 O ATOM 1253 CB VAL A 86 16.571 -7.073 10.293 1.00 74.12 C ATOM 1254 CG1 VAL A 86 15.210 -7.163 9.618 1.00 21.25 C ATOM 1255 CG2 VAL A 86 17.391 -5.933 9.707 1.00 35.34 C ATOM 0 H VAL A 86 16.872 -4.860 12.017 1.00 61.44 H new ATOM 0 HA VAL A 86 15.570 -7.501 12.156 1.00 25.22 H new ATOM 0 HB VAL A 86 17.104 -8.006 10.109 1.00 74.12 H new ATOM 0 HG11 VAL A 86 15.344 -7.289 8.544 1.00 21.25 H new ATOM 0 HG12 VAL A 86 14.662 -8.016 10.017 1.00 21.25 H new ATOM 0 HG13 VAL A 86 14.648 -6.249 9.809 1.00 21.25 H new ATOM 0 HG21 VAL A 86 17.495 -6.075 8.631 1.00 35.34 H new ATOM 0 HG22 VAL A 86 16.888 -4.986 9.901 1.00 35.34 H new ATOM 0 HG23 VAL A 86 18.378 -5.920 10.169 1.00 35.34 H new ATOM 1265 N VAL A 87 17.672 -8.601 12.987 1.00 12.24 N ATOM 1266 CA VAL A 87 18.828 -9.168 13.671 1.00 61.34 C ATOM 1267 C VAL A 87 19.731 -9.914 12.695 1.00 64.11 C ATOM 1268 O VAL A 87 19.311 -10.879 12.056 1.00 53.32 O ATOM 1269 CB VAL A 87 18.400 -10.130 14.794 1.00 33.45 C ATOM 1270 CG1 VAL A 87 17.735 -9.365 15.928 1.00 14.12 C ATOM 1271 CG2 VAL A 87 17.472 -11.206 14.250 1.00 53.32 C ATOM 0 H VAL A 87 16.874 -9.232 12.915 1.00 12.24 H new ATOM 0 HA VAL A 87 19.378 -8.334 14.108 1.00 61.34 H new ATOM 0 HB VAL A 87 19.291 -10.617 15.190 1.00 33.45 H new ATOM 0 HG11 VAL A 87 17.439 -10.062 16.712 1.00 14.12 H new ATOM 0 HG12 VAL A 87 18.436 -8.636 16.335 1.00 14.12 H new ATOM 0 HG13 VAL A 87 16.853 -8.848 15.550 1.00 14.12 H new ATOM 0 HG21 VAL A 87 17.180 -11.877 15.058 1.00 53.32 H new ATOM 0 HG22 VAL A 87 16.583 -10.739 13.826 1.00 53.32 H new ATOM 0 HG23 VAL A 87 17.988 -11.774 13.476 1.00 53.32 H new ATOM 1281 N PHE A 88 20.976 -9.461 12.585 1.00 30.31 N ATOM 1282 CA PHE A 88 21.940 -10.085 11.686 1.00 21.55 C ATOM 1283 C PHE A 88 22.947 -10.925 12.467 1.00 4.53 C ATOM 1284 O PHE A 88 23.242 -10.639 13.628 1.00 32.30 O ATOM 1285 CB PHE A 88 22.672 -9.019 10.869 1.00 23.03 C ATOM 1286 CG PHE A 88 23.799 -8.362 11.614 1.00 62.10 C ATOM 1287 CD1 PHE A 88 23.554 -7.306 12.477 1.00 42.12 C ATOM 1288 CD2 PHE A 88 25.103 -8.801 11.452 1.00 43.04 C ATOM 1289 CE1 PHE A 88 24.590 -6.699 13.162 1.00 35.35 C ATOM 1290 CE2 PHE A 88 26.143 -8.198 12.135 1.00 33.41 C ATOM 1291 CZ PHE A 88 25.885 -7.147 12.992 1.00 1.24 C ATOM 0 H PHE A 88 21.341 -8.664 13.107 1.00 30.31 H new ATOM 0 HA PHE A 88 21.395 -10.741 11.008 1.00 21.55 H new ATOM 0 HB2 PHE A 88 23.065 -9.475 9.960 1.00 23.03 H new ATOM 0 HB3 PHE A 88 21.958 -8.256 10.560 1.00 23.03 H new ATOM 0 HD1 PHE A 88 22.543 -6.953 12.616 1.00 42.12 H new ATOM 0 HD2 PHE A 88 25.310 -9.624 10.784 1.00 43.04 H new ATOM 0 HE1 PHE A 88 24.387 -5.875 13.830 1.00 35.35 H new ATOM 0 HE2 PHE A 88 27.155 -8.549 11.998 1.00 33.41 H new ATOM 0 HZ PHE A 88 26.695 -6.676 13.529 1.00 1.24 H new ATOM 1301 N SER A 89 23.472 -11.961 11.822 1.00 71.14 N ATOM 1302 CA SER A 89 24.443 -12.845 12.456 1.00 71.12 C ATOM 1303 C SER A 89 25.701 -12.971 11.602 1.00 23.35 C ATOM 1304 O SER A 89 25.640 -12.913 10.374 1.00 31.42 O ATOM 1305 CB SER A 89 23.830 -14.227 12.689 1.00 70.45 C ATOM 1306 OG SER A 89 23.466 -14.402 14.047 1.00 50.21 O ATOM 0 H SER A 89 23.241 -12.209 10.860 1.00 71.14 H new ATOM 0 HA SER A 89 24.719 -12.412 13.417 1.00 71.12 H new ATOM 0 HB2 SER A 89 22.952 -14.350 12.055 1.00 70.45 H new ATOM 0 HB3 SER A 89 24.543 -14.998 12.398 1.00 70.45 H new ATOM 0 HG SER A 89 24.194 -14.090 14.624 1.00 50.21 H new ATOM 1312 N ARG A 90 26.842 -13.144 12.263 1.00 55.01 N ATOM 1313 CA ARG A 90 28.115 -13.277 11.566 1.00 23.23 C ATOM 1314 C ARG A 90 28.815 -14.576 11.957 1.00 44.50 C ATOM 1315 O ARG A 90 29.792 -14.565 12.706 1.00 4.50 O ATOM 1316 CB ARG A 90 29.019 -12.084 11.879 1.00 4.44 C ATOM 1317 CG ARG A 90 30.146 -11.893 10.877 1.00 55.15 C ATOM 1318 CD ARG A 90 30.486 -10.422 10.694 1.00 71.10 C ATOM 1319 NE ARG A 90 31.927 -10.186 10.726 1.00 13.31 N ATOM 1320 CZ ARG A 90 32.471 -8.991 10.930 1.00 61.24 C ATOM 1321 NH1 ARG A 90 31.698 -7.930 11.118 1.00 25.44 N ATOM 1322 NH2 ARG A 90 33.791 -8.856 10.945 1.00 60.20 N ATOM 0 H ARG A 90 26.910 -13.195 13.279 1.00 55.01 H new ATOM 0 HA ARG A 90 27.914 -13.300 10.495 1.00 23.23 H new ATOM 0 HB2 ARG A 90 28.413 -11.178 11.909 1.00 4.44 H new ATOM 0 HB3 ARG A 90 29.447 -12.214 12.873 1.00 4.44 H new ATOM 0 HG2 ARG A 90 31.031 -12.433 11.216 1.00 55.15 H new ATOM 0 HG3 ARG A 90 29.858 -12.323 9.918 1.00 55.15 H new ATOM 0 HD2 ARG A 90 30.082 -10.072 9.744 1.00 71.10 H new ATOM 0 HD3 ARG A 90 30.005 -9.838 11.479 1.00 71.10 H new ATOM 0 HE ARG A 90 32.549 -10.982 10.584 1.00 13.31 H new ATOM 0 HH11 ARG A 90 30.683 -8.030 11.106 1.00 25.44 H new ATOM 0 HH12 ARG A 90 32.118 -7.014 11.274 1.00 25.44 H new ATOM 0 HH21 ARG A 90 34.389 -9.670 10.800 1.00 60.20 H new ATOM 0 HH22 ARG A 90 34.208 -7.938 11.102 1.00 60.20 H new ATOM 1336 N ASP A 91 28.309 -15.692 11.445 1.00 11.21 N ATOM 1337 CA ASP A 91 28.886 -16.998 11.740 1.00 75.53 C ATOM 1338 C ASP A 91 28.769 -17.321 13.226 1.00 33.41 C ATOM 1339 O ASP A 91 29.758 -17.646 13.881 1.00 63.32 O ATOM 1340 CB ASP A 91 30.353 -17.041 11.310 1.00 53.13 C ATOM 1341 CG ASP A 91 30.613 -16.225 10.059 1.00 61.13 C ATOM 1342 OD1 ASP A 91 29.914 -16.449 9.048 1.00 42.31 O ATOM 1343 OD2 ASP A 91 31.515 -15.362 10.091 1.00 62.44 O ATOM 0 H ASP A 91 27.501 -15.719 10.824 1.00 11.21 H new ATOM 0 HA ASP A 91 28.329 -17.748 11.179 1.00 75.53 H new ATOM 0 HB2 ASP A 91 30.978 -16.667 12.121 1.00 53.13 H new ATOM 0 HB3 ASP A 91 30.647 -18.076 11.133 1.00 53.13 H new ATOM 1348 N GLY A 92 27.551 -17.228 13.753 1.00 24.30 N ATOM 1349 CA GLY A 92 27.328 -17.512 15.158 1.00 32.35 C ATOM 1350 C GLY A 92 27.215 -16.252 15.994 1.00 61.52 C ATOM 1351 O GLY A 92 26.648 -16.272 17.086 1.00 14.31 O ATOM 0 H GLY A 92 26.716 -16.961 13.232 1.00 24.30 H new ATOM 0 HA2 GLY A 92 26.416 -18.099 15.266 1.00 32.35 H new ATOM 0 HA3 GLY A 92 28.147 -18.123 15.536 1.00 32.35 H new ATOM 1355 N VAL A 93 27.758 -15.153 15.480 1.00 24.24 N ATOM 1356 CA VAL A 93 27.717 -13.878 16.187 1.00 72.44 C ATOM 1357 C VAL A 93 26.288 -13.358 16.297 1.00 43.40 C ATOM 1358 O VAL A 93 25.518 -13.418 15.338 1.00 1.24 O ATOM 1359 CB VAL A 93 28.585 -12.818 15.483 1.00 60.40 C ATOM 1360 CG1 VAL A 93 28.510 -11.491 16.221 1.00 10.43 C ATOM 1361 CG2 VAL A 93 30.025 -13.297 15.374 1.00 0.41 C ATOM 0 H VAL A 93 28.231 -15.120 14.577 1.00 24.24 H new ATOM 0 HA VAL A 93 28.114 -14.056 17.186 1.00 72.44 H new ATOM 0 HB VAL A 93 28.199 -12.667 14.475 1.00 60.40 H new ATOM 0 HG11 VAL A 93 29.129 -10.754 15.709 1.00 10.43 H new ATOM 0 HG12 VAL A 93 27.477 -11.144 16.242 1.00 10.43 H new ATOM 0 HG13 VAL A 93 28.870 -11.621 17.242 1.00 10.43 H new ATOM 0 HG21 VAL A 93 30.625 -12.536 14.874 1.00 0.41 H new ATOM 0 HG22 VAL A 93 30.425 -13.477 16.372 1.00 0.41 H new ATOM 0 HG23 VAL A 93 30.058 -14.222 14.798 1.00 0.41 H new ATOM 1371 N VAL A 94 25.940 -12.845 17.473 1.00 22.22 N ATOM 1372 CA VAL A 94 24.604 -12.312 17.709 1.00 10.33 C ATOM 1373 C VAL A 94 24.645 -10.803 17.922 1.00 15.42 C ATOM 1374 O VAL A 94 25.174 -10.321 18.923 1.00 0.11 O ATOM 1375 CB VAL A 94 23.943 -12.974 18.933 1.00 63.11 C ATOM 1376 CG1 VAL A 94 22.554 -12.399 19.166 1.00 25.45 C ATOM 1377 CG2 VAL A 94 23.881 -14.483 18.753 1.00 64.34 C ATOM 0 H VAL A 94 26.565 -12.787 18.277 1.00 22.22 H new ATOM 0 HA VAL A 94 24.013 -12.536 16.821 1.00 10.33 H new ATOM 0 HB VAL A 94 24.550 -12.760 19.812 1.00 63.11 H new ATOM 0 HG11 VAL A 94 22.103 -12.879 20.035 1.00 25.45 H new ATOM 0 HG12 VAL A 94 22.629 -11.326 19.342 1.00 25.45 H new ATOM 0 HG13 VAL A 94 21.933 -12.580 18.288 1.00 25.45 H new ATOM 0 HG21 VAL A 94 23.411 -14.935 19.627 1.00 64.34 H new ATOM 0 HG22 VAL A 94 23.297 -14.720 17.864 1.00 64.34 H new ATOM 0 HG23 VAL A 94 24.891 -14.878 18.639 1.00 64.34 H new ATOM 1387 N MET A 95 24.081 -10.062 16.974 1.00 51.52 N ATOM 1388 CA MET A 95 24.051 -8.606 17.059 1.00 42.04 C ATOM 1389 C MET A 95 22.790 -8.049 16.407 1.00 74.14 C ATOM 1390 O MET A 95 22.171 -8.706 15.569 1.00 11.40 O ATOM 1391 CB MET A 95 25.291 -8.009 16.390 1.00 60.44 C ATOM 1392 CG MET A 95 25.579 -6.578 16.811 1.00 42.41 C ATOM 1393 SD MET A 95 26.027 -6.443 18.552 1.00 4.31 S ATOM 1394 CE MET A 95 25.234 -4.897 18.987 1.00 3.31 C ATOM 0 H MET A 95 23.639 -10.445 16.139 1.00 51.52 H new ATOM 0 HA MET A 95 24.046 -8.329 18.113 1.00 42.04 H new ATOM 0 HB2 MET A 95 26.155 -8.629 16.626 1.00 60.44 H new ATOM 0 HB3 MET A 95 25.161 -8.042 15.308 1.00 60.44 H new ATOM 0 HG2 MET A 95 26.389 -6.179 16.200 1.00 42.41 H new ATOM 0 HG3 MET A 95 24.701 -5.963 16.617 1.00 42.41 H new ATOM 0 HE1 MET A 95 25.421 -4.675 20.038 1.00 3.31 H new ATOM 0 HE2 MET A 95 25.638 -4.095 18.370 1.00 3.31 H new ATOM 0 HE3 MET A 95 24.160 -4.979 18.819 1.00 3.31 H new ATOM 1404 N SER A 96 22.414 -6.835 16.796 1.00 33.24 N ATOM 1405 CA SER A 96 21.223 -6.192 16.253 1.00 63.25 C ATOM 1406 C SER A 96 21.594 -4.934 15.473 1.00 14.13 C ATOM 1407 O SER A 96 22.390 -4.117 15.934 1.00 1.04 O ATOM 1408 CB SER A 96 20.249 -5.840 17.378 1.00 34.40 C ATOM 1409 OG SER A 96 20.645 -4.654 18.044 1.00 62.11 O ATOM 0 H SER A 96 22.917 -6.277 17.486 1.00 33.24 H new ATOM 0 HA SER A 96 20.740 -6.893 15.572 1.00 63.25 H new ATOM 0 HB2 SER A 96 19.247 -5.713 16.969 1.00 34.40 H new ATOM 0 HB3 SER A 96 20.200 -6.662 18.092 1.00 34.40 H new ATOM 0 HG SER A 96 20.005 -4.450 18.757 1.00 62.11 H new ATOM 1415 N ALA A 97 21.009 -4.786 14.289 1.00 42.41 N ATOM 1416 CA ALA A 97 21.275 -3.627 13.446 1.00 43.14 C ATOM 1417 C ALA A 97 20.005 -3.152 12.749 1.00 52.32 C ATOM 1418 O ALA A 97 19.199 -3.959 12.284 1.00 64.11 O ATOM 1419 CB ALA A 97 22.350 -3.956 12.420 1.00 2.03 C ATOM 0 H ALA A 97 20.348 -5.454 13.892 1.00 42.41 H new ATOM 0 HA ALA A 97 21.632 -2.819 14.085 1.00 43.14 H new ATOM 0 HB1 ALA A 97 22.538 -3.081 11.797 1.00 2.03 H new ATOM 0 HB2 ALA A 97 23.268 -4.240 12.934 1.00 2.03 H new ATOM 0 HB3 ALA A 97 22.014 -4.782 11.793 1.00 2.03 H new ATOM 1425 N THR A 98 19.830 -1.836 12.680 1.00 52.50 N ATOM 1426 CA THR A 98 18.656 -1.253 12.042 1.00 43.22 C ATOM 1427 C THR A 98 18.978 -0.776 10.630 1.00 20.01 C ATOM 1428 O THR A 98 19.983 -0.100 10.407 1.00 31.12 O ATOM 1429 CB THR A 98 18.103 -0.069 12.857 1.00 33.35 C ATOM 1430 OG1 THR A 98 18.084 -0.401 14.250 1.00 15.34 O ATOM 1431 CG2 THR A 98 16.699 0.295 12.398 1.00 32.33 C ATOM 0 H THR A 98 20.487 -1.153 13.058 1.00 52.50 H new ATOM 0 HA THR A 98 17.900 -2.037 11.995 1.00 43.22 H new ATOM 0 HB THR A 98 18.754 0.790 12.697 1.00 33.35 H new ATOM 0 HG1 THR A 98 17.733 0.357 14.762 1.00 15.34 H new ATOM 0 HG21 THR A 98 16.329 1.134 12.988 1.00 32.33 H new ATOM 0 HG22 THR A 98 16.722 0.574 11.345 1.00 32.33 H new ATOM 0 HG23 THR A 98 16.039 -0.562 12.532 1.00 32.33 H new ATOM 1439 N ILE A 99 18.119 -1.131 9.681 1.00 62.35 N ATOM 1440 CA ILE A 99 18.312 -0.737 8.290 1.00 21.45 C ATOM 1441 C ILE A 99 17.248 0.262 7.850 1.00 70.04 C ATOM 1442 O ILE A 99 16.051 0.014 7.992 1.00 74.54 O ATOM 1443 CB ILE A 99 18.277 -1.956 7.350 1.00 73.32 C ATOM 1444 CG1 ILE A 99 16.930 -2.674 7.460 1.00 21.44 C ATOM 1445 CG2 ILE A 99 19.419 -2.908 7.673 1.00 33.10 C ATOM 1446 CD1 ILE A 99 16.873 -3.974 6.688 1.00 10.22 C ATOM 0 H ILE A 99 17.283 -1.690 9.849 1.00 62.35 H new ATOM 0 HA ILE A 99 19.294 -0.269 8.227 1.00 21.45 H new ATOM 0 HB ILE A 99 18.400 -1.608 6.324 1.00 73.32 H new ATOM 0 HG12 ILE A 99 16.719 -2.875 8.510 1.00 21.44 H new ATOM 0 HG13 ILE A 99 16.144 -2.011 7.098 1.00 21.44 H new ATOM 0 HG21 ILE A 99 19.380 -3.764 7.000 1.00 33.10 H new ATOM 0 HG22 ILE A 99 20.370 -2.391 7.548 1.00 33.10 H new ATOM 0 HG23 ILE A 99 19.326 -3.252 8.703 1.00 33.10 H new ATOM 0 HD11 ILE A 99 15.890 -4.428 6.811 1.00 10.22 H new ATOM 0 HD12 ILE A 99 17.052 -3.778 5.631 1.00 10.22 H new ATOM 0 HD13 ILE A 99 17.636 -4.655 7.065 1.00 10.22 H new ATOM 1458 N VAL A 100 17.693 1.393 7.312 1.00 50.31 N ATOM 1459 CA VAL A 100 16.779 2.430 6.847 1.00 63.12 C ATOM 1460 C VAL A 100 16.451 2.251 5.369 1.00 64.32 C ATOM 1461 O VAL A 100 17.307 2.441 4.504 1.00 0.23 O ATOM 1462 CB VAL A 100 17.369 3.836 7.064 1.00 53.33 C ATOM 1463 CG1 VAL A 100 17.386 4.186 8.544 1.00 32.30 C ATOM 1464 CG2 VAL A 100 18.767 3.925 6.470 1.00 34.14 C ATOM 0 H VAL A 100 18.681 1.615 7.187 1.00 50.31 H new ATOM 0 HA VAL A 100 15.865 2.333 7.433 1.00 63.12 H new ATOM 0 HB VAL A 100 16.735 4.560 6.552 1.00 53.33 H new ATOM 0 HG11 VAL A 100 17.806 5.183 8.677 1.00 32.30 H new ATOM 0 HG12 VAL A 100 16.368 4.166 8.934 1.00 32.30 H new ATOM 0 HG13 VAL A 100 17.996 3.460 9.083 1.00 32.30 H new ATOM 0 HG21 VAL A 100 19.168 4.925 6.633 1.00 34.14 H new ATOM 0 HG22 VAL A 100 19.414 3.192 6.951 1.00 34.14 H new ATOM 0 HG23 VAL A 100 18.721 3.722 5.400 1.00 34.14 H new ATOM 1474 N VAL A 101 15.206 1.883 5.085 1.00 51.32 N ATOM 1475 CA VAL A 101 14.763 1.680 3.711 1.00 63.44 C ATOM 1476 C VAL A 101 14.257 2.980 3.098 1.00 51.52 C ATOM 1477 O VAL A 101 13.505 3.724 3.727 1.00 73.44 O ATOM 1478 CB VAL A 101 13.649 0.619 3.631 1.00 12.41 C ATOM 1479 CG1 VAL A 101 12.367 1.144 4.260 1.00 21.33 C ATOM 1480 CG2 VAL A 101 13.412 0.203 2.187 1.00 2.02 C ATOM 0 H VAL A 101 14.486 1.719 5.789 1.00 51.32 H new ATOM 0 HA VAL A 101 15.629 1.330 3.148 1.00 63.44 H new ATOM 0 HB VAL A 101 13.967 -0.261 4.191 1.00 12.41 H new ATOM 0 HG11 VAL A 101 11.591 0.381 4.195 1.00 21.33 H new ATOM 0 HG12 VAL A 101 12.549 1.388 5.307 1.00 21.33 H new ATOM 0 HG13 VAL A 101 12.042 2.039 3.730 1.00 21.33 H new ATOM 0 HG21 VAL A 101 12.622 -0.547 2.149 1.00 2.02 H new ATOM 0 HG22 VAL A 101 13.114 1.073 1.602 1.00 2.02 H new ATOM 0 HG23 VAL A 101 14.330 -0.216 1.774 1.00 2.02 H new ATOM 1490 N GLY A 102 14.675 3.250 1.864 1.00 33.45 N ATOM 1491 CA GLY A 102 14.253 4.461 1.186 1.00 2.33 C ATOM 1492 C GLY A 102 13.626 4.181 -0.165 1.00 15.22 C ATOM 1493 O GLY A 102 14.227 3.520 -1.010 1.00 45.22 O ATOM 0 H GLY A 102 15.298 2.651 1.323 1.00 33.45 H new ATOM 0 HA2 GLY A 102 13.537 4.993 1.812 1.00 2.33 H new ATOM 0 HA3 GLY A 102 15.112 5.119 1.055 1.00 2.33 H new ATOM 1497 N GLU A 103 12.412 4.684 -0.367 1.00 73.04 N ATOM 1498 CA GLU A 103 11.702 4.481 -1.625 1.00 12.21 C ATOM 1499 C GLU A 103 11.343 5.817 -2.269 1.00 1.52 C ATOM 1500 O GLU A 103 11.832 6.150 -3.349 1.00 43.31 O ATOM 1501 CB GLU A 103 10.433 3.657 -1.393 1.00 44.52 C ATOM 1502 CG GLU A 103 10.076 2.749 -2.558 1.00 25.14 C ATOM 1503 CD GLU A 103 8.615 2.346 -2.557 1.00 15.53 C ATOM 1504 OE1 GLU A 103 7.833 2.955 -1.796 1.00 52.12 O ATOM 1505 OE2 GLU A 103 8.252 1.424 -3.316 1.00 21.53 O ATOM 0 H GLU A 103 11.900 5.234 0.323 1.00 73.04 H new ATOM 0 HA GLU A 103 12.362 3.937 -2.301 1.00 12.21 H new ATOM 0 HB2 GLU A 103 10.563 3.050 -0.497 1.00 44.52 H new ATOM 0 HB3 GLU A 103 9.600 4.334 -1.202 1.00 44.52 H new ATOM 0 HG2 GLU A 103 10.308 3.257 -3.494 1.00 25.14 H new ATOM 0 HG3 GLU A 103 10.696 1.853 -2.519 1.00 25.14 H new ATOM 1512 N LEU A 104 10.486 6.579 -1.598 1.00 74.14 N ATOM 1513 CA LEU A 104 10.060 7.879 -2.104 1.00 52.41 C ATOM 1514 C LEU A 104 10.159 8.945 -1.018 1.00 12.34 C ATOM 1515 O LEU A 104 9.150 9.508 -0.594 1.00 41.41 O ATOM 1516 CB LEU A 104 8.625 7.800 -2.627 1.00 55.03 C ATOM 1517 CG LEU A 104 7.660 6.937 -1.813 1.00 11.32 C ATOM 1518 CD1 LEU A 104 6.416 7.731 -1.443 1.00 63.31 C ATOM 1519 CD2 LEU A 104 7.284 5.682 -2.587 1.00 14.23 C ATOM 0 H LEU A 104 10.073 6.319 -0.702 1.00 74.14 H new ATOM 0 HA LEU A 104 10.724 8.157 -2.923 1.00 52.41 H new ATOM 0 HB2 LEU A 104 8.222 8.811 -2.678 1.00 55.03 H new ATOM 0 HB3 LEU A 104 8.652 7.416 -3.647 1.00 55.03 H new ATOM 0 HG LEU A 104 8.160 6.635 -0.893 1.00 11.32 H new ATOM 0 HD11 LEU A 104 5.741 7.101 -0.864 1.00 63.31 H new ATOM 0 HD12 LEU A 104 6.702 8.599 -0.848 1.00 63.31 H new ATOM 0 HD13 LEU A 104 5.913 8.063 -2.351 1.00 63.31 H new ATOM 0 HD21 LEU A 104 6.597 5.080 -1.992 1.00 14.23 H new ATOM 0 HD22 LEU A 104 6.803 5.963 -3.524 1.00 14.23 H new ATOM 0 HD23 LEU A 104 8.183 5.103 -2.800 1.00 14.23 H new ATOM 1531 N GLU A 105 11.382 9.218 -0.573 1.00 34.12 N ATOM 1532 CA GLU A 105 11.612 10.218 0.463 1.00 34.45 C ATOM 1533 C GLU A 105 11.048 11.573 0.046 1.00 10.04 C ATOM 1534 O GLU A 105 11.593 12.239 -0.833 1.00 63.30 O ATOM 1535 CB GLU A 105 13.108 10.344 0.758 1.00 13.04 C ATOM 1536 CG GLU A 105 13.608 9.359 1.801 1.00 32.51 C ATOM 1537 CD GLU A 105 14.116 8.068 1.188 1.00 40.11 C ATOM 1538 OE1 GLU A 105 13.524 7.613 0.187 1.00 22.22 O ATOM 1539 OE2 GLU A 105 15.106 7.514 1.709 1.00 23.15 O ATOM 0 H GLU A 105 12.228 8.761 -0.914 1.00 34.12 H new ATOM 0 HA GLU A 105 11.097 9.893 1.367 1.00 34.45 H new ATOM 0 HB2 GLU A 105 13.666 10.195 -0.167 1.00 13.04 H new ATOM 0 HB3 GLU A 105 13.319 11.358 1.098 1.00 13.04 H new ATOM 0 HG2 GLU A 105 14.408 9.822 2.379 1.00 32.51 H new ATOM 0 HG3 GLU A 105 12.801 9.133 2.498 1.00 32.51 H new TER 1546 GLU A 105