USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 757 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 3 THR OG1 : rot 180:sc= -0.0783 USER MOD Set 1.2: A 35 SER OG : rot -130:sc= -0.384 USER MOD Set 2.1: A 24 SER OG : rot 180:sc= -0.104 USER MOD Set 2.2: A 55 GLN : amide:sc= 0.0849 K(o=-0.019,f=-2.7!) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 20 CYS SG : rot -129:sc= 0.411 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 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.293 USER MOD Single : A 26 GLN : amide:sc= -0.0434 X(o=-0.043,f=0) USER MOD Single : A 29 THR OG1 : rot -30:sc= 0.536 USER MOD Single : A 30 GLN : amide:sc= -1.59 K(o=-1.6,f=-1) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.892 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.487 USER MOD Single : A 36 ASN : amide:sc= -3.32 K(o=-3.3,f=-2.3!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.891 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0294 USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.336 USER MOD Single : A 71 ASN : amide:sc= -0.731 K(o=-0.73,f=-0.13) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 77 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-3.6) 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= 0.275 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 19:sc= 0.39 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.989 -0.364 0.509 1.00 74.35 N ATOM 2 CA PRO A 1 1.602 -0.214 -0.814 1.00 53.35 C ATOM 3 C PRO A 1 1.403 -1.447 -1.689 1.00 63.01 C ATOM 4 O PRO A 1 0.656 -2.359 -1.333 1.00 71.24 O ATOM 5 CB PRO A 1 3.086 -0.016 -0.497 1.00 61.52 C ATOM 6 CG PRO A 1 3.282 -0.675 0.824 1.00 32.55 C ATOM 7 CD PRO A 1 1.994 -0.484 1.577 1.00 4.24 C ATOM 0 H2 PRO A 1 0.391 -1.190 0.513 1.00 74.35 H new ATOM 0 H3 PRO A 1 0.389 0.439 0.697 1.00 74.35 H new ATOM 0 HA PRO A 1 1.159 0.607 -1.377 1.00 53.35 H new ATOM 0 HB2 PRO A 1 3.718 -0.467 -1.262 1.00 61.52 H new ATOM 0 HB3 PRO A 1 3.344 1.042 -0.454 1.00 61.52 H new ATOM 0 HG2 PRO A 1 3.509 -1.734 0.702 1.00 32.55 H new ATOM 0 HG3 PRO A 1 4.119 -0.229 1.362 1.00 32.55 H new ATOM 0 HD2 PRO A 1 1.784 -1.328 2.234 1.00 4.24 H new ATOM 0 HD3 PRO A 1 2.023 0.408 2.203 1.00 4.24 H new ATOM 15 N LEU A 2 2.077 -1.469 -2.834 1.00 33.21 N ATOM 16 CA LEU A 2 1.975 -2.592 -3.760 1.00 12.21 C ATOM 17 C LEU A 2 3.150 -2.605 -4.732 1.00 5.44 C ATOM 18 O LEU A 2 3.747 -1.565 -5.016 1.00 22.41 O ATOM 19 CB LEU A 2 0.658 -2.521 -4.535 1.00 42.24 C ATOM 20 CG LEU A 2 0.584 -1.462 -5.636 1.00 70.45 C ATOM 21 CD1 LEU A 2 0.691 -2.111 -7.008 1.00 41.50 C ATOM 22 CD2 LEU A 2 -0.706 -0.663 -5.522 1.00 3.24 C ATOM 0 H LEU A 2 2.700 -0.723 -3.143 1.00 33.21 H new ATOM 0 HA LEU A 2 1.998 -3.514 -3.179 1.00 12.21 H new ATOM 0 HB2 LEU A 2 0.470 -3.497 -4.984 1.00 42.24 H new ATOM 0 HB3 LEU A 2 -0.149 -2.336 -3.826 1.00 42.24 H new ATOM 0 HG LEU A 2 1.424 -0.778 -5.513 1.00 70.45 H new ATOM 0 HD11 LEU A 2 0.636 -1.343 -7.779 1.00 41.50 H new ATOM 0 HD12 LEU A 2 1.642 -2.638 -7.088 1.00 41.50 H new ATOM 0 HD13 LEU A 2 -0.128 -2.818 -7.141 1.00 41.50 H new ATOM 0 HD21 LEU A 2 -0.741 0.086 -6.313 1.00 3.24 H new ATOM 0 HD22 LEU A 2 -1.559 -1.334 -5.619 1.00 3.24 H new ATOM 0 HD23 LEU A 2 -0.743 -0.167 -4.552 1.00 3.24 H new ATOM 34 N THR A 3 3.478 -3.788 -5.241 1.00 20.21 N ATOM 35 CA THR A 3 4.581 -3.937 -6.182 1.00 1.33 C ATOM 36 C THR A 3 4.150 -4.722 -7.415 1.00 21.31 C ATOM 37 O THR A 3 3.086 -5.341 -7.428 1.00 12.14 O ATOM 38 CB THR A 3 5.784 -4.645 -5.530 1.00 73.21 C ATOM 39 OG1 THR A 3 6.935 -4.533 -6.374 1.00 51.51 O ATOM 40 CG2 THR A 3 5.475 -6.113 -5.278 1.00 22.41 C ATOM 0 H THR A 3 2.995 -4.658 -5.017 1.00 20.21 H new ATOM 0 HA THR A 3 4.879 -2.932 -6.481 1.00 1.33 H new ATOM 0 HB THR A 3 5.987 -4.163 -4.574 1.00 73.21 H new ATOM 0 HG1 THR A 3 7.696 -4.984 -5.952 1.00 51.51 H new ATOM 0 HG21 THR A 3 6.339 -6.593 -4.817 1.00 22.41 H new ATOM 0 HG22 THR A 3 4.616 -6.195 -4.612 1.00 22.41 H new ATOM 0 HG23 THR A 3 5.249 -6.605 -6.224 1.00 22.41 H new ATOM 48 N ARG A 4 4.983 -4.694 -8.450 1.00 23.02 N ATOM 49 CA ARG A 4 4.687 -5.404 -9.689 1.00 4.35 C ATOM 50 C ARG A 4 5.328 -6.789 -9.688 1.00 14.31 C ATOM 51 O ARG A 4 6.319 -7.041 -9.003 1.00 32.14 O ATOM 52 CB ARG A 4 5.184 -4.601 -10.892 1.00 42.03 C ATOM 53 CG ARG A 4 6.636 -4.166 -10.777 1.00 11.52 C ATOM 54 CD ARG A 4 7.236 -3.860 -12.140 1.00 61.43 C ATOM 55 NE ARG A 4 6.593 -2.714 -12.777 1.00 62.23 N ATOM 56 CZ ARG A 4 7.097 -2.081 -13.830 1.00 50.54 C ATOM 57 NH1 ARG A 4 8.244 -2.480 -14.362 1.00 40.32 N ATOM 58 NH2 ARG A 4 6.453 -1.045 -14.354 1.00 72.41 N ATOM 0 H ARG A 4 5.868 -4.187 -8.455 1.00 23.02 H new ATOM 0 HA ARG A 4 3.606 -5.523 -9.762 1.00 4.35 H new ATOM 0 HB2 ARG A 4 5.064 -5.202 -11.794 1.00 42.03 H new ATOM 0 HB3 ARG A 4 4.557 -3.717 -11.012 1.00 42.03 H new ATOM 0 HG2 ARG A 4 6.703 -3.282 -10.142 1.00 11.52 H new ATOM 0 HG3 ARG A 4 7.215 -4.952 -10.292 1.00 11.52 H new ATOM 0 HD2 ARG A 4 8.302 -3.663 -12.030 1.00 61.43 H new ATOM 0 HD3 ARG A 4 7.138 -4.734 -12.784 1.00 61.43 H new ATOM 0 HE ARG A 4 5.709 -2.382 -12.392 1.00 62.23 H new ATOM 0 HH11 ARG A 4 8.742 -3.275 -13.963 1.00 40.32 H new ATOM 0 HH12 ARG A 4 8.628 -1.992 -15.171 1.00 40.32 H new ATOM 0 HH21 ARG A 4 5.570 -0.735 -13.948 1.00 72.41 H new ATOM 0 HH22 ARG A 4 6.841 -0.559 -15.163 1.00 72.41 H new ATOM 72 N PRO A 5 4.749 -7.709 -10.474 1.00 13.15 N ATOM 73 CA PRO A 5 5.246 -9.084 -10.581 1.00 51.31 C ATOM 74 C PRO A 5 6.583 -9.161 -11.309 1.00 63.14 C ATOM 75 O PRO A 5 6.639 -9.500 -12.492 1.00 14.02 O ATOM 76 CB PRO A 5 4.156 -9.793 -11.388 1.00 53.03 C ATOM 77 CG PRO A 5 3.503 -8.710 -12.177 1.00 23.41 C ATOM 78 CD PRO A 5 3.564 -7.478 -11.318 1.00 5.13 C ATOM 0 HA PRO A 5 5.429 -9.529 -9.603 1.00 51.31 H new ATOM 0 HB2 PRO A 5 4.580 -10.557 -12.040 1.00 53.03 H new ATOM 0 HB3 PRO A 5 3.441 -10.293 -10.734 1.00 53.03 H new ATOM 0 HG2 PRO A 5 4.019 -8.552 -13.124 1.00 23.41 H new ATOM 0 HG3 PRO A 5 2.471 -8.969 -12.416 1.00 23.41 H new ATOM 0 HD2 PRO A 5 3.668 -6.574 -11.918 1.00 5.13 H new ATOM 0 HD3 PRO A 5 2.661 -7.360 -10.719 1.00 5.13 H new ATOM 86 N TYR A 6 7.659 -8.846 -10.597 1.00 12.35 N ATOM 87 CA TYR A 6 8.996 -8.878 -11.176 1.00 44.21 C ATOM 88 C TYR A 6 9.916 -9.792 -10.373 1.00 62.52 C ATOM 89 O TYR A 6 10.012 -9.679 -9.150 1.00 53.34 O ATOM 90 CB TYR A 6 9.584 -7.467 -11.233 1.00 5.13 C ATOM 91 CG TYR A 6 10.715 -7.322 -12.226 1.00 5.44 C ATOM 92 CD1 TYR A 6 10.567 -6.544 -13.368 1.00 24.41 C ATOM 93 CD2 TYR A 6 11.931 -7.962 -12.022 1.00 65.13 C ATOM 94 CE1 TYR A 6 11.598 -6.409 -14.278 1.00 73.23 C ATOM 95 CE2 TYR A 6 12.968 -7.831 -12.926 1.00 74.45 C ATOM 96 CZ TYR A 6 12.796 -7.054 -14.053 1.00 32.21 C ATOM 97 OH TYR A 6 13.825 -6.923 -14.957 1.00 1.32 O ATOM 0 H TYR A 6 7.631 -8.565 -9.617 1.00 12.35 H new ATOM 0 HA TYR A 6 8.916 -9.272 -12.189 1.00 44.21 H new ATOM 0 HB2 TYR A 6 8.793 -6.763 -11.491 1.00 5.13 H new ATOM 0 HB3 TYR A 6 9.945 -7.192 -10.242 1.00 5.13 H new ATOM 0 HD1 TYR A 6 9.631 -6.037 -13.547 1.00 24.41 H new ATOM 0 HD2 TYR A 6 12.068 -8.572 -11.142 1.00 65.13 H new ATOM 0 HE1 TYR A 6 11.466 -5.801 -15.161 1.00 73.23 H new ATOM 0 HE2 TYR A 6 13.908 -8.334 -12.751 1.00 74.45 H new ATOM 0 HH TYR A 6 14.599 -7.440 -14.649 1.00 1.32 H new ATOM 107 N LEU A 7 10.592 -10.699 -11.070 1.00 23.44 N ATOM 108 CA LEU A 7 11.506 -11.635 -10.423 1.00 44.24 C ATOM 109 C LEU A 7 12.945 -11.383 -10.864 1.00 52.20 C ATOM 110 O LEU A 7 13.256 -11.417 -12.054 1.00 35.41 O ATOM 111 CB LEU A 7 11.107 -13.075 -10.748 1.00 33.34 C ATOM 112 CG LEU A 7 12.045 -14.165 -10.229 1.00 64.30 C ATOM 113 CD1 LEU A 7 11.758 -14.466 -8.766 1.00 50.22 C ATOM 114 CD2 LEU A 7 11.914 -15.427 -11.070 1.00 44.43 C ATOM 0 H LEU A 7 10.525 -10.806 -12.082 1.00 23.44 H new ATOM 0 HA LEU A 7 11.442 -11.481 -9.346 1.00 44.24 H new ATOM 0 HB2 LEU A 7 10.112 -13.256 -10.341 1.00 33.34 H new ATOM 0 HB3 LEU A 7 11.031 -13.174 -11.831 1.00 33.34 H new ATOM 0 HG LEU A 7 13.070 -13.803 -10.310 1.00 64.30 H new ATOM 0 HD11 LEU A 7 12.436 -15.244 -8.415 1.00 50.22 H new ATOM 0 HD12 LEU A 7 11.904 -13.563 -8.173 1.00 50.22 H new ATOM 0 HD13 LEU A 7 10.728 -14.807 -8.660 1.00 50.22 H new ATOM 0 HD21 LEU A 7 12.589 -16.192 -10.686 1.00 44.43 H new ATOM 0 HD22 LEU A 7 10.888 -15.791 -11.022 1.00 44.43 H new ATOM 0 HD23 LEU A 7 12.171 -15.203 -12.105 1.00 44.43 H new ATOM 126 N GLY A 8 13.820 -11.131 -9.895 1.00 12.10 N ATOM 127 CA GLY A 8 15.215 -10.879 -10.203 1.00 5.02 C ATOM 128 C GLY A 8 16.150 -11.815 -9.464 1.00 24.45 C ATOM 129 O GLY A 8 17.336 -11.524 -9.306 1.00 1.44 O ATOM 0 H GLY A 8 13.587 -11.097 -8.902 1.00 12.10 H new ATOM 0 HA2 GLY A 8 15.372 -10.986 -11.276 1.00 5.02 H new ATOM 0 HA3 GLY A 8 15.460 -9.848 -9.946 1.00 5.02 H new ATOM 133 N PHE A 9 15.616 -12.944 -9.007 1.00 45.43 N ATOM 134 CA PHE A 9 16.411 -13.925 -8.278 1.00 31.12 C ATOM 135 C PHE A 9 15.927 -15.342 -8.570 1.00 73.30 C ATOM 136 O PHE A 9 14.907 -15.537 -9.231 1.00 75.11 O ATOM 137 CB PHE A 9 16.343 -13.651 -6.774 1.00 5.01 C ATOM 138 CG PHE A 9 14.980 -13.873 -6.185 1.00 12.43 C ATOM 139 CD1 PHE A 9 13.928 -13.027 -6.500 1.00 64.34 C ATOM 140 CD2 PHE A 9 14.749 -14.926 -5.315 1.00 25.14 C ATOM 141 CE1 PHE A 9 12.672 -13.229 -5.960 1.00 41.33 C ATOM 142 CE2 PHE A 9 13.495 -15.133 -4.772 1.00 4.42 C ATOM 143 CZ PHE A 9 12.456 -14.282 -5.094 1.00 32.21 C ATOM 0 H PHE A 9 14.637 -13.201 -9.129 1.00 45.43 H new ATOM 0 HA PHE A 9 17.445 -13.837 -8.610 1.00 31.12 H new ATOM 0 HB2 PHE A 9 17.060 -14.294 -6.263 1.00 5.01 H new ATOM 0 HB3 PHE A 9 16.648 -12.621 -6.586 1.00 5.01 H new ATOM 0 HD1 PHE A 9 14.092 -12.200 -7.175 1.00 64.34 H new ATOM 0 HD2 PHE A 9 15.558 -15.593 -5.058 1.00 25.14 H new ATOM 0 HE1 PHE A 9 11.860 -12.564 -6.215 1.00 41.33 H new ATOM 0 HE2 PHE A 9 13.328 -15.959 -4.097 1.00 4.42 H new ATOM 0 HZ PHE A 9 11.476 -14.440 -4.669 1.00 32.21 H new ATOM 153 N ARG A 10 16.666 -16.328 -8.073 1.00 65.11 N ATOM 154 CA ARG A 10 16.314 -17.727 -8.282 1.00 25.41 C ATOM 155 C ARG A 10 15.937 -18.396 -6.963 1.00 52.31 C ATOM 156 O ARG A 10 16.369 -17.969 -5.892 1.00 51.44 O ATOM 157 CB ARG A 10 17.480 -18.477 -8.930 1.00 74.25 C ATOM 158 CG ARG A 10 17.582 -18.262 -10.432 1.00 31.24 C ATOM 159 CD ARG A 10 18.614 -19.187 -11.058 1.00 31.12 C ATOM 160 NE ARG A 10 19.810 -18.465 -11.482 1.00 41.14 N ATOM 161 CZ ARG A 10 20.986 -19.048 -11.688 1.00 40.51 C ATOM 162 NH1 ARG A 10 21.122 -20.354 -11.510 1.00 25.25 N ATOM 163 NH2 ARG A 10 22.028 -18.323 -12.074 1.00 5.23 N ATOM 0 H ARG A 10 17.513 -16.184 -7.523 1.00 65.11 H new ATOM 0 HA ARG A 10 15.452 -17.763 -8.948 1.00 25.41 H new ATOM 0 HB2 ARG A 10 18.411 -18.158 -8.462 1.00 74.25 H new ATOM 0 HB3 ARG A 10 17.371 -19.543 -8.730 1.00 74.25 H new ATOM 0 HG2 ARG A 10 16.609 -18.436 -10.892 1.00 31.24 H new ATOM 0 HG3 ARG A 10 17.850 -17.225 -10.635 1.00 31.24 H new ATOM 0 HD2 ARG A 10 18.892 -19.959 -10.340 1.00 31.12 H new ATOM 0 HD3 ARG A 10 18.173 -19.694 -11.916 1.00 31.12 H new ATOM 0 HE ARG A 10 19.739 -17.458 -11.628 1.00 41.14 H new ATOM 0 HH11 ARG A 10 20.323 -20.914 -11.214 1.00 25.25 H new ATOM 0 HH12 ARG A 10 22.026 -20.799 -11.669 1.00 25.25 H new ATOM 0 HH21 ARG A 10 21.926 -17.318 -12.213 1.00 5.23 H new ATOM 0 HH22 ARG A 10 22.931 -18.771 -12.232 1.00 5.23 H new ATOM 177 N VAL A 11 15.127 -19.446 -7.049 1.00 31.34 N ATOM 178 CA VAL A 11 14.691 -20.174 -5.863 1.00 21.13 C ATOM 179 C VAL A 11 14.787 -21.681 -6.077 1.00 13.45 C ATOM 180 O VAL A 11 14.320 -22.205 -7.087 1.00 70.21 O ATOM 181 CB VAL A 11 13.243 -19.812 -5.482 1.00 44.41 C ATOM 182 CG1 VAL A 11 13.186 -18.426 -4.857 1.00 44.13 C ATOM 183 CG2 VAL A 11 12.336 -19.894 -6.700 1.00 41.24 C ATOM 0 H VAL A 11 14.759 -19.812 -7.927 1.00 31.34 H new ATOM 0 HA VAL A 11 15.356 -19.882 -5.050 1.00 21.13 H new ATOM 0 HB VAL A 11 12.889 -20.532 -4.744 1.00 44.41 H new ATOM 0 HG11 VAL A 11 12.155 -18.187 -4.594 1.00 44.13 H new ATOM 0 HG12 VAL A 11 13.803 -18.406 -3.959 1.00 44.13 H new ATOM 0 HG13 VAL A 11 13.558 -17.690 -5.569 1.00 44.13 H new ATOM 0 HG21 VAL A 11 11.317 -19.635 -6.413 1.00 41.24 H new ATOM 0 HG22 VAL A 11 12.686 -19.198 -7.462 1.00 41.24 H new ATOM 0 HG23 VAL A 11 12.354 -20.908 -7.099 1.00 41.24 H new ATOM 193 N ALA A 12 15.395 -22.371 -5.118 1.00 34.44 N ATOM 194 CA ALA A 12 15.549 -23.818 -5.199 1.00 64.44 C ATOM 195 C ALA A 12 14.758 -24.518 -4.100 1.00 31.23 C ATOM 196 O ALA A 12 14.971 -24.269 -2.913 1.00 62.41 O ATOM 197 CB ALA A 12 17.021 -24.197 -5.116 1.00 74.44 C ATOM 0 H ALA A 12 15.789 -21.951 -4.276 1.00 34.44 H new ATOM 0 HA ALA A 12 15.153 -24.147 -6.160 1.00 64.44 H new ATOM 0 HB1 ALA A 12 17.122 -25.281 -5.178 1.00 74.44 H new ATOM 0 HB2 ALA A 12 17.563 -23.735 -5.941 1.00 74.44 H new ATOM 0 HB3 ALA A 12 17.434 -23.848 -4.170 1.00 74.44 H new ATOM 203 N VAL A 13 13.843 -25.394 -4.502 1.00 33.53 N ATOM 204 CA VAL A 13 13.019 -26.131 -3.550 1.00 44.20 C ATOM 205 C VAL A 13 13.739 -27.379 -3.051 1.00 51.12 C ATOM 206 O VAL A 13 14.252 -28.170 -3.841 1.00 43.24 O ATOM 207 CB VAL A 13 11.673 -26.543 -4.174 1.00 12.20 C ATOM 208 CG1 VAL A 13 11.895 -27.467 -5.361 1.00 72.04 C ATOM 209 CG2 VAL A 13 10.783 -27.204 -3.132 1.00 24.20 C ATOM 0 H VAL A 13 13.653 -25.611 -5.480 1.00 33.53 H new ATOM 0 HA VAL A 13 12.832 -25.463 -2.710 1.00 44.20 H new ATOM 0 HB VAL A 13 11.169 -25.646 -4.533 1.00 12.20 H new ATOM 0 HG11 VAL A 13 10.932 -27.747 -5.789 1.00 72.04 H new ATOM 0 HG12 VAL A 13 12.492 -26.954 -6.115 1.00 72.04 H new ATOM 0 HG13 VAL A 13 12.420 -28.363 -5.031 1.00 72.04 H new ATOM 0 HG21 VAL A 13 9.836 -27.489 -3.590 1.00 24.20 H new ATOM 0 HG22 VAL A 13 11.279 -28.093 -2.741 1.00 24.20 H new ATOM 0 HG23 VAL A 13 10.596 -26.505 -2.317 1.00 24.20 H new ATOM 219 N GLY A 14 13.772 -27.550 -1.733 1.00 13.51 N ATOM 220 CA GLY A 14 14.430 -28.704 -1.151 1.00 25.05 C ATOM 221 C GLY A 14 14.103 -28.878 0.319 1.00 31.41 C ATOM 222 O GLY A 14 13.099 -28.356 0.804 1.00 21.34 O ATOM 0 H GLY A 14 13.354 -26.909 -1.058 1.00 13.51 H new ATOM 0 HA2 GLY A 14 14.132 -29.601 -1.695 1.00 25.05 H new ATOM 0 HA3 GLY A 14 15.509 -28.602 -1.270 1.00 25.05 H new ATOM 226 N ARG A 15 14.951 -29.616 1.029 1.00 14.53 N ATOM 227 CA ARG A 15 14.744 -29.860 2.452 1.00 43.23 C ATOM 228 C ARG A 15 16.032 -29.626 3.236 1.00 63.42 C ATOM 229 O ARG A 15 17.124 -29.944 2.764 1.00 22.42 O ATOM 230 CB ARG A 15 14.248 -31.289 2.679 1.00 42.01 C ATOM 231 CG ARG A 15 12.814 -31.515 2.229 1.00 10.51 C ATOM 232 CD ARG A 15 12.722 -31.671 0.719 1.00 33.13 C ATOM 233 NE ARG A 15 11.782 -32.720 0.334 1.00 35.33 N ATOM 234 CZ ARG A 15 10.467 -32.628 0.504 1.00 23.04 C ATOM 235 NH1 ARG A 15 9.941 -31.540 1.049 1.00 32.15 N ATOM 236 NH2 ARG A 15 9.677 -33.625 0.128 1.00 32.23 N ATOM 0 H ARG A 15 15.787 -30.055 0.643 1.00 14.53 H new ATOM 0 HA ARG A 15 13.989 -29.160 2.810 1.00 43.23 H new ATOM 0 HB2 ARG A 15 14.900 -31.980 2.145 1.00 42.01 H new ATOM 0 HB3 ARG A 15 14.329 -31.529 3.739 1.00 42.01 H new ATOM 0 HG2 ARG A 15 12.416 -32.407 2.713 1.00 10.51 H new ATOM 0 HG3 ARG A 15 12.195 -30.676 2.548 1.00 10.51 H new ATOM 0 HD2 ARG A 15 12.412 -30.725 0.275 1.00 33.13 H new ATOM 0 HD3 ARG A 15 13.709 -31.903 0.318 1.00 33.13 H new ATOM 0 HE ARG A 15 12.155 -33.570 -0.089 1.00 35.33 H new ATOM 0 HH11 ARG A 15 10.546 -30.771 1.339 1.00 32.15 H new ATOM 0 HH12 ARG A 15 8.932 -31.471 1.179 1.00 32.15 H new ATOM 0 HH21 ARG A 15 10.079 -34.463 -0.292 1.00 32.23 H new ATOM 0 HH22 ARG A 15 8.668 -33.553 0.259 1.00 32.23 H new ATOM 250 N ASP A 16 15.897 -29.069 4.434 1.00 55.01 N ATOM 251 CA ASP A 16 17.049 -28.793 5.284 1.00 30.30 C ATOM 252 C ASP A 16 17.220 -29.883 6.338 1.00 52.20 C ATOM 253 O ASP A 16 16.484 -30.870 6.350 1.00 44.23 O ATOM 254 CB ASP A 16 16.896 -27.431 5.961 1.00 15.44 C ATOM 255 CG ASP A 16 15.493 -27.201 6.489 1.00 30.13 C ATOM 256 OD1 ASP A 16 15.200 -27.658 7.614 1.00 11.23 O ATOM 257 OD2 ASP A 16 14.689 -26.564 5.778 1.00 74.11 O ATOM 0 H ASP A 16 15.000 -28.799 4.839 1.00 55.01 H new ATOM 0 HA ASP A 16 17.939 -28.779 4.654 1.00 30.30 H new ATOM 0 HB2 ASP A 16 17.607 -27.355 6.783 1.00 15.44 H new ATOM 0 HB3 ASP A 16 17.147 -26.644 5.249 1.00 15.44 H new ATOM 262 N SER A 17 18.196 -29.697 7.221 1.00 13.01 N ATOM 263 CA SER A 17 18.467 -30.666 8.276 1.00 34.32 C ATOM 264 C SER A 17 17.267 -30.805 9.208 1.00 15.41 C ATOM 265 O SER A 17 17.067 -31.848 9.830 1.00 12.34 O ATOM 266 CB SER A 17 19.702 -30.249 9.076 1.00 23.40 C ATOM 267 OG SER A 17 19.914 -31.116 10.177 1.00 35.01 O ATOM 0 H SER A 17 18.812 -28.884 7.227 1.00 13.01 H new ATOM 0 HA SER A 17 18.655 -31.632 7.808 1.00 34.32 H new ATOM 0 HB2 SER A 17 20.579 -30.258 8.428 1.00 23.40 H new ATOM 0 HB3 SER A 17 19.580 -29.226 9.433 1.00 23.40 H new ATOM 0 HG SER A 17 20.710 -30.829 10.671 1.00 35.01 H new ATOM 273 N SER A 18 16.470 -29.744 9.299 1.00 64.03 N ATOM 274 CA SER A 18 15.292 -29.744 10.157 1.00 34.22 C ATOM 275 C SER A 18 14.107 -30.398 9.453 1.00 73.03 C ATOM 276 O SER A 18 13.436 -31.263 10.015 1.00 50.32 O ATOM 277 CB SER A 18 14.931 -28.314 10.565 1.00 64.31 C ATOM 278 OG SER A 18 13.532 -28.102 10.496 1.00 1.42 O ATOM 0 H SER A 18 16.620 -28.874 8.788 1.00 64.03 H new ATOM 0 HA SER A 18 15.525 -30.321 11.052 1.00 34.22 H new ATOM 0 HB2 SER A 18 15.281 -28.122 11.579 1.00 64.31 H new ATOM 0 HB3 SER A 18 15.442 -27.606 9.912 1.00 64.31 H new ATOM 0 HG SER A 18 13.327 -27.181 10.763 1.00 1.42 H new ATOM 284 N GLY A 19 13.855 -29.977 8.217 1.00 63.33 N ATOM 285 CA GLY A 19 12.752 -30.532 7.455 1.00 54.54 C ATOM 286 C GLY A 19 11.481 -29.717 7.598 1.00 22.23 C ATOM 287 O GLY A 19 10.448 -30.236 8.024 1.00 43.12 O ATOM 0 H GLY A 19 14.395 -29.262 7.730 1.00 63.33 H new ATOM 0 HA2 GLY A 19 13.031 -30.583 6.402 1.00 54.54 H new ATOM 0 HA3 GLY A 19 12.564 -31.554 7.785 1.00 54.54 H new ATOM 291 N CYS A 20 11.557 -28.439 7.245 1.00 74.12 N ATOM 292 CA CYS A 20 10.404 -27.550 7.339 1.00 32.40 C ATOM 293 C CYS A 20 9.941 -27.112 5.954 1.00 51.44 C ATOM 294 O CYS A 20 9.115 -26.208 5.820 1.00 43.34 O ATOM 295 CB CYS A 20 10.746 -26.325 8.187 1.00 4.14 C ATOM 296 SG CYS A 20 10.332 -26.500 9.939 1.00 64.33 S ATOM 0 H CYS A 20 12.404 -27.995 6.891 1.00 74.12 H new ATOM 0 HA CYS A 20 9.592 -28.098 7.817 1.00 32.40 H new ATOM 0 HB2 CYS A 20 11.813 -26.120 8.096 1.00 4.14 H new ATOM 0 HB3 CYS A 20 10.219 -25.460 7.785 1.00 4.14 H new ATOM 0 HG CYS A 20 9.629 -25.476 10.323 1.00 64.33 H new ATOM 302 N THR A 21 10.479 -27.757 4.923 1.00 4.24 N ATOM 303 CA THR A 21 10.124 -27.432 3.548 1.00 43.22 C ATOM 304 C THR A 21 10.257 -25.936 3.284 1.00 25.33 C ATOM 305 O THR A 21 9.296 -25.181 3.431 1.00 1.23 O ATOM 306 CB THR A 21 8.685 -27.873 3.220 1.00 64.22 C ATOM 307 OG1 THR A 21 8.364 -29.069 3.939 1.00 60.34 O ATOM 308 CG2 THR A 21 8.520 -28.113 1.727 1.00 50.23 C ATOM 0 H THR A 21 11.163 -28.508 5.015 1.00 4.24 H new ATOM 0 HA THR A 21 10.818 -27.975 2.906 1.00 43.22 H new ATOM 0 HB THR A 21 8.006 -27.075 3.521 1.00 64.22 H new ATOM 0 HG1 THR A 21 7.447 -29.342 3.727 1.00 60.34 H new ATOM 0 HG21 THR A 21 7.496 -28.423 1.519 1.00 50.23 H new ATOM 0 HG22 THR A 21 8.737 -27.193 1.184 1.00 50.23 H new ATOM 0 HG23 THR A 21 9.208 -28.895 1.406 1.00 50.23 H new ATOM 316 N THR A 22 11.456 -25.513 2.893 1.00 74.30 N ATOM 317 CA THR A 22 11.715 -24.107 2.609 1.00 33.51 C ATOM 318 C THR A 22 12.649 -23.951 1.415 1.00 41.21 C ATOM 319 O THR A 22 13.400 -24.867 1.076 1.00 35.03 O ATOM 320 CB THR A 22 12.332 -23.393 3.826 1.00 35.04 C ATOM 321 OG1 THR A 22 12.892 -22.138 3.425 1.00 0.25 O ATOM 322 CG2 THR A 22 13.409 -24.253 4.470 1.00 51.11 C ATOM 0 H THR A 22 12.262 -26.124 2.766 1.00 74.30 H new ATOM 0 HA THR A 22 10.754 -23.649 2.377 1.00 33.51 H new ATOM 0 HB THR A 22 11.542 -23.221 4.557 1.00 35.04 H new ATOM 0 HG1 THR A 22 13.418 -21.764 4.163 1.00 0.25 H new ATOM 0 HG21 THR A 22 13.830 -23.728 5.327 1.00 51.11 H new ATOM 0 HG22 THR A 22 12.973 -25.196 4.801 1.00 51.11 H new ATOM 0 HG23 THR A 22 14.197 -24.453 3.744 1.00 51.11 H new ATOM 330 N LEU A 23 12.600 -22.785 0.780 1.00 14.01 N ATOM 331 CA LEU A 23 13.443 -22.508 -0.377 1.00 42.43 C ATOM 332 C LEU A 23 14.620 -21.617 0.007 1.00 11.44 C ATOM 333 O LEU A 23 14.585 -20.933 1.031 1.00 64.42 O ATOM 334 CB LEU A 23 12.623 -21.840 -1.483 1.00 1.14 C ATOM 335 CG LEU A 23 11.590 -22.725 -2.180 1.00 34.43 C ATOM 336 CD1 LEU A 23 10.346 -22.876 -1.317 1.00 4.53 C ATOM 337 CD2 LEU A 23 11.229 -22.153 -3.543 1.00 1.54 C ATOM 0 H LEU A 23 11.985 -22.016 1.047 1.00 14.01 H new ATOM 0 HA LEU A 23 13.834 -23.457 -0.745 1.00 42.43 H new ATOM 0 HB2 LEU A 23 12.106 -20.980 -1.056 1.00 1.14 H new ATOM 0 HB3 LEU A 23 13.311 -21.456 -2.237 1.00 1.14 H new ATOM 0 HG LEU A 23 12.027 -23.713 -2.327 1.00 34.43 H new ATOM 0 HD11 LEU A 23 9.622 -23.509 -1.830 1.00 4.53 H new ATOM 0 HD12 LEU A 23 10.617 -23.332 -0.365 1.00 4.53 H new ATOM 0 HD13 LEU A 23 9.907 -21.895 -1.137 1.00 4.53 H new ATOM 0 HD21 LEU A 23 10.492 -22.797 -4.024 1.00 1.54 H new ATOM 0 HD22 LEU A 23 10.812 -21.154 -3.419 1.00 1.54 H new ATOM 0 HD23 LEU A 23 12.124 -22.099 -4.163 1.00 1.54 H new ATOM 349 N SER A 24 15.659 -21.628 -0.821 1.00 4.52 N ATOM 350 CA SER A 24 16.848 -20.822 -0.567 1.00 12.44 C ATOM 351 C SER A 24 17.124 -19.877 -1.733 1.00 34.51 C ATOM 352 O SER A 24 17.062 -20.276 -2.896 1.00 73.33 O ATOM 353 CB SER A 24 18.060 -21.724 -0.328 1.00 42.32 C ATOM 354 OG SER A 24 17.719 -22.831 0.487 1.00 23.33 O ATOM 0 H SER A 24 15.702 -22.186 -1.674 1.00 4.52 H new ATOM 0 HA SER A 24 16.667 -20.224 0.326 1.00 12.44 H new ATOM 0 HB2 SER A 24 18.448 -22.078 -1.283 1.00 42.32 H new ATOM 0 HB3 SER A 24 18.856 -21.150 0.147 1.00 42.32 H new ATOM 0 HG SER A 24 18.510 -23.393 0.624 1.00 23.33 H new ATOM 360 N ILE A 25 17.428 -18.624 -1.412 1.00 71.53 N ATOM 361 CA ILE A 25 17.714 -17.623 -2.432 1.00 63.54 C ATOM 362 C ILE A 25 19.170 -17.696 -2.881 1.00 20.25 C ATOM 363 O ILE A 25 20.080 -17.770 -2.055 1.00 41.24 O ATOM 364 CB ILE A 25 17.416 -16.201 -1.924 1.00 52.53 C ATOM 365 CG1 ILE A 25 15.946 -16.079 -1.515 1.00 24.40 C ATOM 366 CG2 ILE A 25 17.760 -15.174 -2.993 1.00 0.44 C ATOM 367 CD1 ILE A 25 15.562 -14.693 -1.047 1.00 31.53 C ATOM 0 H ILE A 25 17.483 -18.278 -0.454 1.00 71.53 H new ATOM 0 HA ILE A 25 17.064 -17.841 -3.279 1.00 63.54 H new ATOM 0 HB ILE A 25 18.035 -16.007 -1.048 1.00 52.53 H new ATOM 0 HG12 ILE A 25 15.318 -16.355 -2.362 1.00 24.40 H new ATOM 0 HG13 ILE A 25 15.739 -16.793 -0.718 1.00 24.40 H new ATOM 0 HG21 ILE A 25 17.544 -14.173 -2.619 1.00 0.44 H new ATOM 0 HG22 ILE A 25 18.819 -15.248 -3.241 1.00 0.44 H new ATOM 0 HG23 ILE A 25 17.164 -15.364 -3.886 1.00 0.44 H new ATOM 0 HD11 ILE A 25 14.507 -14.681 -0.774 1.00 31.53 H new ATOM 0 HD12 ILE A 25 16.165 -14.422 -0.180 1.00 31.53 H new ATOM 0 HD13 ILE A 25 15.737 -13.976 -1.849 1.00 31.53 H new ATOM 379 N GLN A 26 19.381 -17.673 -4.193 1.00 24.25 N ATOM 380 CA GLN A 26 20.727 -17.735 -4.750 1.00 62.41 C ATOM 381 C GLN A 26 21.136 -16.389 -5.338 1.00 54.31 C ATOM 382 O GLN A 26 22.291 -16.189 -5.712 1.00 31.32 O ATOM 383 CB GLN A 26 20.807 -18.820 -5.826 1.00 33.02 C ATOM 384 CG GLN A 26 20.888 -20.230 -5.263 1.00 40.13 C ATOM 385 CD GLN A 26 20.128 -21.238 -6.103 1.00 11.14 C ATOM 386 OE1 GLN A 26 20.725 -22.049 -6.811 1.00 51.24 O ATOM 387 NE2 GLN A 26 18.803 -21.193 -6.027 1.00 10.41 N ATOM 0 H GLN A 26 18.638 -17.612 -4.889 1.00 24.25 H new ATOM 0 HA GLN A 26 21.416 -17.982 -3.942 1.00 62.41 H new ATOM 0 HB2 GLN A 26 19.932 -18.745 -6.472 1.00 33.02 H new ATOM 0 HB3 GLN A 26 21.681 -18.636 -6.451 1.00 33.02 H new ATOM 0 HG2 GLN A 26 21.933 -20.532 -5.198 1.00 40.13 H new ATOM 0 HG3 GLN A 26 20.491 -20.235 -4.248 1.00 40.13 H new ATOM 0 HE21 GLN A 26 18.350 -20.504 -5.427 1.00 10.41 H new ATOM 0 HE22 GLN A 26 18.239 -21.848 -6.569 1.00 10.41 H new ATOM 396 N GLU A 27 20.180 -15.468 -5.417 1.00 35.42 N ATOM 397 CA GLU A 27 20.441 -14.141 -5.961 1.00 11.12 C ATOM 398 C GLU A 27 20.096 -13.058 -4.943 1.00 33.05 C ATOM 399 O GLU A 27 19.866 -13.345 -3.768 1.00 23.34 O ATOM 400 CB GLU A 27 19.637 -13.924 -7.244 1.00 70.25 C ATOM 401 CG GLU A 27 20.482 -13.470 -8.423 1.00 23.23 C ATOM 402 CD GLU A 27 20.856 -14.613 -9.347 1.00 5.22 C ATOM 403 OE1 GLU A 27 22.061 -14.930 -9.439 1.00 50.13 O ATOM 404 OE2 GLU A 27 19.946 -15.189 -9.977 1.00 71.32 O ATOM 0 H GLU A 27 19.218 -15.617 -5.111 1.00 35.42 H new ATOM 0 HA GLU A 27 21.504 -14.074 -6.191 1.00 11.12 H new ATOM 0 HB2 GLU A 27 19.131 -14.853 -7.507 1.00 70.25 H new ATOM 0 HB3 GLU A 27 18.862 -13.181 -7.056 1.00 70.25 H new ATOM 0 HG2 GLU A 27 19.935 -12.715 -8.988 1.00 23.23 H new ATOM 0 HG3 GLU A 27 21.390 -12.995 -8.053 1.00 23.23 H new ATOM 411 N VAL A 28 20.061 -11.811 -5.402 1.00 64.21 N ATOM 412 CA VAL A 28 19.744 -10.684 -4.533 1.00 20.52 C ATOM 413 C VAL A 28 18.481 -9.970 -4.999 1.00 14.33 C ATOM 414 O VAL A 28 18.394 -9.518 -6.141 1.00 43.30 O ATOM 415 CB VAL A 28 20.904 -9.672 -4.480 1.00 74.12 C ATOM 416 CG1 VAL A 28 20.728 -8.719 -3.308 1.00 31.12 C ATOM 417 CG2 VAL A 28 22.239 -10.396 -4.394 1.00 52.00 C ATOM 0 H VAL A 28 20.248 -11.556 -6.372 1.00 64.21 H new ATOM 0 HA VAL A 28 19.581 -11.090 -3.535 1.00 20.52 H new ATOM 0 HB VAL A 28 20.894 -9.085 -5.399 1.00 74.12 H new ATOM 0 HG11 VAL A 28 21.557 -8.011 -3.287 1.00 31.12 H new ATOM 0 HG12 VAL A 28 19.790 -8.175 -3.419 1.00 31.12 H new ATOM 0 HG13 VAL A 28 20.711 -9.286 -2.377 1.00 31.12 H new ATOM 0 HG21 VAL A 28 23.047 -9.666 -4.357 1.00 52.00 H new ATOM 0 HG22 VAL A 28 22.263 -11.009 -3.493 1.00 52.00 H new ATOM 0 HG23 VAL A 28 22.365 -11.033 -5.270 1.00 52.00 H new ATOM 427 N THR A 29 17.500 -9.870 -4.106 1.00 43.11 N ATOM 428 CA THR A 29 16.240 -9.211 -4.425 1.00 43.33 C ATOM 429 C THR A 29 15.981 -8.037 -3.487 1.00 73.43 C ATOM 430 O THR A 29 15.065 -7.245 -3.709 1.00 63.40 O ATOM 431 CB THR A 29 15.056 -10.192 -4.342 1.00 11.13 C ATOM 432 OG1 THR A 29 13.832 -9.508 -4.630 1.00 54.25 O ATOM 433 CG2 THR A 29 14.975 -10.826 -2.961 1.00 71.03 C ATOM 0 H THR A 29 17.555 -10.237 -3.156 1.00 43.11 H new ATOM 0 HA THR A 29 16.325 -8.843 -5.448 1.00 43.33 H new ATOM 0 HB THR A 29 15.213 -10.980 -5.078 1.00 11.13 H new ATOM 0 HG1 THR A 29 13.907 -8.572 -4.350 1.00 54.25 H new ATOM 0 HG21 THR A 29 14.131 -11.515 -2.926 1.00 71.03 H new ATOM 0 HG22 THR A 29 15.897 -11.370 -2.756 1.00 71.03 H new ATOM 0 HG23 THR A 29 14.839 -10.047 -2.211 1.00 71.03 H new ATOM 441 N GLN A 30 16.792 -7.932 -2.440 1.00 63.20 N ATOM 442 CA GLN A 30 16.649 -6.854 -1.468 1.00 60.44 C ATOM 443 C GLN A 30 17.369 -5.596 -1.942 1.00 12.24 C ATOM 444 O GLN A 30 17.418 -4.591 -1.231 1.00 51.02 O ATOM 445 CB GLN A 30 17.198 -7.289 -0.108 1.00 74.23 C ATOM 446 CG GLN A 30 16.136 -7.378 0.976 1.00 73.22 C ATOM 447 CD GLN A 30 16.491 -6.570 2.208 1.00 20.44 C ATOM 448 OE1 GLN A 30 16.429 -7.071 3.332 1.00 42.22 O ATOM 449 NE2 GLN A 30 16.866 -5.313 2.005 1.00 63.03 N ATOM 0 H GLN A 30 17.555 -8.580 -2.243 1.00 63.20 H new ATOM 0 HA GLN A 30 15.588 -6.627 -1.367 1.00 60.44 H new ATOM 0 HB2 GLN A 30 17.680 -8.261 -0.214 1.00 74.23 H new ATOM 0 HB3 GLN A 30 17.968 -6.584 0.206 1.00 74.23 H new ATOM 0 HG2 GLN A 30 15.185 -7.026 0.577 1.00 73.22 H new ATOM 0 HG3 GLN A 30 15.997 -8.422 1.258 1.00 73.22 H new ATOM 0 HE21 GLN A 30 16.903 -4.939 1.057 1.00 63.03 H new ATOM 0 HE22 GLN A 30 17.117 -4.721 2.797 1.00 63.03 H new ATOM 458 N THR A 31 17.927 -5.657 -3.146 1.00 44.15 N ATOM 459 CA THR A 31 18.646 -4.523 -3.714 1.00 70.12 C ATOM 460 C THR A 31 17.898 -3.939 -4.907 1.00 73.41 C ATOM 461 O THR A 31 18.466 -3.192 -5.703 1.00 40.33 O ATOM 462 CB THR A 31 20.065 -4.923 -4.159 1.00 24.32 C ATOM 463 OG1 THR A 31 20.058 -6.257 -4.680 1.00 52.11 O ATOM 464 CG2 THR A 31 21.042 -4.834 -2.996 1.00 2.50 C ATOM 0 H THR A 31 17.895 -6.480 -3.748 1.00 44.15 H new ATOM 0 HA THR A 31 18.718 -3.770 -2.929 1.00 70.12 H new ATOM 0 HB THR A 31 20.386 -4.231 -4.937 1.00 24.32 H new ATOM 0 HG1 THR A 31 20.964 -6.503 -4.962 1.00 52.11 H new ATOM 0 HG21 THR A 31 22.038 -5.121 -3.334 1.00 2.50 H new ATOM 0 HG22 THR A 31 21.068 -3.811 -2.620 1.00 2.50 H new ATOM 0 HG23 THR A 31 20.722 -5.506 -2.200 1.00 2.50 H new ATOM 472 N TYR A 32 16.620 -4.285 -5.025 1.00 4.43 N ATOM 473 CA TYR A 32 15.795 -3.796 -6.122 1.00 55.33 C ATOM 474 C TYR A 32 14.572 -3.051 -5.594 1.00 72.55 C ATOM 475 O TYR A 32 14.035 -3.385 -4.538 1.00 14.14 O ATOM 476 CB TYR A 32 15.353 -4.958 -7.013 1.00 33.21 C ATOM 477 CG TYR A 32 15.977 -4.938 -8.390 1.00 4.43 C ATOM 478 CD1 TYR A 32 15.417 -4.187 -9.417 1.00 25.53 C ATOM 479 CD2 TYR A 32 17.126 -5.669 -8.664 1.00 5.40 C ATOM 480 CE1 TYR A 32 15.984 -4.166 -10.676 1.00 62.04 C ATOM 481 CE2 TYR A 32 17.701 -5.652 -9.920 1.00 52.02 C ATOM 482 CZ TYR A 32 17.126 -4.899 -10.923 1.00 70.51 C ATOM 483 OH TYR A 32 17.694 -4.881 -12.176 1.00 63.42 O ATOM 0 H TYR A 32 16.134 -4.902 -4.374 1.00 4.43 H new ATOM 0 HA TYR A 32 16.394 -3.102 -6.712 1.00 55.33 H new ATOM 0 HB2 TYR A 32 15.607 -5.898 -6.522 1.00 33.21 H new ATOM 0 HB3 TYR A 32 14.268 -4.934 -7.115 1.00 33.21 H new ATOM 0 HD1 TYR A 32 14.524 -3.610 -9.227 1.00 25.53 H new ATOM 0 HD2 TYR A 32 17.578 -6.261 -7.882 1.00 5.40 H new ATOM 0 HE1 TYR A 32 15.535 -3.578 -11.463 1.00 62.04 H new ATOM 0 HE2 TYR A 32 18.595 -6.225 -10.116 1.00 52.02 H new ATOM 0 HH TYR A 32 18.493 -5.449 -12.181 1.00 63.42 H new ATOM 493 N THR A 33 14.136 -2.040 -6.339 1.00 75.11 N ATOM 494 CA THR A 33 12.977 -1.247 -5.948 1.00 20.11 C ATOM 495 C THR A 33 12.346 -0.563 -7.155 1.00 73.43 C ATOM 496 O THR A 33 13.028 -0.247 -8.129 1.00 71.30 O ATOM 497 CB THR A 33 13.354 -0.178 -4.906 1.00 4.43 C ATOM 498 OG1 THR A 33 14.213 -0.745 -3.910 1.00 43.03 O ATOM 499 CG2 THR A 33 12.110 0.395 -4.243 1.00 25.32 C ATOM 0 H THR A 33 14.568 -1.751 -7.217 1.00 75.11 H new ATOM 0 HA THR A 33 12.257 -1.936 -5.507 1.00 20.11 H new ATOM 0 HB THR A 33 13.877 0.629 -5.420 1.00 4.43 H new ATOM 0 HG1 THR A 33 14.449 -0.058 -3.252 1.00 43.03 H new ATOM 0 HG21 THR A 33 12.402 1.148 -3.511 1.00 25.32 H new ATOM 0 HG22 THR A 33 11.472 0.852 -5.000 1.00 25.32 H new ATOM 0 HG23 THR A 33 11.563 -0.404 -3.743 1.00 25.32 H new ATOM 507 N GLY A 34 11.037 -0.337 -7.085 1.00 4.14 N ATOM 508 CA GLY A 34 10.336 0.309 -8.179 1.00 21.13 C ATOM 509 C GLY A 34 9.023 0.926 -7.741 1.00 55.15 C ATOM 510 O GLY A 34 8.627 1.979 -8.242 1.00 35.22 O ATOM 0 H GLY A 34 10.450 -0.590 -6.290 1.00 4.14 H new ATOM 0 HA2 GLY A 34 10.973 1.083 -8.608 1.00 21.13 H new ATOM 0 HA3 GLY A 34 10.147 -0.421 -8.966 1.00 21.13 H new ATOM 514 N SER A 35 8.344 0.269 -6.806 1.00 40.13 N ATOM 515 CA SER A 35 7.064 0.757 -6.306 1.00 22.13 C ATOM 516 C SER A 35 7.219 1.357 -4.911 1.00 62.44 C ATOM 517 O SER A 35 8.075 0.936 -4.135 1.00 21.45 O ATOM 518 CB SER A 35 6.039 -0.378 -6.274 1.00 31.21 C ATOM 519 OG SER A 35 6.115 -1.168 -7.448 1.00 45.43 O ATOM 0 H SER A 35 8.659 -0.602 -6.380 1.00 40.13 H new ATOM 0 HA SER A 35 6.711 1.537 -6.981 1.00 22.13 H new ATOM 0 HB2 SER A 35 6.213 -1.004 -5.399 1.00 31.21 H new ATOM 0 HB3 SER A 35 5.036 0.037 -6.175 1.00 31.21 H new ATOM 0 HG SER A 35 5.218 -1.276 -7.828 1.00 45.43 H new ATOM 525 N ASN A 36 6.384 2.343 -4.602 1.00 72.02 N ATOM 526 CA ASN A 36 6.427 3.002 -3.302 1.00 44.20 C ATOM 527 C ASN A 36 7.825 3.541 -3.012 1.00 10.01 C ATOM 528 O ASN A 36 8.239 3.633 -1.857 1.00 60.51 O ATOM 529 CB ASN A 36 6.005 2.029 -2.199 1.00 54.43 C ATOM 530 CG ASN A 36 5.048 2.661 -1.206 1.00 43.33 C ATOM 531 OD1 ASN A 36 3.912 2.992 -1.546 1.00 42.21 O ATOM 532 ND2 ASN A 36 5.506 2.832 0.029 1.00 75.03 N ATOM 0 H ASN A 36 5.669 2.703 -5.234 1.00 72.02 H new ATOM 0 HA ASN A 36 5.730 3.840 -3.324 1.00 44.20 H new ATOM 0 HB2 ASN A 36 5.533 1.156 -2.649 1.00 54.43 H new ATOM 0 HB3 ASN A 36 6.891 1.676 -1.671 1.00 54.43 H new ATOM 0 HD21 ASN A 36 4.909 3.253 0.741 1.00 75.03 H new ATOM 0 HD22 ASN A 36 6.455 2.542 0.266 1.00 75.03 H new ATOM 539 N GLY A 37 8.548 3.897 -4.070 1.00 14.22 N ATOM 540 CA GLY A 37 9.890 4.423 -3.908 1.00 4.02 C ATOM 541 C GLY A 37 10.600 4.619 -5.233 1.00 10.11 C ATOM 542 O GLY A 37 10.820 5.749 -5.666 1.00 1.41 O ATOM 0 H GLY A 37 8.228 3.830 -5.036 1.00 14.22 H new ATOM 0 HA2 GLY A 37 9.842 5.376 -3.381 1.00 4.02 H new ATOM 0 HA3 GLY A 37 10.471 3.743 -3.285 1.00 4.02 H new ATOM 546 N GLY A 38 10.961 3.514 -5.879 1.00 11.14 N ATOM 547 CA GLY A 38 11.648 3.592 -7.155 1.00 32.54 C ATOM 548 C GLY A 38 13.113 3.950 -7.004 1.00 12.03 C ATOM 549 O GLY A 38 13.487 5.118 -7.109 1.00 30.44 O ATOM 0 H GLY A 38 10.790 2.567 -5.541 1.00 11.14 H new ATOM 0 HA2 GLY A 38 11.562 2.635 -7.669 1.00 32.54 H new ATOM 0 HA3 GLY A 38 11.158 4.336 -7.783 1.00 32.54 H new ATOM 553 N ALA A 39 13.944 2.943 -6.755 1.00 1.40 N ATOM 554 CA ALA A 39 15.376 3.158 -6.589 1.00 43.45 C ATOM 555 C ALA A 39 16.100 1.845 -6.313 1.00 43.12 C ATOM 556 O ALA A 39 16.420 1.531 -5.167 1.00 30.24 O ATOM 557 CB ALA A 39 15.634 4.152 -5.467 1.00 4.15 C ATOM 0 H ALA A 39 13.650 1.971 -6.664 1.00 1.40 H new ATOM 0 HA ALA A 39 15.767 3.569 -7.520 1.00 43.45 H new ATOM 0 HB1 ALA A 39 16.708 4.303 -5.354 1.00 4.15 H new ATOM 0 HB2 ALA A 39 15.157 5.103 -5.706 1.00 4.15 H new ATOM 0 HB3 ALA A 39 15.222 3.764 -4.535 1.00 4.15 H new ATOM 563 N ASP A 40 16.355 1.082 -7.370 1.00 62.11 N ATOM 564 CA ASP A 40 17.042 -0.198 -7.241 1.00 61.02 C ATOM 565 C ASP A 40 18.537 0.008 -7.020 1.00 65.41 C ATOM 566 O ASP A 40 19.240 0.523 -7.891 1.00 73.11 O ATOM 567 CB ASP A 40 16.811 -1.053 -8.488 1.00 42.13 C ATOM 568 CG ASP A 40 17.362 -0.406 -9.744 1.00 1.12 C ATOM 569 OD1 ASP A 40 16.922 0.715 -10.077 1.00 32.44 O ATOM 570 OD2 ASP A 40 18.234 -1.020 -10.393 1.00 42.32 O ATOM 0 H ASP A 40 16.096 1.327 -8.326 1.00 62.11 H new ATOM 0 HA ASP A 40 16.633 -0.716 -6.374 1.00 61.02 H new ATOM 0 HB2 ASP A 40 17.280 -2.027 -8.349 1.00 42.13 H new ATOM 0 HB3 ASP A 40 15.742 -1.228 -8.612 1.00 42.13 H new ATOM 575 N LEU A 41 19.018 -0.397 -5.850 1.00 23.12 N ATOM 576 CA LEU A 41 20.431 -0.257 -5.513 1.00 53.40 C ATOM 577 C LEU A 41 20.793 -1.122 -4.310 1.00 74.34 C ATOM 578 O LEU A 41 20.036 -2.013 -3.925 1.00 23.13 O ATOM 579 CB LEU A 41 20.762 1.208 -5.220 1.00 21.31 C ATOM 580 CG LEU A 41 22.092 1.719 -5.775 1.00 22.14 C ATOM 581 CD1 LEU A 41 21.890 2.365 -7.136 1.00 55.33 C ATOM 582 CD2 LEU A 41 22.732 2.702 -4.805 1.00 54.43 C ATOM 0 H LEU A 41 18.451 -0.825 -5.118 1.00 23.12 H new ATOM 0 HA LEU A 41 21.018 -0.593 -6.368 1.00 53.40 H new ATOM 0 HB2 LEU A 41 19.961 1.828 -5.622 1.00 21.31 H new ATOM 0 HB3 LEU A 41 20.763 1.350 -4.139 1.00 21.31 H new ATOM 0 HG LEU A 41 22.764 0.869 -5.896 1.00 22.14 H new ATOM 0 HD11 LEU A 41 22.848 2.723 -7.515 1.00 55.33 H new ATOM 0 HD12 LEU A 41 21.476 1.632 -7.829 1.00 55.33 H new ATOM 0 HD13 LEU A 41 21.201 3.204 -7.042 1.00 55.33 H new ATOM 0 HD21 LEU A 41 23.678 3.055 -5.216 1.00 54.43 H new ATOM 0 HD22 LEU A 41 22.064 3.549 -4.652 1.00 54.43 H new ATOM 0 HD23 LEU A 41 22.914 2.206 -3.851 1.00 54.43 H new ATOM 594 N MET A 42 21.953 -0.852 -3.721 1.00 72.32 N ATOM 595 CA MET A 42 22.413 -1.605 -2.560 1.00 10.32 C ATOM 596 C MET A 42 22.433 -0.724 -1.314 1.00 51.05 C ATOM 597 O MET A 42 23.130 0.289 -1.270 1.00 33.00 O ATOM 598 CB MET A 42 23.808 -2.177 -2.816 1.00 64.03 C ATOM 599 CG MET A 42 23.930 -2.911 -4.142 1.00 50.41 C ATOM 600 SD MET A 42 24.856 -4.451 -4.001 1.00 70.30 S ATOM 601 CE MET A 42 26.530 -3.865 -4.251 1.00 54.55 C ATOM 0 H MET A 42 22.591 -0.118 -4.028 1.00 72.32 H new ATOM 0 HA MET A 42 21.717 -2.427 -2.392 1.00 10.32 H new ATOM 0 HB2 MET A 42 24.535 -1.365 -2.791 1.00 64.03 H new ATOM 0 HB3 MET A 42 24.066 -2.860 -2.007 1.00 64.03 H new ATOM 0 HG2 MET A 42 22.933 -3.125 -4.527 1.00 50.41 H new ATOM 0 HG3 MET A 42 24.420 -2.262 -4.868 1.00 50.41 H new ATOM 0 HE1 MET A 42 27.222 -4.705 -4.192 1.00 54.55 H new ATOM 0 HE2 MET A 42 26.609 -3.398 -5.233 1.00 54.55 H new ATOM 0 HE3 MET A 42 26.779 -3.135 -3.481 1.00 54.55 H new ATOM 611 N GLY A 43 21.663 -1.117 -0.304 1.00 60.32 N ATOM 612 CA GLY A 43 21.607 -0.352 0.928 1.00 42.15 C ATOM 613 C GLY A 43 20.975 -1.129 2.065 1.00 73.11 C ATOM 614 O GLY A 43 21.639 -1.512 3.029 1.00 53.55 O ATOM 0 H GLY A 43 21.077 -1.952 -0.317 1.00 60.32 H new ATOM 0 HA2 GLY A 43 22.616 -0.054 1.213 1.00 42.15 H new ATOM 0 HA3 GLY A 43 21.040 0.563 0.758 1.00 42.15 H new ATOM 618 N PRO A 44 19.660 -1.372 1.961 1.00 34.14 N ATOM 619 CA PRO A 44 18.908 -2.110 2.981 1.00 2.33 C ATOM 620 C PRO A 44 19.278 -3.589 3.017 1.00 2.45 C ATOM 621 O PRO A 44 19.059 -4.269 4.019 1.00 13.43 O ATOM 622 CB PRO A 44 17.452 -1.933 2.545 1.00 35.43 C ATOM 623 CG PRO A 44 17.522 -1.693 1.077 1.00 70.53 C ATOM 624 CD PRO A 44 18.805 -0.946 0.840 1.00 1.14 C ATOM 0 HA PRO A 44 19.114 -1.741 3.986 1.00 2.33 H new ATOM 0 HB2 PRO A 44 16.860 -2.819 2.773 1.00 35.43 H new ATOM 0 HB3 PRO A 44 16.983 -1.095 3.061 1.00 35.43 H new ATOM 0 HG2 PRO A 44 17.511 -2.634 0.527 1.00 70.53 H new ATOM 0 HG3 PRO A 44 16.664 -1.114 0.735 1.00 70.53 H new ATOM 0 HD2 PRO A 44 19.247 -1.202 -0.123 1.00 1.14 H new ATOM 0 HD3 PRO A 44 18.648 0.133 0.842 1.00 1.14 H new ATOM 632 N ALA A 45 19.841 -4.080 1.918 1.00 21.04 N ATOM 633 CA ALA A 45 20.244 -5.478 1.826 1.00 12.11 C ATOM 634 C ALA A 45 21.521 -5.735 2.619 1.00 53.10 C ATOM 635 O ALA A 45 21.604 -6.693 3.388 1.00 14.42 O ATOM 636 CB ALA A 45 20.435 -5.877 0.370 1.00 12.13 C ATOM 0 H ALA A 45 20.028 -3.531 1.079 1.00 21.04 H new ATOM 0 HA ALA A 45 19.451 -6.088 2.258 1.00 12.11 H new ATOM 0 HB1 ALA A 45 20.736 -6.923 0.316 1.00 12.13 H new ATOM 0 HB2 ALA A 45 19.498 -5.740 -0.171 1.00 12.13 H new ATOM 0 HB3 ALA A 45 21.208 -5.254 -0.080 1.00 12.13 H new ATOM 642 N PHE A 46 22.515 -4.874 2.426 1.00 32.21 N ATOM 643 CA PHE A 46 23.789 -5.009 3.122 1.00 31.44 C ATOM 644 C PHE A 46 23.632 -4.702 4.609 1.00 73.42 C ATOM 645 O PHE A 46 24.395 -5.194 5.439 1.00 4.01 O ATOM 646 CB PHE A 46 24.833 -4.077 2.505 1.00 0.41 C ATOM 647 CG PHE A 46 26.246 -4.433 2.870 1.00 33.11 C ATOM 648 CD1 PHE A 46 27.055 -3.523 3.530 1.00 4.03 C ATOM 649 CD2 PHE A 46 26.764 -5.678 2.552 1.00 22.15 C ATOM 650 CE1 PHE A 46 28.356 -3.848 3.868 1.00 13.11 C ATOM 651 CE2 PHE A 46 28.063 -6.009 2.888 1.00 45.20 C ATOM 652 CZ PHE A 46 28.861 -5.092 3.545 1.00 34.24 C ATOM 0 H PHE A 46 22.463 -4.076 1.793 1.00 32.21 H new ATOM 0 HA PHE A 46 24.125 -6.040 3.015 1.00 31.44 H new ATOM 0 HB2 PHE A 46 24.730 -4.098 1.420 1.00 0.41 H new ATOM 0 HB3 PHE A 46 24.630 -3.055 2.825 1.00 0.41 H new ATOM 0 HD1 PHE A 46 26.665 -2.548 3.784 1.00 4.03 H new ATOM 0 HD2 PHE A 46 26.146 -6.398 2.036 1.00 22.15 H new ATOM 0 HE1 PHE A 46 28.976 -3.130 4.384 1.00 13.11 H new ATOM 0 HE2 PHE A 46 28.454 -6.984 2.637 1.00 45.20 H new ATOM 0 HZ PHE A 46 29.877 -5.348 3.805 1.00 34.24 H new ATOM 662 N ALA A 47 22.636 -3.886 4.936 1.00 12.50 N ATOM 663 CA ALA A 47 22.377 -3.514 6.321 1.00 13.44 C ATOM 664 C ALA A 47 21.746 -4.669 7.091 1.00 24.14 C ATOM 665 O ALA A 47 21.916 -4.785 8.305 1.00 43.33 O ATOM 666 CB ALA A 47 21.479 -2.286 6.379 1.00 23.33 C ATOM 0 H ALA A 47 21.995 -3.470 4.260 1.00 12.50 H new ATOM 0 HA ALA A 47 23.331 -3.276 6.791 1.00 13.44 H new ATOM 0 HB1 ALA A 47 21.294 -2.019 7.420 1.00 23.33 H new ATOM 0 HB2 ALA A 47 21.968 -1.454 5.873 1.00 23.33 H new ATOM 0 HB3 ALA A 47 20.532 -2.504 5.886 1.00 23.33 H new ATOM 672 N ALA A 48 21.018 -5.522 6.378 1.00 12.43 N ATOM 673 CA ALA A 48 20.363 -6.669 6.995 1.00 42.31 C ATOM 674 C ALA A 48 21.209 -7.929 6.846 1.00 2.35 C ATOM 675 O ALA A 48 21.072 -8.875 7.620 1.00 33.23 O ATOM 676 CB ALA A 48 18.985 -6.881 6.385 1.00 4.12 C ATOM 0 H ALA A 48 20.867 -5.440 5.373 1.00 12.43 H new ATOM 0 HA ALA A 48 20.249 -6.463 8.059 1.00 42.31 H new ATOM 0 HB1 ALA A 48 18.507 -7.741 6.855 1.00 4.12 H new ATOM 0 HB2 ALA A 48 18.375 -5.993 6.548 1.00 4.12 H new ATOM 0 HB3 ALA A 48 19.085 -7.062 5.315 1.00 4.12 H new ATOM 682 N GLY A 49 22.085 -7.934 5.846 1.00 53.13 N ATOM 683 CA GLY A 49 22.939 -9.084 5.614 1.00 45.42 C ATOM 684 C GLY A 49 22.416 -9.983 4.512 1.00 54.44 C ATOM 685 O GLY A 49 22.839 -11.132 4.384 1.00 72.30 O ATOM 0 H GLY A 49 22.218 -7.162 5.193 1.00 53.13 H new ATOM 0 HA2 GLY A 49 23.941 -8.742 5.354 1.00 45.42 H new ATOM 0 HA3 GLY A 49 23.027 -9.659 6.536 1.00 45.42 H new ATOM 689 N LEU A 50 21.491 -9.460 3.714 1.00 60.04 N ATOM 690 CA LEU A 50 20.907 -10.224 2.617 1.00 53.13 C ATOM 691 C LEU A 50 21.940 -10.489 1.527 1.00 62.04 C ATOM 692 O LEU A 50 22.378 -9.569 0.835 1.00 34.13 O ATOM 693 CB LEU A 50 19.709 -9.475 2.029 1.00 62.32 C ATOM 694 CG LEU A 50 18.380 -9.654 2.763 1.00 12.20 C ATOM 695 CD1 LEU A 50 17.944 -11.110 2.731 1.00 73.43 C ATOM 696 CD2 LEU A 50 18.493 -9.161 4.198 1.00 12.32 C ATOM 0 H LEU A 50 21.130 -8.511 3.806 1.00 60.04 H new ATOM 0 HA LEU A 50 20.570 -11.182 3.013 1.00 53.13 H new ATOM 0 HB2 LEU A 50 19.947 -8.412 2.004 1.00 62.32 H new ATOM 0 HB3 LEU A 50 19.577 -9.796 0.996 1.00 62.32 H new ATOM 0 HG LEU A 50 17.623 -9.058 2.253 1.00 12.20 H new ATOM 0 HD11 LEU A 50 16.996 -11.218 3.258 1.00 73.43 H new ATOM 0 HD12 LEU A 50 17.822 -11.431 1.696 1.00 73.43 H new ATOM 0 HD13 LEU A 50 18.701 -11.727 3.215 1.00 73.43 H new ATOM 0 HD21 LEU A 50 17.538 -9.296 4.705 1.00 12.32 H new ATOM 0 HD22 LEU A 50 19.264 -9.729 4.718 1.00 12.32 H new ATOM 0 HD23 LEU A 50 18.758 -8.104 4.200 1.00 12.32 H new ATOM 708 N ARG A 51 22.324 -11.752 1.377 1.00 25.54 N ATOM 709 CA ARG A 51 23.306 -12.139 0.371 1.00 54.24 C ATOM 710 C ARG A 51 22.954 -13.493 -0.239 1.00 45.22 C ATOM 711 O ARG A 51 22.229 -14.286 0.361 1.00 62.45 O ATOM 712 CB ARG A 51 24.705 -12.192 0.986 1.00 62.13 C ATOM 713 CG ARG A 51 25.623 -11.078 0.509 1.00 60.55 C ATOM 714 CD ARG A 51 26.812 -11.629 -0.263 1.00 40.24 C ATOM 715 NE ARG A 51 27.486 -10.593 -1.042 1.00 22.14 N ATOM 716 CZ ARG A 51 28.721 -10.716 -1.515 1.00 23.42 C ATOM 717 NH1 ARG A 51 29.413 -11.825 -1.290 1.00 42.14 N ATOM 718 NH2 ARG A 51 29.267 -9.730 -2.215 1.00 14.44 N ATOM 0 H ARG A 51 21.970 -12.526 1.940 1.00 25.54 H new ATOM 0 HA ARG A 51 23.294 -11.389 -0.420 1.00 54.24 H new ATOM 0 HB2 ARG A 51 24.618 -12.140 2.071 1.00 62.13 H new ATOM 0 HB3 ARG A 51 25.161 -13.153 0.749 1.00 62.13 H new ATOM 0 HG2 ARG A 51 25.063 -10.390 -0.125 1.00 60.55 H new ATOM 0 HG3 ARG A 51 25.978 -10.505 1.366 1.00 60.55 H new ATOM 0 HD2 ARG A 51 27.520 -12.077 0.434 1.00 40.24 H new ATOM 0 HD3 ARG A 51 26.475 -12.423 -0.930 1.00 40.24 H new ATOM 0 HE ARG A 51 26.980 -9.728 -1.233 1.00 22.14 H new ATOM 0 HH11 ARG A 51 28.997 -12.586 -0.753 1.00 42.14 H new ATOM 0 HH12 ARG A 51 30.361 -11.917 -1.654 1.00 42.14 H new ATOM 0 HH21 ARG A 51 28.738 -8.876 -2.391 1.00 14.44 H new ATOM 0 HH22 ARG A 51 30.216 -9.826 -2.577 1.00 14.44 H new ATOM 732 N VAL A 52 23.474 -13.750 -1.436 1.00 14.33 N ATOM 733 CA VAL A 52 23.216 -15.007 -2.127 1.00 32.41 C ATOM 734 C VAL A 52 23.607 -16.200 -1.262 1.00 24.11 C ATOM 735 O VAL A 52 24.711 -16.253 -0.721 1.00 43.44 O ATOM 736 CB VAL A 52 23.981 -15.082 -3.461 1.00 44.43 C ATOM 737 CG1 VAL A 52 23.552 -13.953 -4.387 1.00 21.41 C ATOM 738 CG2 VAL A 52 25.482 -15.040 -3.217 1.00 43.10 C ATOM 0 H VAL A 52 24.076 -13.104 -1.946 1.00 14.33 H new ATOM 0 HA VAL A 52 22.145 -15.043 -2.328 1.00 32.41 H new ATOM 0 HB VAL A 52 23.740 -16.029 -3.945 1.00 44.43 H new ATOM 0 HG11 VAL A 52 24.103 -14.022 -5.325 1.00 21.41 H new ATOM 0 HG12 VAL A 52 22.484 -14.033 -4.587 1.00 21.41 H new ATOM 0 HG13 VAL A 52 23.762 -12.994 -3.913 1.00 21.41 H new ATOM 0 HG21 VAL A 52 26.007 -15.094 -4.171 1.00 43.10 H new ATOM 0 HG22 VAL A 52 25.743 -14.110 -2.711 1.00 43.10 H new ATOM 0 HG23 VAL A 52 25.773 -15.886 -2.594 1.00 43.10 H new ATOM 748 N GLY A 53 22.694 -17.158 -1.136 1.00 31.14 N ATOM 749 CA GLY A 53 22.963 -18.338 -0.335 1.00 75.41 C ATOM 750 C GLY A 53 22.019 -18.466 0.845 1.00 44.23 C ATOM 751 O GLY A 53 21.556 -19.561 1.162 1.00 74.21 O ATOM 0 H GLY A 53 21.773 -17.138 -1.574 1.00 31.14 H new ATOM 0 HA2 GLY A 53 22.879 -19.226 -0.962 1.00 75.41 H new ATOM 0 HA3 GLY A 53 23.990 -18.301 0.028 1.00 75.41 H new ATOM 755 N ASP A 54 21.736 -17.344 1.497 1.00 2.13 N ATOM 756 CA ASP A 54 20.843 -17.335 2.650 1.00 55.53 C ATOM 757 C ASP A 54 19.419 -17.693 2.236 1.00 15.40 C ATOM 758 O ASP A 54 18.983 -17.368 1.132 1.00 65.25 O ATOM 759 CB ASP A 54 20.861 -15.962 3.325 1.00 31.40 C ATOM 760 CG ASP A 54 21.994 -15.823 4.322 1.00 21.15 C ATOM 761 OD1 ASP A 54 21.784 -15.182 5.374 1.00 43.24 O ATOM 762 OD2 ASP A 54 23.090 -16.356 4.052 1.00 24.15 O ATOM 0 H ASP A 54 22.112 -16.429 1.247 1.00 2.13 H new ATOM 0 HA ASP A 54 21.196 -18.084 3.359 1.00 55.53 H new ATOM 0 HB2 ASP A 54 20.953 -15.187 2.564 1.00 31.40 H new ATOM 0 HB3 ASP A 54 19.911 -15.798 3.834 1.00 31.40 H new ATOM 767 N GLN A 55 18.699 -18.364 3.130 1.00 42.14 N ATOM 768 CA GLN A 55 17.325 -18.767 2.856 1.00 61.41 C ATOM 769 C GLN A 55 16.338 -17.733 3.387 1.00 70.21 C ATOM 770 O GLN A 55 16.407 -17.334 4.550 1.00 13.21 O ATOM 771 CB GLN A 55 17.038 -20.133 3.482 1.00 12.04 C ATOM 772 CG GLN A 55 18.140 -21.153 3.250 1.00 63.34 C ATOM 773 CD GLN A 55 17.754 -22.545 3.710 1.00 22.12 C ATOM 774 OE1 GLN A 55 18.498 -23.198 4.443 1.00 1.41 O ATOM 775 NE2 GLN A 55 16.586 -23.008 3.282 1.00 55.30 N ATOM 0 H GLN A 55 19.044 -18.640 4.049 1.00 42.14 H new ATOM 0 HA GLN A 55 17.202 -18.837 1.775 1.00 61.41 H new ATOM 0 HB2 GLN A 55 16.890 -20.008 4.555 1.00 12.04 H new ATOM 0 HB3 GLN A 55 16.104 -20.521 3.075 1.00 12.04 H new ATOM 0 HG2 GLN A 55 18.386 -21.181 2.189 1.00 63.34 H new ATOM 0 HG3 GLN A 55 19.040 -20.837 3.778 1.00 63.34 H new ATOM 0 HE21 GLN A 55 16.001 -22.433 2.676 1.00 55.30 H new ATOM 0 HE22 GLN A 55 16.274 -23.939 3.559 1.00 55.30 H new ATOM 784 N LEU A 56 15.421 -17.303 2.528 1.00 54.10 N ATOM 785 CA LEU A 56 14.418 -16.314 2.910 1.00 25.15 C ATOM 786 C LEU A 56 13.047 -16.963 3.072 1.00 43.44 C ATOM 787 O LEU A 56 12.475 -17.477 2.110 1.00 2.34 O ATOM 788 CB LEU A 56 14.348 -15.199 1.865 1.00 24.43 C ATOM 789 CG LEU A 56 13.282 -14.128 2.097 1.00 61.21 C ATOM 790 CD1 LEU A 56 13.821 -12.752 1.737 1.00 32.21 C ATOM 791 CD2 LEU A 56 12.029 -14.440 1.291 1.00 3.23 C ATOM 0 H LEU A 56 15.351 -17.623 1.562 1.00 54.10 H new ATOM 0 HA LEU A 56 14.712 -15.886 3.869 1.00 25.15 H new ATOM 0 HB2 LEU A 56 15.321 -14.710 1.818 1.00 24.43 H new ATOM 0 HB3 LEU A 56 14.172 -15.653 0.890 1.00 24.43 H new ATOM 0 HG LEU A 56 13.019 -14.127 3.155 1.00 61.21 H new ATOM 0 HD11 LEU A 56 13.049 -12.002 1.908 1.00 32.21 H new ATOM 0 HD12 LEU A 56 14.689 -12.527 2.357 1.00 32.21 H new ATOM 0 HD13 LEU A 56 14.113 -12.739 0.687 1.00 32.21 H new ATOM 0 HD21 LEU A 56 11.281 -13.667 1.468 1.00 3.23 H new ATOM 0 HD22 LEU A 56 12.277 -14.469 0.230 1.00 3.23 H new ATOM 0 HD23 LEU A 56 11.631 -15.408 1.597 1.00 3.23 H new ATOM 803 N VAL A 57 12.524 -16.933 4.293 1.00 2.13 N ATOM 804 CA VAL A 57 11.218 -17.515 4.580 1.00 4.21 C ATOM 805 C VAL A 57 10.186 -16.432 4.872 1.00 3.54 C ATOM 806 O VAL A 57 9.146 -16.358 4.218 1.00 61.21 O ATOM 807 CB VAL A 57 11.285 -18.481 5.778 1.00 64.14 C ATOM 808 CG1 VAL A 57 9.907 -19.047 6.085 1.00 3.33 C ATOM 809 CG2 VAL A 57 12.281 -19.599 5.505 1.00 53.22 C ATOM 0 H VAL A 57 12.984 -16.512 5.100 1.00 2.13 H new ATOM 0 HA VAL A 57 10.917 -18.070 3.692 1.00 4.21 H new ATOM 0 HB VAL A 57 11.626 -17.926 6.652 1.00 64.14 H new ATOM 0 HG11 VAL A 57 9.974 -19.727 6.934 1.00 3.33 H new ATOM 0 HG12 VAL A 57 9.224 -18.232 6.326 1.00 3.33 H new ATOM 0 HG13 VAL A 57 9.534 -19.588 5.215 1.00 3.33 H new ATOM 0 HG21 VAL A 57 12.316 -20.272 6.361 1.00 53.22 H new ATOM 0 HG22 VAL A 57 11.971 -20.154 4.619 1.00 53.22 H new ATOM 0 HG23 VAL A 57 13.270 -19.172 5.338 1.00 53.22 H new ATOM 819 N ARG A 58 10.481 -15.592 5.859 1.00 3.32 N ATOM 820 CA ARG A 58 9.578 -14.512 6.239 1.00 4.10 C ATOM 821 C ARG A 58 8.222 -15.063 6.668 1.00 74.13 C ATOM 822 O ARG A 58 7.195 -14.400 6.519 1.00 41.21 O ATOM 823 CB ARG A 58 9.399 -13.535 5.075 1.00 24.04 C ATOM 824 CG ARG A 58 10.693 -13.213 4.346 1.00 4.22 C ATOM 825 CD ARG A 58 10.882 -11.713 4.183 1.00 41.32 C ATOM 826 NE ARG A 58 10.289 -11.218 2.943 1.00 21.31 N ATOM 827 CZ ARG A 58 10.456 -9.980 2.491 1.00 21.42 C ATOM 828 NH1 ARG A 58 11.195 -9.116 3.173 1.00 33.04 N ATOM 829 NH2 ARG A 58 9.884 -9.605 1.354 1.00 20.03 N ATOM 0 H ARG A 58 11.338 -15.639 6.410 1.00 3.32 H new ATOM 0 HA ARG A 58 10.019 -13.983 7.084 1.00 4.10 H new ATOM 0 HB2 ARG A 58 8.687 -13.955 4.365 1.00 24.04 H new ATOM 0 HB3 ARG A 58 8.964 -12.609 5.452 1.00 24.04 H new ATOM 0 HG2 ARG A 58 11.536 -13.629 4.898 1.00 4.22 H new ATOM 0 HG3 ARG A 58 10.688 -13.689 3.365 1.00 4.22 H new ATOM 0 HD2 ARG A 58 10.432 -11.197 5.031 1.00 41.32 H new ATOM 0 HD3 ARG A 58 11.946 -11.478 4.195 1.00 41.32 H new ATOM 0 HE ARG A 58 9.715 -11.858 2.394 1.00 21.31 H new ATOM 0 HH11 ARG A 58 11.637 -9.401 4.047 1.00 33.04 H new ATOM 0 HH12 ARG A 58 11.322 -8.166 2.824 1.00 33.04 H new ATOM 0 HH21 ARG A 58 9.316 -10.267 0.826 1.00 20.03 H new ATOM 0 HH22 ARG A 58 10.013 -8.654 1.008 1.00 20.03 H new ATOM 843 N PHE A 59 8.225 -16.281 7.200 1.00 51.30 N ATOM 844 CA PHE A 59 6.995 -16.922 7.649 1.00 74.11 C ATOM 845 C PHE A 59 7.235 -17.730 8.921 1.00 63.34 C ATOM 846 O PHE A 59 8.317 -18.282 9.123 1.00 54.12 O ATOM 847 CB PHE A 59 6.438 -17.831 6.551 1.00 23.10 C ATOM 848 CG PHE A 59 5.136 -18.485 6.917 1.00 44.14 C ATOM 849 CD1 PHE A 59 3.930 -17.882 6.598 1.00 30.45 C ATOM 850 CD2 PHE A 59 5.119 -19.702 7.579 1.00 41.12 C ATOM 851 CE1 PHE A 59 2.730 -18.482 6.933 1.00 1.51 C ATOM 852 CE2 PHE A 59 3.923 -20.306 7.916 1.00 55.14 C ATOM 853 CZ PHE A 59 2.727 -19.694 7.593 1.00 34.54 C ATOM 0 H PHE A 59 9.066 -16.844 7.331 1.00 51.30 H new ATOM 0 HA PHE A 59 6.267 -16.141 7.868 1.00 74.11 H new ATOM 0 HB2 PHE A 59 6.299 -17.246 5.642 1.00 23.10 H new ATOM 0 HB3 PHE A 59 7.172 -18.604 6.323 1.00 23.10 H new ATOM 0 HD1 PHE A 59 3.927 -16.933 6.082 1.00 30.45 H new ATOM 0 HD2 PHE A 59 6.051 -20.184 7.834 1.00 41.12 H new ATOM 0 HE1 PHE A 59 1.796 -18.003 6.678 1.00 1.51 H new ATOM 0 HE2 PHE A 59 3.923 -21.255 8.431 1.00 55.14 H new ATOM 0 HZ PHE A 59 1.791 -20.164 7.857 1.00 34.54 H new ATOM 863 N ALA A 60 6.219 -17.795 9.775 1.00 42.22 N ATOM 864 CA ALA A 60 6.319 -18.536 11.026 1.00 72.01 C ATOM 865 C ALA A 60 6.238 -20.039 10.781 1.00 31.05 C ATOM 866 O ALA A 60 5.165 -20.577 10.512 1.00 71.03 O ATOM 867 CB ALA A 60 5.226 -18.096 11.988 1.00 34.24 C ATOM 0 H ALA A 60 5.317 -17.343 9.623 1.00 42.22 H new ATOM 0 HA ALA A 60 7.289 -18.319 11.472 1.00 72.01 H new ATOM 0 HB1 ALA A 60 5.312 -18.657 12.918 1.00 34.24 H new ATOM 0 HB2 ALA A 60 5.331 -17.031 12.196 1.00 34.24 H new ATOM 0 HB3 ALA A 60 4.250 -18.284 11.540 1.00 34.24 H new ATOM 873 N GLY A 61 7.381 -20.712 10.877 1.00 33.10 N ATOM 874 CA GLY A 61 7.417 -22.147 10.662 1.00 13.15 C ATOM 875 C GLY A 61 8.582 -22.574 9.792 1.00 2.05 C ATOM 876 O GLY A 61 8.793 -23.766 9.566 1.00 54.34 O ATOM 0 H GLY A 61 8.282 -20.289 11.100 1.00 33.10 H new ATOM 0 HA2 GLY A 61 7.482 -22.654 11.625 1.00 13.15 H new ATOM 0 HA3 GLY A 61 6.484 -22.465 10.196 1.00 13.15 H new ATOM 880 N TYR A 62 9.341 -21.600 9.303 1.00 54.34 N ATOM 881 CA TYR A 62 10.489 -21.881 8.449 1.00 53.32 C ATOM 882 C TYR A 62 10.058 -22.609 7.179 1.00 23.44 C ATOM 883 O TYR A 62 10.751 -23.507 6.698 1.00 12.04 O ATOM 884 CB TYR A 62 11.521 -22.718 9.206 1.00 71.12 C ATOM 885 CG TYR A 62 11.668 -22.329 10.660 1.00 74.25 C ATOM 886 CD1 TYR A 62 11.883 -21.006 11.027 1.00 63.45 C ATOM 887 CD2 TYR A 62 11.592 -23.284 11.666 1.00 72.01 C ATOM 888 CE1 TYR A 62 12.019 -20.646 12.353 1.00 33.34 C ATOM 889 CE2 TYR A 62 11.725 -22.933 12.995 1.00 15.22 C ATOM 890 CZ TYR A 62 11.938 -21.613 13.334 1.00 41.10 C ATOM 891 OH TYR A 62 12.072 -21.259 14.657 1.00 22.20 O ATOM 0 H TYR A 62 9.182 -20.609 9.483 1.00 54.34 H new ATOM 0 HA TYR A 62 10.940 -20.930 8.165 1.00 53.32 H new ATOM 0 HB2 TYR A 62 11.238 -23.769 9.147 1.00 71.12 H new ATOM 0 HB3 TYR A 62 12.488 -22.620 8.713 1.00 71.12 H new ATOM 0 HD1 TYR A 62 11.945 -20.246 10.262 1.00 63.45 H new ATOM 0 HD2 TYR A 62 11.426 -24.319 11.404 1.00 72.01 H new ATOM 0 HE1 TYR A 62 12.188 -19.613 12.621 1.00 33.34 H new ATOM 0 HE2 TYR A 62 11.663 -23.688 13.765 1.00 15.22 H new ATOM 0 HH TYR A 62 11.989 -22.057 15.219 1.00 22.20 H new ATOM 901 N THR A 63 8.909 -22.216 6.640 1.00 54.11 N ATOM 902 CA THR A 63 8.384 -22.830 5.427 1.00 33.20 C ATOM 903 C THR A 63 8.222 -21.800 4.315 1.00 72.42 C ATOM 904 O THR A 63 7.995 -20.619 4.577 1.00 64.00 O ATOM 905 CB THR A 63 7.025 -23.509 5.684 1.00 63.51 C ATOM 906 OG1 THR A 63 6.426 -23.892 4.441 1.00 52.51 O ATOM 907 CG2 THR A 63 6.089 -22.578 6.439 1.00 30.43 C ATOM 0 H THR A 63 8.324 -21.475 7.025 1.00 54.11 H new ATOM 0 HA THR A 63 9.106 -23.585 5.117 1.00 33.20 H new ATOM 0 HB THR A 63 7.197 -24.397 6.293 1.00 63.51 H new ATOM 0 HG1 THR A 63 5.564 -24.324 4.613 1.00 52.51 H new ATOM 0 HG21 THR A 63 5.136 -23.079 6.609 1.00 30.43 H new ATOM 0 HG22 THR A 63 6.535 -22.312 7.397 1.00 30.43 H new ATOM 0 HG23 THR A 63 5.924 -21.674 5.853 1.00 30.43 H new ATOM 915 N VAL A 64 8.339 -22.256 3.071 1.00 14.44 N ATOM 916 CA VAL A 64 8.203 -21.374 1.918 1.00 3.54 C ATOM 917 C VAL A 64 7.522 -22.088 0.757 1.00 64.34 C ATOM 918 O VAL A 64 7.568 -23.315 0.654 1.00 12.35 O ATOM 919 CB VAL A 64 9.573 -20.847 1.451 1.00 40.31 C ATOM 920 CG1 VAL A 64 9.397 -19.718 0.446 1.00 32.42 C ATOM 921 CG2 VAL A 64 10.401 -20.387 2.641 1.00 21.13 C ATOM 0 H VAL A 64 8.528 -23.231 2.837 1.00 14.44 H new ATOM 0 HA VAL A 64 7.587 -20.532 2.234 1.00 3.54 H new ATOM 0 HB VAL A 64 10.106 -21.660 0.959 1.00 40.31 H new ATOM 0 HG11 VAL A 64 10.376 -19.359 0.128 1.00 32.42 H new ATOM 0 HG12 VAL A 64 8.846 -20.084 -0.420 1.00 32.42 H new ATOM 0 HG13 VAL A 64 8.844 -18.901 0.910 1.00 32.42 H new ATOM 0 HG21 VAL A 64 11.366 -20.018 2.292 1.00 21.13 H new ATOM 0 HG22 VAL A 64 9.874 -19.589 3.164 1.00 21.13 H new ATOM 0 HG23 VAL A 64 10.557 -21.224 3.321 1.00 21.13 H new ATOM 931 N THR A 65 6.891 -21.313 -0.120 1.00 33.24 N ATOM 932 CA THR A 65 6.199 -21.871 -1.275 1.00 24.43 C ATOM 933 C THR A 65 7.026 -21.704 -2.544 1.00 41.44 C ATOM 934 O THR A 65 7.526 -22.679 -3.103 1.00 24.20 O ATOM 935 CB THR A 65 4.824 -21.209 -1.480 1.00 72.32 C ATOM 936 OG1 THR A 65 4.648 -20.144 -0.540 1.00 13.20 O ATOM 937 CG2 THR A 65 3.704 -22.226 -1.318 1.00 21.24 C ATOM 0 H THR A 65 6.845 -20.296 -0.052 1.00 33.24 H new ATOM 0 HA THR A 65 6.056 -22.933 -1.075 1.00 24.43 H new ATOM 0 HB THR A 65 4.786 -20.809 -2.493 1.00 72.32 H new ATOM 0 HG1 THR A 65 3.719 -19.833 -0.569 1.00 13.20 H new ATOM 0 HG21 THR A 65 2.742 -21.735 -1.467 1.00 21.24 H new ATOM 0 HG22 THR A 65 3.824 -23.020 -2.055 1.00 21.24 H new ATOM 0 HG23 THR A 65 3.742 -22.652 -0.316 1.00 21.24 H new ATOM 945 N GLU A 66 7.166 -20.460 -2.994 1.00 71.52 N ATOM 946 CA GLU A 66 7.933 -20.166 -4.199 1.00 31.50 C ATOM 947 C GLU A 66 8.045 -18.661 -4.419 1.00 1.44 C ATOM 948 O GLU A 66 7.568 -17.866 -3.607 1.00 25.01 O ATOM 949 CB GLU A 66 7.282 -20.824 -5.418 1.00 12.42 C ATOM 950 CG GLU A 66 5.900 -20.278 -5.738 1.00 45.13 C ATOM 951 CD GLU A 66 5.673 -20.103 -7.227 1.00 62.33 C ATOM 952 OE1 GLU A 66 4.552 -20.394 -7.694 1.00 33.33 O ATOM 953 OE2 GLU A 66 6.616 -19.676 -7.926 1.00 31.40 O ATOM 0 H GLU A 66 6.759 -19.641 -2.543 1.00 71.52 H new ATOM 0 HA GLU A 66 8.936 -20.572 -4.068 1.00 31.50 H new ATOM 0 HB2 GLU A 66 7.928 -20.684 -6.284 1.00 12.42 H new ATOM 0 HB3 GLU A 66 7.208 -21.898 -5.245 1.00 12.42 H new ATOM 0 HG2 GLU A 66 5.145 -20.953 -5.336 1.00 45.13 H new ATOM 0 HG3 GLU A 66 5.768 -19.318 -5.239 1.00 45.13 H new ATOM 960 N LEU A 67 8.679 -18.275 -5.521 1.00 34.12 N ATOM 961 CA LEU A 67 8.855 -16.865 -5.848 1.00 53.54 C ATOM 962 C LEU A 67 7.514 -16.138 -5.865 1.00 12.21 C ATOM 963 O LEU A 67 7.448 -14.931 -5.634 1.00 51.23 O ATOM 964 CB LEU A 67 9.544 -16.718 -7.206 1.00 71.22 C ATOM 965 CG LEU A 67 8.951 -17.539 -8.352 1.00 31.32 C ATOM 966 CD1 LEU A 67 7.785 -16.801 -8.990 1.00 51.41 C ATOM 967 CD2 LEU A 67 10.018 -17.854 -9.390 1.00 72.21 C ATOM 0 H LEU A 67 9.080 -18.919 -6.203 1.00 34.12 H new ATOM 0 HA LEU A 67 9.482 -16.415 -5.078 1.00 53.54 H new ATOM 0 HB2 LEU A 67 9.522 -15.666 -7.490 1.00 71.22 H new ATOM 0 HB3 LEU A 67 10.592 -16.995 -7.091 1.00 71.22 H new ATOM 0 HG LEU A 67 8.579 -18.480 -7.945 1.00 31.32 H new ATOM 0 HD11 LEU A 67 7.376 -17.401 -9.803 1.00 51.41 H new ATOM 0 HD12 LEU A 67 7.011 -16.628 -8.242 1.00 51.41 H new ATOM 0 HD13 LEU A 67 8.131 -15.845 -9.383 1.00 51.41 H new ATOM 0 HD21 LEU A 67 9.578 -18.439 -10.198 1.00 72.21 H new ATOM 0 HD22 LEU A 67 10.420 -16.924 -9.792 1.00 72.21 H new ATOM 0 HD23 LEU A 67 10.821 -18.425 -8.924 1.00 72.21 H new ATOM 979 N ALA A 68 6.447 -16.882 -6.137 1.00 53.33 N ATOM 980 CA ALA A 68 5.107 -16.309 -6.179 1.00 71.34 C ATOM 981 C ALA A 68 4.700 -15.763 -4.815 1.00 41.11 C ATOM 982 O ALA A 68 4.141 -14.671 -4.715 1.00 25.13 O ATOM 983 CB ALA A 68 4.103 -17.350 -6.654 1.00 42.52 C ATOM 0 H ALA A 68 6.484 -17.883 -6.332 1.00 53.33 H new ATOM 0 HA ALA A 68 5.116 -15.479 -6.885 1.00 71.34 H new ATOM 0 HB1 ALA A 68 3.107 -16.909 -6.681 1.00 42.52 H new ATOM 0 HB2 ALA A 68 4.376 -17.690 -7.653 1.00 42.52 H new ATOM 0 HB3 ALA A 68 4.106 -18.198 -5.969 1.00 42.52 H new ATOM 989 N ALA A 69 4.983 -16.530 -3.767 1.00 44.14 N ATOM 990 CA ALA A 69 4.648 -16.122 -2.409 1.00 10.41 C ATOM 991 C ALA A 69 5.477 -14.916 -1.977 1.00 73.54 C ATOM 992 O ALA A 69 4.999 -14.055 -1.239 1.00 5.40 O ATOM 993 CB ALA A 69 4.855 -17.279 -1.444 1.00 35.54 C ATOM 0 H ALA A 69 5.444 -17.438 -3.833 1.00 44.14 H new ATOM 0 HA ALA A 69 3.597 -15.833 -2.392 1.00 10.41 H new ATOM 0 HB1 ALA A 69 4.601 -16.960 -0.433 1.00 35.54 H new ATOM 0 HB2 ALA A 69 4.215 -18.113 -1.733 1.00 35.54 H new ATOM 0 HB3 ALA A 69 5.898 -17.595 -1.473 1.00 35.54 H new ATOM 999 N PHE A 70 6.720 -14.863 -2.442 1.00 45.51 N ATOM 1000 CA PHE A 70 7.616 -13.763 -2.103 1.00 25.34 C ATOM 1001 C PHE A 70 7.106 -12.447 -2.681 1.00 51.12 C ATOM 1002 O PHE A 70 7.268 -11.387 -2.078 1.00 23.10 O ATOM 1003 CB PHE A 70 9.027 -14.048 -2.622 1.00 23.33 C ATOM 1004 CG PHE A 70 10.050 -13.050 -2.158 1.00 74.05 C ATOM 1005 CD1 PHE A 70 10.853 -12.386 -3.072 1.00 34.42 C ATOM 1006 CD2 PHE A 70 10.208 -12.776 -0.810 1.00 13.25 C ATOM 1007 CE1 PHE A 70 11.794 -11.467 -2.649 1.00 41.10 C ATOM 1008 CE2 PHE A 70 11.147 -11.857 -0.381 1.00 30.11 C ATOM 1009 CZ PHE A 70 11.942 -11.203 -1.302 1.00 0.35 C ATOM 0 H PHE A 70 7.130 -15.568 -3.054 1.00 45.51 H new ATOM 0 HA PHE A 70 7.646 -13.674 -1.017 1.00 25.34 H new ATOM 0 HB2 PHE A 70 9.330 -15.044 -2.299 1.00 23.33 H new ATOM 0 HB3 PHE A 70 9.009 -14.058 -3.712 1.00 23.33 H new ATOM 0 HD1 PHE A 70 10.742 -12.589 -4.127 1.00 34.42 H new ATOM 0 HD2 PHE A 70 9.591 -13.286 -0.086 1.00 13.25 H new ATOM 0 HE1 PHE A 70 12.413 -10.956 -3.371 1.00 41.10 H new ATOM 0 HE2 PHE A 70 11.259 -11.650 0.673 1.00 30.11 H new ATOM 0 HZ PHE A 70 12.678 -10.486 -0.969 1.00 0.35 H new ATOM 1019 N ASN A 71 6.488 -12.524 -3.856 1.00 2.45 N ATOM 1020 CA ASN A 71 5.954 -11.339 -4.517 1.00 44.32 C ATOM 1021 C ASN A 71 4.901 -10.658 -3.648 1.00 23.10 C ATOM 1022 O ASN A 71 4.809 -9.431 -3.610 1.00 43.43 O ATOM 1023 CB ASN A 71 5.349 -11.714 -5.871 1.00 60.33 C ATOM 1024 CG ASN A 71 5.530 -10.623 -6.908 1.00 51.43 C ATOM 1025 OD1 ASN A 71 4.706 -9.715 -7.021 1.00 32.05 O ATOM 1026 ND2 ASN A 71 6.612 -10.707 -7.673 1.00 5.42 N ATOM 0 H ASN A 71 6.345 -13.394 -4.369 1.00 2.45 H new ATOM 0 HA ASN A 71 6.776 -10.641 -4.674 1.00 44.32 H new ATOM 0 HB2 ASN A 71 5.812 -12.633 -6.230 1.00 60.33 H new ATOM 0 HB3 ASN A 71 4.286 -11.920 -5.746 1.00 60.33 H new ATOM 0 HD21 ASN A 71 6.786 -10.002 -8.389 1.00 5.42 H new ATOM 0 HD22 ASN A 71 7.269 -11.477 -7.545 1.00 5.42 H new ATOM 1033 N THR A 72 4.108 -11.464 -2.949 1.00 52.00 N ATOM 1034 CA THR A 72 3.061 -10.941 -2.081 1.00 11.25 C ATOM 1035 C THR A 72 3.654 -10.266 -0.849 1.00 44.22 C ATOM 1036 O THR A 72 3.192 -9.206 -0.426 1.00 62.04 O ATOM 1037 CB THR A 72 2.098 -12.055 -1.627 1.00 41.55 C ATOM 1038 OG1 THR A 72 2.313 -13.236 -2.408 1.00 4.31 O ATOM 1039 CG2 THR A 72 0.651 -11.607 -1.764 1.00 74.22 C ATOM 0 H THR A 72 4.171 -12.482 -2.967 1.00 52.00 H new ATOM 0 HA THR A 72 2.506 -10.206 -2.664 1.00 11.25 H new ATOM 0 HB THR A 72 2.297 -12.273 -0.578 1.00 41.55 H new ATOM 0 HG1 THR A 72 1.699 -13.940 -2.113 1.00 4.31 H new ATOM 0 HG21 THR A 72 -0.011 -12.409 -1.438 1.00 74.22 H new ATOM 0 HG22 THR A 72 0.483 -10.725 -1.146 1.00 74.22 H new ATOM 0 HG23 THR A 72 0.442 -11.365 -2.806 1.00 74.22 H new ATOM 1047 N VAL A 73 4.682 -10.886 -0.277 1.00 52.04 N ATOM 1048 CA VAL A 73 5.340 -10.344 0.905 1.00 0.31 C ATOM 1049 C VAL A 73 6.133 -9.087 0.565 1.00 64.12 C ATOM 1050 O VAL A 73 6.094 -8.098 1.296 1.00 0.24 O ATOM 1051 CB VAL A 73 6.286 -11.377 1.544 1.00 21.45 C ATOM 1052 CG1 VAL A 73 7.029 -10.765 2.722 1.00 41.00 C ATOM 1053 CG2 VAL A 73 5.511 -12.613 1.977 1.00 53.30 C ATOM 0 H VAL A 73 5.077 -11.764 -0.614 1.00 52.04 H new ATOM 0 HA VAL A 73 4.554 -10.093 1.617 1.00 0.31 H new ATOM 0 HB VAL A 73 7.022 -11.679 0.799 1.00 21.45 H new ATOM 0 HG11 VAL A 73 7.693 -11.510 3.160 1.00 41.00 H new ATOM 0 HG12 VAL A 73 7.616 -9.913 2.379 1.00 41.00 H new ATOM 0 HG13 VAL A 73 6.311 -10.432 3.472 1.00 41.00 H new ATOM 0 HG21 VAL A 73 6.195 -13.333 2.426 1.00 53.30 H new ATOM 0 HG22 VAL A 73 4.752 -12.330 2.706 1.00 53.30 H new ATOM 0 HG23 VAL A 73 5.030 -13.063 1.109 1.00 53.30 H new ATOM 1063 N VAL A 74 6.854 -9.133 -0.551 1.00 52.14 N ATOM 1064 CA VAL A 74 7.656 -7.997 -0.991 1.00 20.44 C ATOM 1065 C VAL A 74 6.791 -6.758 -1.192 1.00 72.40 C ATOM 1066 O VAL A 74 7.161 -5.657 -0.786 1.00 22.53 O ATOM 1067 CB VAL A 74 8.400 -8.310 -2.303 1.00 14.42 C ATOM 1068 CG1 VAL A 74 9.099 -7.066 -2.830 1.00 11.35 C ATOM 1069 CG2 VAL A 74 9.394 -9.442 -2.095 1.00 34.31 C ATOM 0 H VAL A 74 6.899 -9.945 -1.167 1.00 52.14 H new ATOM 0 HA VAL A 74 8.386 -7.802 -0.206 1.00 20.44 H new ATOM 0 HB VAL A 74 7.670 -8.630 -3.047 1.00 14.42 H new ATOM 0 HG11 VAL A 74 9.619 -7.306 -3.757 1.00 11.35 H new ATOM 0 HG12 VAL A 74 8.361 -6.287 -3.019 1.00 11.35 H new ATOM 0 HG13 VAL A 74 9.818 -6.712 -2.091 1.00 11.35 H new ATOM 0 HG21 VAL A 74 9.910 -9.650 -3.032 1.00 34.31 H new ATOM 0 HG22 VAL A 74 10.121 -9.153 -1.336 1.00 34.31 H new ATOM 0 HG23 VAL A 74 8.864 -10.336 -1.767 1.00 34.31 H new ATOM 1079 N ALA A 75 5.636 -6.946 -1.822 1.00 33.12 N ATOM 1080 CA ALA A 75 4.716 -5.844 -2.075 1.00 71.11 C ATOM 1081 C ALA A 75 4.325 -5.146 -0.777 1.00 44.51 C ATOM 1082 O ALA A 75 4.257 -3.918 -0.718 1.00 53.33 O ATOM 1083 CB ALA A 75 3.476 -6.347 -2.800 1.00 21.45 C ATOM 0 H ALA A 75 5.315 -7.851 -2.166 1.00 33.12 H new ATOM 0 HA ALA A 75 5.225 -5.117 -2.709 1.00 71.11 H new ATOM 0 HB1 ALA A 75 2.798 -5.513 -2.982 1.00 21.45 H new ATOM 0 HB2 ALA A 75 3.767 -6.793 -3.751 1.00 21.45 H new ATOM 0 HB3 ALA A 75 2.974 -7.095 -2.186 1.00 21.45 H new ATOM 1089 N ARG A 76 4.070 -5.935 0.261 1.00 70.32 N ATOM 1090 CA ARG A 76 3.684 -5.392 1.558 1.00 43.04 C ATOM 1091 C ARG A 76 4.903 -4.867 2.311 1.00 12.22 C ATOM 1092 O ARG A 76 4.795 -3.949 3.125 1.00 34.11 O ATOM 1093 CB ARG A 76 2.977 -6.461 2.392 1.00 31.03 C ATOM 1094 CG ARG A 76 1.481 -6.545 2.133 1.00 25.14 C ATOM 1095 CD ARG A 76 1.184 -6.789 0.662 1.00 33.03 C ATOM 1096 NE ARG A 76 -0.251 -6.825 0.393 1.00 33.10 N ATOM 1097 CZ ARG A 76 -0.770 -7.171 -0.780 1.00 14.32 C ATOM 1098 NH1 ARG A 76 0.024 -7.509 -1.786 1.00 53.44 N ATOM 1099 NH2 ARG A 76 -2.087 -7.179 -0.947 1.00 63.44 N ATOM 0 H ARG A 76 4.124 -6.953 0.229 1.00 70.32 H new ATOM 0 HA ARG A 76 2.998 -4.562 1.388 1.00 43.04 H new ATOM 0 HB2 ARG A 76 3.428 -7.431 2.182 1.00 31.03 H new ATOM 0 HB3 ARG A 76 3.143 -6.254 3.449 1.00 31.03 H new ATOM 0 HG2 ARG A 76 1.052 -7.349 2.730 1.00 25.14 H new ATOM 0 HG3 ARG A 76 1.002 -5.620 2.453 1.00 25.14 H new ATOM 0 HD2 ARG A 76 1.646 -6.003 0.064 1.00 33.03 H new ATOM 0 HD3 ARG A 76 1.635 -7.732 0.353 1.00 33.03 H new ATOM 0 HE ARG A 76 -0.889 -6.571 1.147 1.00 33.10 H new ATOM 0 HH11 ARG A 76 1.036 -7.504 -1.661 1.00 53.44 H new ATOM 0 HH12 ARG A 76 -0.377 -7.774 -2.685 1.00 53.44 H new ATOM 0 HH21 ARG A 76 -2.701 -6.919 -0.175 1.00 63.44 H new ATOM 0 HH22 ARG A 76 -2.485 -7.445 -1.848 1.00 63.44 H new ATOM 1113 N HIS A 77 6.062 -5.456 2.035 1.00 42.42 N ATOM 1114 CA HIS A 77 7.302 -5.047 2.687 1.00 75.15 C ATOM 1115 C HIS A 77 7.831 -3.750 2.082 1.00 65.41 C ATOM 1116 O HIS A 77 8.523 -2.980 2.748 1.00 10.11 O ATOM 1117 CB HIS A 77 8.355 -6.149 2.563 1.00 15.20 C ATOM 1118 CG HIS A 77 8.457 -7.019 3.778 1.00 55.21 C ATOM 1119 ND1 HIS A 77 7.497 -7.948 4.121 1.00 10.30 N ATOM 1120 CD2 HIS A 77 9.413 -7.098 4.732 1.00 63.40 C ATOM 1121 CE1 HIS A 77 7.858 -8.560 5.235 1.00 43.15 C ATOM 1122 NE2 HIS A 77 9.018 -8.063 5.626 1.00 60.24 N ATOM 0 H HIS A 77 6.169 -6.218 1.365 1.00 42.42 H new ATOM 0 HA HIS A 77 7.090 -4.875 3.742 1.00 75.15 H new ATOM 0 HB2 HIS A 77 8.118 -6.771 1.700 1.00 15.20 H new ATOM 0 HB3 HIS A 77 9.326 -5.693 2.370 1.00 15.20 H new ATOM 0 HD1 HIS A 77 6.642 -8.134 3.597 1.00 10.30 H new ATOM 0 HD2 HIS A 77 10.318 -6.511 4.781 1.00 63.40 H new ATOM 0 HE1 HIS A 77 7.300 -9.335 5.740 1.00 43.15 H new ATOM 1130 N VAL A 78 7.503 -3.516 0.815 1.00 21.03 N ATOM 1131 CA VAL A 78 7.946 -2.313 0.121 1.00 54.21 C ATOM 1132 C VAL A 78 7.358 -1.061 0.762 1.00 10.32 C ATOM 1133 O VAL A 78 6.221 -0.681 0.480 1.00 63.51 O ATOM 1134 CB VAL A 78 7.552 -2.347 -1.368 1.00 12.03 C ATOM 1135 CG1 VAL A 78 7.758 -0.982 -2.006 1.00 53.22 C ATOM 1136 CG2 VAL A 78 8.347 -3.415 -2.104 1.00 53.53 C ATOM 0 H VAL A 78 6.932 -4.144 0.249 1.00 21.03 H new ATOM 0 HA VAL A 78 9.033 -2.283 0.201 1.00 54.21 H new ATOM 0 HB VAL A 78 6.494 -2.599 -1.441 1.00 12.03 H new ATOM 0 HG11 VAL A 78 7.475 -1.025 -3.058 1.00 53.22 H new ATOM 0 HG12 VAL A 78 7.141 -0.244 -1.494 1.00 53.22 H new ATOM 0 HG13 VAL A 78 8.807 -0.697 -1.924 1.00 53.22 H new ATOM 0 HG21 VAL A 78 8.056 -3.426 -3.154 1.00 53.53 H new ATOM 0 HG22 VAL A 78 9.412 -3.196 -2.024 1.00 53.53 H new ATOM 0 HG23 VAL A 78 8.143 -4.390 -1.661 1.00 53.53 H new ATOM 1146 N ARG A 79 8.140 -0.422 1.626 1.00 23.33 N ATOM 1147 CA ARG A 79 7.697 0.787 2.309 1.00 42.43 C ATOM 1148 C ARG A 79 8.889 1.643 2.727 1.00 3.12 C ATOM 1149 O ARG A 79 10.011 1.159 2.874 1.00 25.42 O ATOM 1150 CB ARG A 79 6.858 0.428 3.536 1.00 30.22 C ATOM 1151 CG ARG A 79 5.382 0.755 3.382 1.00 52.41 C ATOM 1152 CD ARG A 79 4.844 1.490 4.600 1.00 50.23 C ATOM 1153 NE ARG A 79 4.365 0.570 5.627 1.00 33.51 N ATOM 1154 CZ ARG A 79 3.641 0.949 6.674 1.00 0.13 C ATOM 1155 NH1 ARG A 79 3.315 2.224 6.832 1.00 54.54 N ATOM 1156 NH2 ARG A 79 3.242 0.052 7.567 1.00 71.12 N ATOM 0 H ARG A 79 9.084 -0.722 1.870 1.00 23.33 H new ATOM 0 HA ARG A 79 7.084 1.362 1.615 1.00 42.43 H new ATOM 0 HB2 ARG A 79 6.966 -0.637 3.740 1.00 30.22 H new ATOM 0 HB3 ARG A 79 7.251 0.960 4.402 1.00 30.22 H new ATOM 0 HG2 ARG A 79 5.235 1.367 2.492 1.00 52.41 H new ATOM 0 HG3 ARG A 79 4.818 -0.166 3.233 1.00 52.41 H new ATOM 0 HD2 ARG A 79 5.628 2.123 5.017 1.00 50.23 H new ATOM 0 HD3 ARG A 79 4.031 2.149 4.296 1.00 50.23 H new ATOM 0 HE ARG A 79 4.599 -0.419 5.536 1.00 33.51 H new ATOM 0 HH11 ARG A 79 3.620 2.917 6.149 1.00 54.54 H new ATOM 0 HH12 ARG A 79 2.759 2.512 7.637 1.00 54.54 H new ATOM 0 HH21 ARG A 79 3.491 -0.930 7.450 1.00 71.12 H new ATOM 0 HH22 ARG A 79 2.686 0.345 8.371 1.00 71.12 H new ATOM 1170 N PRO A 80 8.642 2.947 2.923 1.00 23.24 N ATOM 1171 CA PRO A 80 9.682 3.897 3.327 1.00 5.55 C ATOM 1172 C PRO A 80 10.150 3.670 4.761 1.00 45.02 C ATOM 1173 O PRO A 80 9.431 3.970 5.714 1.00 43.13 O ATOM 1174 CB PRO A 80 8.990 5.256 3.200 1.00 14.54 C ATOM 1175 CG PRO A 80 7.539 4.958 3.360 1.00 12.44 C ATOM 1176 CD PRO A 80 7.329 3.593 2.766 1.00 14.23 C ATOM 0 HA PRO A 80 10.580 3.802 2.717 1.00 5.55 H new ATOM 0 HB2 PRO A 80 9.338 5.951 3.964 1.00 14.54 H new ATOM 0 HB3 PRO A 80 9.196 5.716 2.234 1.00 14.54 H new ATOM 0 HG2 PRO A 80 7.251 4.975 4.411 1.00 12.44 H new ATOM 0 HG3 PRO A 80 6.929 5.704 2.850 1.00 12.44 H new ATOM 0 HD2 PRO A 80 6.546 3.044 3.288 1.00 14.23 H new ATOM 0 HD3 PRO A 80 7.033 3.652 1.719 1.00 14.23 H new ATOM 1184 N SER A 81 11.360 3.139 4.906 1.00 21.52 N ATOM 1185 CA SER A 81 11.923 2.868 6.224 1.00 33.20 C ATOM 1186 C SER A 81 11.043 1.892 7.000 1.00 3.22 C ATOM 1187 O SER A 81 10.841 2.045 8.204 1.00 30.14 O ATOM 1188 CB SER A 81 12.079 4.170 7.012 1.00 34.45 C ATOM 1189 OG SER A 81 12.678 5.178 6.218 1.00 41.30 O ATOM 0 H SER A 81 11.969 2.888 4.127 1.00 21.52 H new ATOM 0 HA SER A 81 12.905 2.415 6.087 1.00 33.20 H new ATOM 0 HB2 SER A 81 11.102 4.508 7.359 1.00 34.45 H new ATOM 0 HB3 SER A 81 12.688 3.991 7.898 1.00 34.45 H new ATOM 0 HG SER A 81 12.765 6.000 6.744 1.00 41.30 H new ATOM 1195 N ALA A 82 10.523 0.889 6.301 1.00 41.14 N ATOM 1196 CA ALA A 82 9.667 -0.113 6.923 1.00 61.21 C ATOM 1197 C ALA A 82 10.491 -1.266 7.486 1.00 4.11 C ATOM 1198 O ALA A 82 10.996 -2.104 6.739 1.00 43.43 O ATOM 1199 CB ALA A 82 8.647 -0.632 5.920 1.00 12.24 C ATOM 0 H ALA A 82 10.680 0.749 5.303 1.00 41.14 H new ATOM 0 HA ALA A 82 9.139 0.360 7.751 1.00 61.21 H new ATOM 0 HB1 ALA A 82 8.014 -1.380 6.398 1.00 12.24 H new ATOM 0 HB2 ALA A 82 8.029 0.194 5.568 1.00 12.24 H new ATOM 0 HB3 ALA A 82 9.166 -1.083 5.074 1.00 12.24 H new ATOM 1205 N SER A 83 10.624 -1.302 8.808 1.00 2.11 N ATOM 1206 CA SER A 83 11.392 -2.350 9.471 1.00 15.31 C ATOM 1207 C SER A 83 10.492 -3.520 9.856 1.00 23.53 C ATOM 1208 O SER A 83 9.615 -3.388 10.710 1.00 32.31 O ATOM 1209 CB SER A 83 12.085 -1.793 10.716 1.00 31.31 C ATOM 1210 OG SER A 83 12.639 -0.514 10.463 1.00 55.34 O ATOM 0 H SER A 83 10.210 -0.618 9.441 1.00 2.11 H new ATOM 0 HA SER A 83 12.149 -2.710 8.774 1.00 15.31 H new ATOM 0 HB2 SER A 83 11.369 -1.727 11.535 1.00 31.31 H new ATOM 0 HB3 SER A 83 12.872 -2.477 11.035 1.00 31.31 H new ATOM 0 HG SER A 83 13.074 -0.180 11.275 1.00 55.34 H new ATOM 1216 N ILE A 84 10.717 -4.665 9.221 1.00 64.34 N ATOM 1217 CA ILE A 84 9.929 -5.860 9.497 1.00 50.31 C ATOM 1218 C ILE A 84 10.826 -7.042 9.846 1.00 64.34 C ATOM 1219 O ILE A 84 11.817 -7.322 9.170 1.00 73.42 O ATOM 1220 CB ILE A 84 9.042 -6.239 8.296 1.00 23.21 C ATOM 1221 CG1 ILE A 84 8.140 -5.065 7.909 1.00 23.32 C ATOM 1222 CG2 ILE A 84 8.209 -7.470 8.621 1.00 10.10 C ATOM 1223 CD1 ILE A 84 7.243 -4.597 9.033 1.00 33.01 C ATOM 0 H ILE A 84 11.439 -4.791 8.511 1.00 64.34 H new ATOM 0 HA ILE A 84 9.291 -5.627 10.350 1.00 50.31 H new ATOM 0 HB ILE A 84 9.685 -6.473 7.448 1.00 23.21 H new ATOM 0 HG12 ILE A 84 8.762 -4.232 7.580 1.00 23.32 H new ATOM 0 HG13 ILE A 84 7.522 -5.356 7.059 1.00 23.32 H new ATOM 0 HG21 ILE A 84 7.587 -7.726 7.763 1.00 10.10 H new ATOM 0 HG22 ILE A 84 8.870 -8.306 8.852 1.00 10.10 H new ATOM 0 HG23 ILE A 84 7.572 -7.262 9.481 1.00 10.10 H new ATOM 0 HD11 ILE A 84 6.632 -3.763 8.688 1.00 33.01 H new ATOM 0 HD12 ILE A 84 6.596 -5.416 9.347 1.00 33.01 H new ATOM 0 HD13 ILE A 84 7.854 -4.274 9.876 1.00 33.01 H new ATOM 1235 N PRO A 85 10.473 -7.755 10.925 1.00 33.32 N ATOM 1236 CA PRO A 85 11.232 -8.921 11.387 1.00 35.32 C ATOM 1237 C PRO A 85 11.103 -10.109 10.440 1.00 63.05 C ATOM 1238 O PRO A 85 10.023 -10.680 10.286 1.00 44.43 O ATOM 1239 CB PRO A 85 10.594 -9.246 12.741 1.00 42.24 C ATOM 1240 CG PRO A 85 9.211 -8.701 12.648 1.00 33.01 C ATOM 1241 CD PRO A 85 9.304 -7.478 11.778 1.00 63.43 C ATOM 0 HA PRO A 85 12.301 -8.715 11.442 1.00 35.32 H new ATOM 0 HB2 PRO A 85 10.585 -10.320 12.927 1.00 42.24 H new ATOM 0 HB3 PRO A 85 11.147 -8.786 13.560 1.00 42.24 H new ATOM 0 HG2 PRO A 85 8.531 -9.435 12.217 1.00 33.01 H new ATOM 0 HG3 PRO A 85 8.824 -8.449 13.635 1.00 33.01 H new ATOM 0 HD2 PRO A 85 8.400 -7.336 11.187 1.00 63.43 H new ATOM 0 HD3 PRO A 85 9.444 -6.573 12.370 1.00 63.43 H new ATOM 1249 N VAL A 86 12.212 -10.477 9.806 1.00 25.32 N ATOM 1250 CA VAL A 86 12.224 -11.599 8.874 1.00 3.34 C ATOM 1251 C VAL A 86 13.001 -12.780 9.446 1.00 40.34 C ATOM 1252 O VAL A 86 14.031 -12.603 10.096 1.00 43.11 O ATOM 1253 CB VAL A 86 12.842 -11.198 7.522 1.00 41.13 C ATOM 1254 CG1 VAL A 86 13.042 -12.423 6.642 1.00 52.41 C ATOM 1255 CG2 VAL A 86 11.970 -10.166 6.823 1.00 50.20 C ATOM 0 H VAL A 86 13.114 -10.015 9.921 1.00 25.32 H new ATOM 0 HA VAL A 86 11.186 -11.893 8.718 1.00 3.34 H new ATOM 0 HB VAL A 86 13.818 -10.750 7.707 1.00 41.13 H new ATOM 0 HG11 VAL A 86 13.480 -12.120 5.691 1.00 52.41 H new ATOM 0 HG12 VAL A 86 13.710 -13.125 7.142 1.00 52.41 H new ATOM 0 HG13 VAL A 86 12.080 -12.903 6.462 1.00 52.41 H new ATOM 0 HG21 VAL A 86 12.422 -9.894 5.869 1.00 50.20 H new ATOM 0 HG22 VAL A 86 10.979 -10.585 6.649 1.00 50.20 H new ATOM 0 HG23 VAL A 86 11.883 -9.278 7.450 1.00 50.20 H new ATOM 1265 N VAL A 87 12.500 -13.986 9.198 1.00 42.22 N ATOM 1266 CA VAL A 87 13.148 -15.198 9.686 1.00 52.51 C ATOM 1267 C VAL A 87 14.035 -15.817 8.612 1.00 74.51 C ATOM 1268 O VAL A 87 13.601 -16.030 7.479 1.00 15.54 O ATOM 1269 CB VAL A 87 12.112 -16.241 10.146 1.00 5.35 C ATOM 1270 CG1 VAL A 87 12.804 -17.525 10.578 1.00 71.13 C ATOM 1271 CG2 VAL A 87 11.258 -15.681 11.274 1.00 60.03 C ATOM 0 H VAL A 87 11.648 -14.150 8.662 1.00 42.22 H new ATOM 0 HA VAL A 87 13.763 -14.908 10.538 1.00 52.51 H new ATOM 0 HB VAL A 87 11.457 -16.473 9.306 1.00 5.35 H new ATOM 0 HG11 VAL A 87 12.057 -18.250 10.900 1.00 71.13 H new ATOM 0 HG12 VAL A 87 13.369 -17.933 9.740 1.00 71.13 H new ATOM 0 HG13 VAL A 87 13.483 -17.312 11.404 1.00 71.13 H new ATOM 0 HG21 VAL A 87 10.531 -16.431 11.587 1.00 60.03 H new ATOM 0 HG22 VAL A 87 11.896 -15.420 12.118 1.00 60.03 H new ATOM 0 HG23 VAL A 87 10.734 -14.791 10.926 1.00 60.03 H new ATOM 1281 N PHE A 88 15.280 -16.107 8.975 1.00 52.21 N ATOM 1282 CA PHE A 88 16.229 -16.703 8.042 1.00 1.31 C ATOM 1283 C PHE A 88 16.631 -18.103 8.496 1.00 62.05 C ATOM 1284 O PHE A 88 16.517 -18.443 9.673 1.00 1.52 O ATOM 1285 CB PHE A 88 17.472 -15.820 7.913 1.00 41.32 C ATOM 1286 CG PHE A 88 17.179 -14.446 7.381 1.00 71.12 C ATOM 1287 CD1 PHE A 88 17.132 -13.354 8.232 1.00 21.25 C ATOM 1288 CD2 PHE A 88 16.949 -14.247 6.029 1.00 44.21 C ATOM 1289 CE1 PHE A 88 16.863 -12.089 7.746 1.00 11.31 C ATOM 1290 CE2 PHE A 88 16.680 -12.984 5.537 1.00 42.32 C ATOM 1291 CZ PHE A 88 16.636 -11.904 6.397 1.00 53.55 C ATOM 0 H PHE A 88 15.655 -15.939 9.908 1.00 52.21 H new ATOM 0 HA PHE A 88 15.744 -16.781 7.069 1.00 1.31 H new ATOM 0 HB2 PHE A 88 17.946 -15.729 8.890 1.00 41.32 H new ATOM 0 HB3 PHE A 88 18.189 -16.310 7.255 1.00 41.32 H new ATOM 0 HD1 PHE A 88 17.308 -13.493 9.288 1.00 21.25 H new ATOM 0 HD2 PHE A 88 16.980 -15.088 5.352 1.00 44.21 H new ATOM 0 HE1 PHE A 88 16.830 -11.246 8.420 1.00 11.31 H new ATOM 0 HE2 PHE A 88 16.504 -12.841 4.481 1.00 42.32 H new ATOM 0 HZ PHE A 88 16.424 -10.916 6.015 1.00 53.55 H new ATOM 1301 N SER A 89 17.102 -18.912 7.552 1.00 53.14 N ATOM 1302 CA SER A 89 17.517 -20.277 7.852 1.00 71.10 C ATOM 1303 C SER A 89 18.826 -20.615 7.145 1.00 1.23 C ATOM 1304 O SER A 89 19.097 -20.123 6.050 1.00 64.44 O ATOM 1305 CB SER A 89 16.428 -21.267 7.434 1.00 63.42 C ATOM 1306 OG SER A 89 15.578 -21.581 8.523 1.00 25.45 O ATOM 0 H SER A 89 17.206 -18.645 6.573 1.00 53.14 H new ATOM 0 HA SER A 89 17.675 -20.354 8.928 1.00 71.10 H new ATOM 0 HB2 SER A 89 15.840 -20.843 6.620 1.00 63.42 H new ATOM 0 HB3 SER A 89 16.888 -22.179 7.053 1.00 63.42 H new ATOM 0 HG SER A 89 16.120 -21.763 9.319 1.00 25.45 H new ATOM 1312 N ARG A 90 19.634 -21.457 7.781 1.00 42.01 N ATOM 1313 CA ARG A 90 20.916 -21.860 7.215 1.00 72.11 C ATOM 1314 C ARG A 90 21.113 -23.368 7.336 1.00 24.33 C ATOM 1315 O ARG A 90 21.696 -23.852 8.307 1.00 42.10 O ATOM 1316 CB ARG A 90 22.061 -21.127 7.916 1.00 14.14 C ATOM 1317 CG ARG A 90 23.288 -20.936 7.041 1.00 4.11 C ATOM 1318 CD ARG A 90 24.552 -21.410 7.742 1.00 13.14 C ATOM 1319 NE ARG A 90 25.711 -20.592 7.395 1.00 55.21 N ATOM 1320 CZ ARG A 90 25.913 -19.367 7.867 1.00 44.22 C ATOM 1321 NH1 ARG A 90 25.040 -18.821 8.702 1.00 72.32 N ATOM 1322 NH2 ARG A 90 26.992 -18.685 7.504 1.00 44.11 N ATOM 0 H ARG A 90 19.424 -21.873 8.688 1.00 42.01 H new ATOM 0 HA ARG A 90 20.918 -21.594 6.158 1.00 72.11 H new ATOM 0 HB2 ARG A 90 21.707 -20.151 8.248 1.00 14.14 H new ATOM 0 HB3 ARG A 90 22.345 -21.684 8.809 1.00 14.14 H new ATOM 0 HG2 ARG A 90 23.160 -21.485 6.108 1.00 4.11 H new ATOM 0 HG3 ARG A 90 23.389 -19.883 6.779 1.00 4.11 H new ATOM 0 HD2 ARG A 90 24.400 -21.383 8.821 1.00 13.14 H new ATOM 0 HD3 ARG A 90 24.748 -22.448 7.473 1.00 13.14 H new ATOM 0 HE ARG A 90 26.403 -20.983 6.755 1.00 55.21 H new ATOM 0 HH11 ARG A 90 24.210 -19.342 8.984 1.00 72.32 H new ATOM 0 HH12 ARG A 90 25.199 -17.880 9.062 1.00 72.32 H new ATOM 0 HH21 ARG A 90 27.667 -19.101 6.862 1.00 44.11 H new ATOM 0 HH22 ARG A 90 27.147 -17.744 7.867 1.00 44.11 H new ATOM 1336 N ASP A 91 20.624 -24.105 6.345 1.00 30.44 N ATOM 1337 CA ASP A 91 20.747 -25.559 6.341 1.00 40.54 C ATOM 1338 C ASP A 91 20.027 -26.169 7.539 1.00 51.11 C ATOM 1339 O ASP A 91 20.508 -27.126 8.143 1.00 31.44 O ATOM 1340 CB ASP A 91 22.221 -25.967 6.353 1.00 11.13 C ATOM 1341 CG ASP A 91 23.088 -25.033 5.532 1.00 54.13 C ATOM 1342 OD1 ASP A 91 22.979 -25.063 4.288 1.00 50.33 O ATOM 1343 OD2 ASP A 91 23.874 -24.272 6.133 1.00 52.54 O ATOM 0 H ASP A 91 20.139 -23.720 5.534 1.00 30.44 H new ATOM 0 HA ASP A 91 20.281 -25.936 5.431 1.00 40.54 H new ATOM 0 HB2 ASP A 91 22.582 -25.983 7.381 1.00 11.13 H new ATOM 0 HB3 ASP A 91 22.317 -26.981 5.966 1.00 11.13 H new ATOM 1348 N GLY A 92 18.871 -25.606 7.878 1.00 74.53 N ATOM 1349 CA GLY A 92 18.104 -26.108 9.003 1.00 14.42 C ATOM 1350 C GLY A 92 18.265 -25.250 10.243 1.00 62.23 C ATOM 1351 O GLY A 92 17.502 -25.380 11.200 1.00 41.30 O ATOM 0 H GLY A 92 18.452 -24.812 7.394 1.00 74.53 H new ATOM 0 HA2 GLY A 92 17.050 -26.152 8.730 1.00 14.42 H new ATOM 0 HA3 GLY A 92 18.418 -27.128 9.227 1.00 14.42 H new ATOM 1355 N VAL A 93 19.263 -24.372 10.227 1.00 20.00 N ATOM 1356 CA VAL A 93 19.523 -23.490 11.359 1.00 61.14 C ATOM 1357 C VAL A 93 18.387 -22.492 11.550 1.00 52.11 C ATOM 1358 O VAL A 93 17.797 -22.013 10.581 1.00 34.43 O ATOM 1359 CB VAL A 93 20.844 -22.719 11.177 1.00 0.02 C ATOM 1360 CG1 VAL A 93 21.014 -21.684 12.279 1.00 61.21 C ATOM 1361 CG2 VAL A 93 22.023 -23.681 11.151 1.00 15.50 C ATOM 0 H VAL A 93 19.904 -24.252 9.443 1.00 20.00 H new ATOM 0 HA VAL A 93 19.599 -24.123 12.243 1.00 61.14 H new ATOM 0 HB VAL A 93 20.811 -22.195 10.222 1.00 0.02 H new ATOM 0 HG11 VAL A 93 21.953 -21.149 12.134 1.00 61.21 H new ATOM 0 HG12 VAL A 93 20.185 -20.977 12.246 1.00 61.21 H new ATOM 0 HG13 VAL A 93 21.027 -22.183 13.248 1.00 61.21 H new ATOM 0 HG21 VAL A 93 22.948 -23.119 11.022 1.00 15.50 H new ATOM 0 HG22 VAL A 93 22.062 -24.234 12.090 1.00 15.50 H new ATOM 0 HG23 VAL A 93 21.904 -24.380 10.323 1.00 15.50 H new ATOM 1371 N VAL A 94 18.085 -22.181 12.807 1.00 51.14 N ATOM 1372 CA VAL A 94 17.020 -21.238 13.126 1.00 51.20 C ATOM 1373 C VAL A 94 17.587 -19.935 13.679 1.00 31.21 C ATOM 1374 O VAL A 94 18.249 -19.926 14.716 1.00 4.11 O ATOM 1375 CB VAL A 94 16.033 -21.831 14.149 1.00 2.13 C ATOM 1376 CG1 VAL A 94 16.773 -22.308 15.390 1.00 51.11 C ATOM 1377 CG2 VAL A 94 14.967 -20.809 14.514 1.00 33.42 C ATOM 0 H VAL A 94 18.563 -22.568 13.621 1.00 51.14 H new ATOM 0 HA VAL A 94 16.489 -21.034 12.196 1.00 51.20 H new ATOM 0 HB VAL A 94 15.540 -22.691 13.696 1.00 2.13 H new ATOM 0 HG11 VAL A 94 16.060 -22.724 16.102 1.00 51.11 H new ATOM 0 HG12 VAL A 94 17.496 -23.075 15.111 1.00 51.11 H new ATOM 0 HG13 VAL A 94 17.295 -21.468 15.848 1.00 51.11 H new ATOM 0 HG21 VAL A 94 14.278 -21.245 15.238 1.00 33.42 H new ATOM 0 HG22 VAL A 94 15.441 -19.929 14.948 1.00 33.42 H new ATOM 0 HG23 VAL A 94 14.417 -20.521 13.618 1.00 33.42 H new ATOM 1387 N MET A 95 17.322 -18.837 12.980 1.00 54.32 N ATOM 1388 CA MET A 95 17.804 -17.527 13.402 1.00 24.13 C ATOM 1389 C MET A 95 16.778 -16.443 13.090 1.00 1.40 C ATOM 1390 O MET A 95 15.854 -16.657 12.306 1.00 13.00 O ATOM 1391 CB MET A 95 19.132 -17.203 12.714 1.00 12.23 C ATOM 1392 CG MET A 95 20.103 -18.371 12.687 1.00 64.42 C ATOM 1393 SD MET A 95 21.820 -17.844 12.525 1.00 50.23 S ATOM 1394 CE MET A 95 22.384 -18.001 14.218 1.00 53.35 C ATOM 0 H MET A 95 16.776 -18.828 12.118 1.00 54.32 H new ATOM 0 HA MET A 95 17.959 -17.555 14.481 1.00 24.13 H new ATOM 0 HB2 MET A 95 18.933 -16.883 11.691 1.00 12.23 H new ATOM 0 HB3 MET A 95 19.601 -16.363 13.226 1.00 12.23 H new ATOM 0 HG2 MET A 95 19.991 -18.953 13.602 1.00 64.42 H new ATOM 0 HG3 MET A 95 19.849 -19.030 11.857 1.00 64.42 H new ATOM 0 HE1 MET A 95 23.432 -17.710 14.281 1.00 53.35 H new ATOM 0 HE2 MET A 95 21.788 -17.353 14.861 1.00 53.35 H new ATOM 0 HE3 MET A 95 22.275 -19.036 14.543 1.00 53.35 H new ATOM 1404 N SER A 96 16.947 -15.278 13.709 1.00 61.34 N ATOM 1405 CA SER A 96 16.033 -14.162 13.499 1.00 12.24 C ATOM 1406 C SER A 96 16.793 -12.840 13.447 1.00 53.13 C ATOM 1407 O SER A 96 17.589 -12.533 14.334 1.00 73.14 O ATOM 1408 CB SER A 96 14.986 -14.117 14.614 1.00 54.01 C ATOM 1409 OG SER A 96 15.566 -13.715 15.843 1.00 74.31 O ATOM 0 H SER A 96 17.708 -15.083 14.359 1.00 61.34 H new ATOM 0 HA SER A 96 15.531 -14.310 12.543 1.00 12.24 H new ATOM 0 HB2 SER A 96 14.189 -13.425 14.341 1.00 54.01 H new ATOM 0 HB3 SER A 96 14.529 -15.100 14.728 1.00 54.01 H new ATOM 0 HG SER A 96 16.424 -13.274 15.671 1.00 74.31 H new ATOM 1415 N ALA A 97 16.541 -12.061 12.400 1.00 75.13 N ATOM 1416 CA ALA A 97 17.198 -10.771 12.231 1.00 64.41 C ATOM 1417 C ALA A 97 16.246 -9.744 11.630 1.00 14.52 C ATOM 1418 O ALA A 97 15.463 -10.057 10.732 1.00 12.54 O ATOM 1419 CB ALA A 97 18.436 -10.920 11.358 1.00 32.31 C ATOM 0 H ALA A 97 15.886 -12.301 11.656 1.00 75.13 H new ATOM 0 HA ALA A 97 17.501 -10.414 13.215 1.00 64.41 H new ATOM 0 HB1 ALA A 97 18.917 -9.949 11.240 1.00 32.31 H new ATOM 0 HB2 ALA A 97 19.132 -11.615 11.829 1.00 32.31 H new ATOM 0 HB3 ALA A 97 18.147 -11.303 10.379 1.00 32.31 H new ATOM 1425 N THR A 98 16.316 -8.514 12.132 1.00 73.25 N ATOM 1426 CA THR A 98 15.458 -7.441 11.646 1.00 42.42 C ATOM 1427 C THR A 98 16.044 -6.791 10.398 1.00 44.42 C ATOM 1428 O THR A 98 17.188 -6.335 10.403 1.00 3.32 O ATOM 1429 CB THR A 98 15.247 -6.360 12.723 1.00 53.44 C ATOM 1430 OG1 THR A 98 14.788 -6.962 13.938 1.00 73.01 O ATOM 1431 CG2 THR A 98 14.240 -5.319 12.255 1.00 63.33 C ATOM 0 H THR A 98 16.958 -8.237 12.875 1.00 73.25 H new ATOM 0 HA THR A 98 14.496 -7.892 11.400 1.00 42.42 H new ATOM 0 HB THR A 98 16.202 -5.865 12.901 1.00 53.44 H new ATOM 0 HG1 THR A 98 14.658 -6.268 14.618 1.00 73.01 H new ATOM 0 HG21 THR A 98 14.107 -4.566 13.032 1.00 63.33 H new ATOM 0 HG22 THR A 98 14.606 -4.842 11.346 1.00 63.33 H new ATOM 0 HG23 THR A 98 13.285 -5.803 12.052 1.00 63.33 H new ATOM 1439 N ILE A 99 15.254 -6.751 9.330 1.00 2.33 N ATOM 1440 CA ILE A 99 15.695 -6.154 8.076 1.00 65.33 C ATOM 1441 C ILE A 99 14.946 -4.857 7.790 1.00 22.30 C ATOM 1442 O ILE A 99 13.716 -4.824 7.799 1.00 14.54 O ATOM 1443 CB ILE A 99 15.497 -7.120 6.893 1.00 74.14 C ATOM 1444 CG1 ILE A 99 14.008 -7.407 6.685 1.00 41.45 C ATOM 1445 CG2 ILE A 99 16.262 -8.413 7.130 1.00 63.10 C ATOM 1446 CD1 ILE A 99 13.394 -6.619 5.548 1.00 2.25 C ATOM 0 H ILE A 99 14.305 -7.125 9.308 1.00 2.33 H new ATOM 0 HA ILE A 99 16.758 -5.939 8.186 1.00 65.33 H new ATOM 0 HB ILE A 99 15.888 -6.650 5.991 1.00 74.14 H new ATOM 0 HG12 ILE A 99 13.875 -8.472 6.492 1.00 41.45 H new ATOM 0 HG13 ILE A 99 13.470 -7.180 7.606 1.00 41.45 H new ATOM 0 HG21 ILE A 99 16.112 -9.085 6.285 1.00 63.10 H new ATOM 0 HG22 ILE A 99 17.325 -8.193 7.234 1.00 63.10 H new ATOM 0 HG23 ILE A 99 15.899 -8.889 8.041 1.00 63.10 H new ATOM 0 HD11 ILE A 99 12.338 -6.873 5.458 1.00 2.25 H new ATOM 0 HD12 ILE A 99 13.495 -5.552 5.748 1.00 2.25 H new ATOM 0 HD13 ILE A 99 13.906 -6.864 4.617 1.00 2.25 H new ATOM 1458 N VAL A 100 15.697 -3.790 7.534 1.00 31.54 N ATOM 1459 CA VAL A 100 15.104 -2.491 7.243 1.00 42.34 C ATOM 1460 C VAL A 100 15.201 -2.164 5.757 1.00 53.23 C ATOM 1461 O VAL A 100 16.291 -1.951 5.226 1.00 21.31 O ATOM 1462 CB VAL A 100 15.786 -1.369 8.049 1.00 32.30 C ATOM 1463 CG1 VAL A 100 17.295 -1.422 7.867 1.00 40.01 C ATOM 1464 CG2 VAL A 100 15.238 -0.011 7.639 1.00 2.52 C ATOM 0 H VAL A 100 16.717 -3.800 7.522 1.00 31.54 H new ATOM 0 HA VAL A 100 14.055 -2.550 7.532 1.00 42.34 H new ATOM 0 HB VAL A 100 15.567 -1.519 9.106 1.00 32.30 H new ATOM 0 HG11 VAL A 100 17.759 -0.622 8.444 1.00 40.01 H new ATOM 0 HG12 VAL A 100 17.670 -2.385 8.215 1.00 40.01 H new ATOM 0 HG13 VAL A 100 17.539 -1.297 6.812 1.00 40.01 H new ATOM 0 HG21 VAL A 100 15.731 0.770 8.218 1.00 2.52 H new ATOM 0 HG22 VAL A 100 15.425 0.152 6.578 1.00 2.52 H new ATOM 0 HG23 VAL A 100 14.165 0.020 7.827 1.00 2.52 H new ATOM 1474 N VAL A 101 14.052 -2.125 5.089 1.00 12.41 N ATOM 1475 CA VAL A 101 14.006 -1.822 3.664 1.00 51.23 C ATOM 1476 C VAL A 101 13.774 -0.334 3.425 1.00 21.01 C ATOM 1477 O VAL A 101 12.795 0.237 3.903 1.00 32.11 O ATOM 1478 CB VAL A 101 12.897 -2.623 2.955 1.00 4.12 C ATOM 1479 CG1 VAL A 101 13.267 -4.097 2.882 1.00 10.40 C ATOM 1480 CG2 VAL A 101 11.566 -2.433 3.666 1.00 21.34 C ATOM 0 H VAL A 101 13.141 -2.300 5.513 1.00 12.41 H new ATOM 0 HA VAL A 101 14.973 -2.107 3.249 1.00 51.23 H new ATOM 0 HB VAL A 101 12.795 -2.248 1.937 1.00 4.12 H new ATOM 0 HG11 VAL A 101 12.472 -4.647 2.378 1.00 10.40 H new ATOM 0 HG12 VAL A 101 14.197 -4.212 2.325 1.00 10.40 H new ATOM 0 HG13 VAL A 101 13.397 -4.490 3.890 1.00 10.40 H new ATOM 0 HG21 VAL A 101 10.794 -3.006 3.152 1.00 21.34 H new ATOM 0 HG22 VAL A 101 11.651 -2.781 4.696 1.00 21.34 H new ATOM 0 HG23 VAL A 101 11.298 -1.376 3.661 1.00 21.34 H new ATOM 1490 N GLY A 102 14.683 0.289 2.681 1.00 0.21 N ATOM 1491 CA GLY A 102 14.560 1.706 2.391 1.00 34.23 C ATOM 1492 C GLY A 102 14.152 1.970 0.956 1.00 53.54 C ATOM 1493 O GLY A 102 14.930 1.740 0.031 1.00 74.34 O ATOM 0 H GLY A 102 15.502 -0.162 2.274 1.00 0.21 H new ATOM 0 HA2 GLY A 102 13.824 2.149 3.062 1.00 34.23 H new ATOM 0 HA3 GLY A 102 15.511 2.199 2.592 1.00 34.23 H new ATOM 1497 N GLU A 103 12.928 2.455 0.769 1.00 34.53 N ATOM 1498 CA GLU A 103 12.418 2.748 -0.565 1.00 33.20 C ATOM 1499 C GLU A 103 12.708 4.195 -0.952 1.00 62.04 C ATOM 1500 O GLU A 103 12.947 4.501 -2.121 1.00 65.34 O ATOM 1501 CB GLU A 103 10.912 2.484 -0.629 1.00 70.42 C ATOM 1502 CG GLU A 103 10.560 1.025 -0.866 1.00 74.34 C ATOM 1503 CD GLU A 103 11.370 0.080 0.000 1.00 12.55 C ATOM 1504 OE1 GLU A 103 12.559 -0.137 -0.312 1.00 23.40 O ATOM 1505 OE2 GLU A 103 10.815 -0.441 0.990 1.00 0.53 O ATOM 0 H GLU A 103 12.272 2.653 1.524 1.00 34.53 H new ATOM 0 HA GLU A 103 12.925 2.092 -1.272 1.00 33.20 H new ATOM 0 HB2 GLU A 103 10.454 2.813 0.304 1.00 70.42 H new ATOM 0 HB3 GLU A 103 10.479 3.088 -1.427 1.00 70.42 H new ATOM 0 HG2 GLU A 103 9.499 0.874 -0.667 1.00 74.34 H new ATOM 0 HG3 GLU A 103 10.725 0.781 -1.916 1.00 74.34 H new