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 22 THR OG1 : rot 180:sc= -0.244 USER MOD Set 1.2: A 55 GLN : amide:sc= -2.75 K(o=-3,f=-7.8!) USER MOD Set 2.1: A 18 SER OG : rot -81:sc= 0.872 USER MOD Set 2.2: A 20 CYS SG : rot -131:sc= 0.243 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 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 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : A 29 THR OG1 : rot -12:sc= 0.375! USER MOD Single : A 30 GLN : amide:sc= -4.37! C(o=-4.4!,f=-5.7!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -34:sc= 0.375 USER MOD Single : A 35 SER OG : rot 150:sc= -0.967 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 63 THR OG1 : rot 56:sc= 0.411 USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.386 USER MOD Single : A 71 ASN :FLIP amide:sc= 0.902 F(o=-1.4,f=0.9) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0609 USER MOD Single : A 77 HIS : no HD1:sc= -2.31 X(o=-2.3,f=-1.9) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 18:sc= 0.158 USER MOD Single : A 89 SER OG : rot -47:sc= 1.21 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 29:sc= 0.0561 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.341 0.000 0.000 1.00 3.00 N ATOM 2 CA PRO A 1 2.133 -0.001 -1.234 1.00 11.02 C ATOM 3 C PRO A 1 2.035 -1.325 -1.984 1.00 43.11 C ATOM 4 O PRO A 1 1.610 -2.337 -1.426 1.00 11.05 O ATOM 5 CB PRO A 1 3.563 0.229 -0.738 1.00 32.50 C ATOM 6 CG PRO A 1 3.564 -0.277 0.663 1.00 34.23 C ATOM 7 CD PRO A 1 2.188 0.000 1.204 1.00 4.45 C ATOM 0 H2 PRO A 1 0.734 -0.820 0.013 1.00 3.00 H new ATOM 0 H3 PRO A 1 0.735 0.820 0.013 1.00 3.00 H new ATOM 0 HA PRO A 1 1.787 0.752 -1.942 1.00 11.02 H new ATOM 0 HB2 PRO A 1 4.286 -0.307 -1.353 1.00 32.50 H new ATOM 0 HB3 PRO A 1 3.831 1.285 -0.778 1.00 32.50 H new ATOM 0 HG2 PRO A 1 3.788 -1.343 0.693 1.00 34.23 H new ATOM 0 HG3 PRO A 1 4.326 0.225 1.259 1.00 34.23 H new ATOM 0 HD2 PRO A 1 1.875 -0.764 1.915 1.00 4.45 H new ATOM 0 HD3 PRO A 1 2.146 0.957 1.725 1.00 4.45 H new ATOM 15 N LEU A 2 2.432 -1.312 -3.252 1.00 12.41 N ATOM 16 CA LEU A 2 2.390 -2.512 -4.079 1.00 74.34 C ATOM 17 C LEU A 2 3.280 -2.358 -5.308 1.00 71.33 C ATOM 18 O LEU A 2 3.512 -1.247 -5.785 1.00 44.13 O ATOM 19 CB LEU A 2 0.952 -2.808 -4.511 1.00 1.12 C ATOM 20 CG LEU A 2 0.220 -3.887 -3.712 1.00 11.32 C ATOM 21 CD1 LEU A 2 -0.972 -3.291 -2.978 1.00 64.21 C ATOM 22 CD2 LEU A 2 -0.226 -5.018 -4.627 1.00 41.20 C ATOM 0 H LEU A 2 2.787 -0.483 -3.729 1.00 12.41 H new ATOM 0 HA LEU A 2 2.764 -3.346 -3.485 1.00 74.34 H new ATOM 0 HB2 LEU A 2 0.377 -1.884 -4.447 1.00 1.12 H new ATOM 0 HB3 LEU A 2 0.963 -3.105 -5.560 1.00 1.12 H new ATOM 0 HG LEU A 2 0.909 -4.295 -2.973 1.00 11.32 H new ATOM 0 HD11 LEU A 2 -1.481 -4.073 -2.415 1.00 64.21 H new ATOM 0 HD12 LEU A 2 -0.627 -2.516 -2.293 1.00 64.21 H new ATOM 0 HD13 LEU A 2 -1.663 -2.856 -3.700 1.00 64.21 H new ATOM 0 HD21 LEU A 2 -0.745 -5.777 -4.041 1.00 41.20 H new ATOM 0 HD22 LEU A 2 -0.899 -4.625 -5.390 1.00 41.20 H new ATOM 0 HD23 LEU A 2 0.646 -5.463 -5.106 1.00 41.20 H new ATOM 34 N THR A 3 3.775 -3.482 -5.819 1.00 11.42 N ATOM 35 CA THR A 3 4.639 -3.472 -6.993 1.00 34.24 C ATOM 36 C THR A 3 4.163 -4.479 -8.033 1.00 72.34 C ATOM 37 O THR A 3 3.318 -5.329 -7.748 1.00 44.44 O ATOM 38 CB THR A 3 6.099 -3.789 -6.618 1.00 52.23 C ATOM 39 OG1 THR A 3 6.979 -3.341 -7.655 1.00 54.44 O ATOM 40 CG2 THR A 3 6.289 -5.282 -6.395 1.00 53.42 C ATOM 0 H THR A 3 3.592 -4.410 -5.438 1.00 11.42 H new ATOM 0 HA THR A 3 4.590 -2.468 -7.414 1.00 34.24 H new ATOM 0 HB THR A 3 6.334 -3.267 -5.691 1.00 52.23 H new ATOM 0 HG1 THR A 3 7.905 -3.545 -7.408 1.00 54.44 H new ATOM 0 HG21 THR A 3 7.328 -5.481 -6.131 1.00 53.42 H new ATOM 0 HG22 THR A 3 5.639 -5.615 -5.586 1.00 53.42 H new ATOM 0 HG23 THR A 3 6.037 -5.821 -7.308 1.00 53.42 H new ATOM 48 N ARG A 4 4.710 -4.380 -9.240 1.00 44.52 N ATOM 49 CA ARG A 4 4.341 -5.282 -10.324 1.00 20.22 C ATOM 50 C ARG A 4 4.962 -6.661 -10.118 1.00 75.02 C ATOM 51 O ARG A 4 5.925 -6.830 -9.371 1.00 44.11 O ATOM 52 CB ARG A 4 4.786 -4.707 -11.670 1.00 14.44 C ATOM 53 CG ARG A 4 3.673 -4.001 -12.428 1.00 2.35 C ATOM 54 CD ARG A 4 3.220 -2.741 -11.706 1.00 73.21 C ATOM 55 NE ARG A 4 3.357 -1.552 -12.542 1.00 51.15 N ATOM 56 CZ ARG A 4 3.331 -0.312 -12.067 1.00 13.13 C ATOM 57 NH1 ARG A 4 3.174 -0.100 -10.767 1.00 53.04 N ATOM 58 NH2 ARG A 4 3.462 0.719 -12.891 1.00 42.34 N ATOM 0 H ARG A 4 5.411 -3.683 -9.492 1.00 44.52 H new ATOM 0 HA ARG A 4 3.256 -5.386 -10.323 1.00 20.22 H new ATOM 0 HB2 ARG A 4 5.603 -4.005 -11.503 1.00 14.44 H new ATOM 0 HB3 ARG A 4 5.180 -5.514 -12.288 1.00 14.44 H new ATOM 0 HG2 ARG A 4 4.019 -3.744 -13.429 1.00 2.35 H new ATOM 0 HG3 ARG A 4 2.827 -4.677 -12.548 1.00 2.35 H new ATOM 0 HD2 ARG A 4 2.179 -2.852 -11.402 1.00 73.21 H new ATOM 0 HD3 ARG A 4 3.807 -2.614 -10.796 1.00 73.21 H new ATOM 0 HE ARG A 4 3.479 -1.681 -13.546 1.00 51.15 H new ATOM 0 HH11 ARG A 4 3.073 -0.890 -10.130 1.00 53.04 H new ATOM 0 HH12 ARG A 4 3.154 0.853 -10.404 1.00 53.04 H new ATOM 0 HH21 ARG A 4 3.583 0.560 -13.891 1.00 42.34 H new ATOM 0 HH22 ARG A 4 3.442 1.671 -12.524 1.00 42.34 H new ATOM 72 N PRO A 5 4.397 -7.671 -10.796 1.00 33.41 N ATOM 73 CA PRO A 5 4.878 -9.053 -10.704 1.00 0.00 C ATOM 74 C PRO A 5 6.238 -9.238 -11.368 1.00 61.40 C ATOM 75 O PRO A 5 6.330 -9.746 -12.486 1.00 52.11 O ATOM 76 CB PRO A 5 3.806 -9.852 -11.449 1.00 31.43 C ATOM 77 CG PRO A 5 3.196 -8.877 -12.395 1.00 73.45 C ATOM 78 CD PRO A 5 3.245 -7.543 -11.704 1.00 50.24 C ATOM 0 HA PRO A 5 5.021 -9.367 -9.670 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.241 -10.699 -11.979 1.00 31.43 H new ATOM 0 HB3 PRO A 5 3.062 -10.254 -10.761 1.00 31.43 H new ATOM 0 HG2 PRO A 5 3.746 -8.850 -13.336 1.00 73.45 H new ATOM 0 HG3 PRO A 5 2.170 -9.155 -12.634 1.00 73.45 H new ATOM 0 HD2 PRO A 5 3.382 -6.727 -12.414 1.00 50.24 H new ATOM 0 HD3 PRO A 5 2.324 -7.339 -11.158 1.00 50.24 H new ATOM 86 N TYR A 6 7.292 -8.825 -10.673 1.00 53.30 N ATOM 87 CA TYR A 6 8.647 -8.944 -11.197 1.00 3.43 C ATOM 88 C TYR A 6 9.535 -9.731 -10.238 1.00 34.53 C ATOM 89 O TYR A 6 9.555 -9.470 -9.034 1.00 52.43 O ATOM 90 CB TYR A 6 9.246 -7.557 -11.440 1.00 72.24 C ATOM 91 CG TYR A 6 9.865 -7.397 -12.811 1.00 34.13 C ATOM 92 CD1 TYR A 6 9.090 -7.037 -13.907 1.00 33.35 C ATOM 93 CD2 TYR A 6 11.224 -7.607 -13.010 1.00 15.41 C ATOM 94 CE1 TYR A 6 9.650 -6.890 -15.161 1.00 24.54 C ATOM 95 CE2 TYR A 6 11.793 -7.461 -14.260 1.00 0.30 C ATOM 96 CZ TYR A 6 11.002 -7.103 -15.332 1.00 44.21 C ATOM 97 OH TYR A 6 11.566 -6.958 -16.579 1.00 53.22 O ATOM 0 H TYR A 6 7.234 -8.405 -9.745 1.00 53.30 H new ATOM 0 HA TYR A 6 8.597 -9.483 -12.143 1.00 3.43 H new ATOM 0 HB2 TYR A 6 8.466 -6.806 -11.313 1.00 72.24 H new ATOM 0 HB3 TYR A 6 10.005 -7.360 -10.683 1.00 72.24 H new ATOM 0 HD1 TYR A 6 8.031 -6.869 -13.776 1.00 33.35 H new ATOM 0 HD2 TYR A 6 11.846 -7.889 -12.173 1.00 15.41 H new ATOM 0 HE1 TYR A 6 9.033 -6.610 -16.002 1.00 24.54 H new ATOM 0 HE2 TYR A 6 12.851 -7.626 -14.397 1.00 0.30 H new ATOM 0 HH TYR A 6 12.527 -7.143 -16.527 1.00 53.22 H new ATOM 107 N LEU A 7 10.268 -10.698 -10.780 1.00 11.45 N ATOM 108 CA LEU A 7 11.159 -11.525 -9.974 1.00 2.02 C ATOM 109 C LEU A 7 12.618 -11.264 -10.334 1.00 62.20 C ATOM 110 O LEU A 7 13.012 -11.379 -11.494 1.00 11.11 O ATOM 111 CB LEU A 7 10.830 -13.006 -10.171 1.00 40.33 C ATOM 112 CG LEU A 7 10.598 -13.455 -11.614 1.00 62.13 C ATOM 113 CD1 LEU A 7 11.319 -14.766 -11.887 1.00 60.15 C ATOM 114 CD2 LEU A 7 9.109 -13.594 -11.897 1.00 44.01 C ATOM 0 H LEU A 7 10.263 -10.928 -11.774 1.00 11.45 H new ATOM 0 HA LEU A 7 11.010 -11.262 -8.927 1.00 2.02 H new ATOM 0 HB2 LEU A 7 11.645 -13.597 -9.754 1.00 40.33 H new ATOM 0 HB3 LEU A 7 9.937 -13.240 -9.591 1.00 40.33 H new ATOM 0 HG LEU A 7 11.004 -12.694 -12.281 1.00 62.13 H new ATOM 0 HD11 LEU A 7 11.143 -15.070 -12.919 1.00 60.15 H new ATOM 0 HD12 LEU A 7 12.389 -14.633 -11.726 1.00 60.15 H new ATOM 0 HD13 LEU A 7 10.943 -15.535 -11.213 1.00 60.15 H new ATOM 0 HD21 LEU A 7 8.963 -13.914 -12.929 1.00 44.01 H new ATOM 0 HD22 LEU A 7 8.678 -14.334 -11.223 1.00 44.01 H new ATOM 0 HD23 LEU A 7 8.618 -12.633 -11.743 1.00 44.01 H new ATOM 126 N GLY A 8 13.417 -10.914 -9.330 1.00 61.53 N ATOM 127 CA GLY A 8 14.824 -10.645 -9.561 1.00 62.14 C ATOM 128 C GLY A 8 15.728 -11.514 -8.710 1.00 24.21 C ATOM 129 O GLY A 8 16.700 -11.030 -8.129 1.00 51.11 O ATOM 0 H GLY A 8 13.115 -10.812 -8.361 1.00 61.53 H new ATOM 0 HA2 GLY A 8 15.054 -10.809 -10.614 1.00 62.14 H new ATOM 0 HA3 GLY A 8 15.030 -9.596 -9.349 1.00 62.14 H new ATOM 133 N PHE A 9 15.408 -12.802 -8.634 1.00 2.35 N ATOM 134 CA PHE A 9 16.197 -13.740 -7.844 1.00 63.23 C ATOM 135 C PHE A 9 15.864 -15.181 -8.219 1.00 73.23 C ATOM 136 O PHE A 9 14.904 -15.438 -8.946 1.00 62.35 O ATOM 137 CB PHE A 9 15.948 -13.519 -6.351 1.00 20.21 C ATOM 138 CG PHE A 9 14.501 -13.623 -5.963 1.00 32.21 C ATOM 139 CD1 PHE A 9 13.635 -12.563 -6.176 1.00 53.02 C ATOM 140 CD2 PHE A 9 14.006 -14.781 -5.384 1.00 65.23 C ATOM 141 CE1 PHE A 9 12.302 -12.655 -5.821 1.00 22.53 C ATOM 142 CE2 PHE A 9 12.675 -14.880 -5.027 1.00 50.42 C ATOM 143 CZ PHE A 9 11.822 -13.815 -5.244 1.00 61.15 C ATOM 0 H PHE A 9 14.608 -13.220 -9.110 1.00 2.35 H new ATOM 0 HA PHE A 9 17.250 -13.561 -8.059 1.00 63.23 H new ATOM 0 HB2 PHE A 9 16.522 -14.251 -5.783 1.00 20.21 H new ATOM 0 HB3 PHE A 9 16.321 -12.534 -6.070 1.00 20.21 H new ATOM 0 HD1 PHE A 9 14.006 -11.653 -6.625 1.00 53.02 H new ATOM 0 HD2 PHE A 9 14.669 -15.616 -5.210 1.00 65.23 H new ATOM 0 HE1 PHE A 9 11.637 -11.822 -5.994 1.00 22.53 H new ATOM 0 HE2 PHE A 9 12.302 -15.789 -4.579 1.00 50.42 H new ATOM 0 HZ PHE A 9 10.782 -13.889 -4.963 1.00 61.15 H new ATOM 153 N ARG A 10 16.663 -16.117 -7.718 1.00 44.01 N ATOM 154 CA ARG A 10 16.455 -17.532 -8.001 1.00 51.24 C ATOM 155 C ARG A 10 16.069 -18.289 -6.734 1.00 54.11 C ATOM 156 O ARG A 10 16.577 -18.005 -5.649 1.00 54.33 O ATOM 157 CB ARG A 10 17.719 -18.144 -8.609 1.00 13.24 C ATOM 158 CG ARG A 10 17.675 -18.254 -10.124 1.00 14.40 C ATOM 159 CD ARG A 10 18.290 -19.558 -10.606 1.00 42.21 C ATOM 160 NE ARG A 10 17.810 -19.932 -11.934 1.00 2.23 N ATOM 161 CZ ARG A 10 17.959 -21.145 -12.454 1.00 52.22 C ATOM 162 NH1 ARG A 10 18.570 -22.096 -11.762 1.00 64.34 N ATOM 163 NH2 ARG A 10 17.495 -21.408 -13.669 1.00 75.40 N ATOM 0 H ARG A 10 17.461 -15.921 -7.114 1.00 44.01 H new ATOM 0 HA ARG A 10 15.638 -17.617 -8.717 1.00 51.24 H new ATOM 0 HB2 ARG A 10 18.579 -17.539 -8.322 1.00 13.24 H new ATOM 0 HB3 ARG A 10 17.872 -19.137 -8.185 1.00 13.24 H new ATOM 0 HG2 ARG A 10 16.642 -18.190 -10.465 1.00 14.40 H new ATOM 0 HG3 ARG A 10 18.209 -17.413 -10.567 1.00 14.40 H new ATOM 0 HD2 ARG A 10 19.375 -19.461 -10.627 1.00 42.21 H new ATOM 0 HD3 ARG A 10 18.055 -20.353 -9.898 1.00 42.21 H new ATOM 0 HE ARG A 10 17.335 -19.223 -12.492 1.00 2.23 H new ATOM 0 HH11 ARG A 10 18.927 -21.897 -10.828 1.00 64.34 H new ATOM 0 HH12 ARG A 10 18.683 -23.027 -12.164 1.00 64.34 H new ATOM 0 HH21 ARG A 10 17.024 -20.678 -14.204 1.00 75.40 H new ATOM 0 HH22 ARG A 10 17.610 -22.340 -14.068 1.00 75.40 H new ATOM 177 N VAL A 11 15.166 -19.254 -6.879 1.00 50.13 N ATOM 178 CA VAL A 11 14.712 -20.052 -5.747 1.00 73.31 C ATOM 179 C VAL A 11 14.691 -21.537 -6.094 1.00 41.45 C ATOM 180 O VAL A 11 14.165 -21.934 -7.133 1.00 70.15 O ATOM 181 CB VAL A 11 13.305 -19.625 -5.287 1.00 4.51 C ATOM 182 CG1 VAL A 11 13.308 -18.170 -4.843 1.00 3.30 C ATOM 183 CG2 VAL A 11 12.290 -19.850 -6.397 1.00 44.34 C ATOM 0 H VAL A 11 14.735 -19.502 -7.770 1.00 50.13 H new ATOM 0 HA VAL A 11 15.420 -19.881 -4.936 1.00 73.31 H new ATOM 0 HB VAL A 11 13.018 -20.240 -4.434 1.00 4.51 H new ATOM 0 HG11 VAL A 11 12.306 -17.886 -4.521 1.00 3.30 H new ATOM 0 HG12 VAL A 11 14.005 -18.044 -4.014 1.00 3.30 H new ATOM 0 HG13 VAL A 11 13.616 -17.536 -5.675 1.00 3.30 H new ATOM 0 HG21 VAL A 11 11.302 -19.543 -6.054 1.00 44.34 H new ATOM 0 HG22 VAL A 11 12.570 -19.262 -7.271 1.00 44.34 H new ATOM 0 HG23 VAL A 11 12.270 -20.907 -6.663 1.00 44.34 H new ATOM 193 N ALA A 12 15.267 -22.352 -5.217 1.00 62.02 N ATOM 194 CA ALA A 12 15.313 -23.793 -5.430 1.00 31.34 C ATOM 195 C ALA A 12 14.634 -24.539 -4.286 1.00 12.34 C ATOM 196 O ALA A 12 15.007 -24.384 -3.123 1.00 20.43 O ATOM 197 CB ALA A 12 16.753 -24.259 -5.584 1.00 3.41 C ATOM 0 H ALA A 12 15.708 -22.039 -4.352 1.00 62.02 H new ATOM 0 HA ALA A 12 14.770 -24.016 -6.348 1.00 31.34 H new ATOM 0 HB1 ALA A 12 16.772 -25.337 -5.742 1.00 3.41 H new ATOM 0 HB2 ALA A 12 17.208 -23.759 -6.439 1.00 3.41 H new ATOM 0 HB3 ALA A 12 17.313 -24.015 -4.681 1.00 3.41 H new ATOM 203 N VAL A 13 13.634 -25.347 -4.623 1.00 51.00 N ATOM 204 CA VAL A 13 12.903 -26.117 -3.624 1.00 13.22 C ATOM 205 C VAL A 13 13.675 -27.368 -3.220 1.00 42.34 C ATOM 206 O VAL A 13 13.994 -28.211 -4.058 1.00 54.51 O ATOM 207 CB VAL A 13 11.512 -26.530 -4.141 1.00 11.02 C ATOM 208 CG1 VAL A 13 11.634 -27.289 -5.453 1.00 51.03 C ATOM 209 CG2 VAL A 13 10.783 -27.364 -3.099 1.00 32.44 C ATOM 0 H VAL A 13 13.311 -25.485 -5.581 1.00 51.00 H new ATOM 0 HA VAL A 13 12.782 -25.472 -2.754 1.00 13.22 H new ATOM 0 HB VAL A 13 10.929 -25.628 -4.324 1.00 11.02 H new ATOM 0 HG11 VAL A 13 10.641 -27.573 -5.803 1.00 51.03 H new ATOM 0 HG12 VAL A 13 12.113 -26.654 -6.198 1.00 51.03 H new ATOM 0 HG13 VAL A 13 12.235 -28.186 -5.300 1.00 51.03 H new ATOM 0 HG21 VAL A 13 9.802 -27.647 -3.481 1.00 32.44 H new ATOM 0 HG22 VAL A 13 11.361 -28.262 -2.882 1.00 32.44 H new ATOM 0 HG23 VAL A 13 10.662 -26.781 -2.186 1.00 32.44 H new ATOM 219 N GLY A 14 13.973 -27.482 -1.930 1.00 25.23 N ATOM 220 CA GLY A 14 14.706 -28.634 -1.437 1.00 2.21 C ATOM 221 C GLY A 14 14.427 -28.916 0.026 1.00 71.21 C ATOM 222 O GLY A 14 13.380 -28.535 0.550 1.00 72.34 O ATOM 0 H GLY A 14 13.720 -26.798 -1.217 1.00 25.23 H new ATOM 0 HA2 GLY A 14 14.441 -29.510 -2.030 1.00 2.21 H new ATOM 0 HA3 GLY A 14 15.774 -28.467 -1.574 1.00 2.21 H new ATOM 226 N ARG A 15 15.364 -29.587 0.687 1.00 64.30 N ATOM 227 CA ARG A 15 15.213 -29.923 2.098 1.00 74.05 C ATOM 228 C ARG A 15 16.479 -29.582 2.877 1.00 1.41 C ATOM 229 O ARG A 15 17.592 -29.823 2.409 1.00 30.13 O ATOM 230 CB ARG A 15 14.887 -31.409 2.258 1.00 63.23 C ATOM 231 CG ARG A 15 13.825 -31.908 1.291 1.00 3.15 C ATOM 232 CD ARG A 15 12.475 -31.265 1.568 1.00 60.34 C ATOM 233 NE ARG A 15 11.676 -32.052 2.504 1.00 52.54 N ATOM 234 CZ ARG A 15 11.069 -33.187 2.178 1.00 72.31 C ATOM 235 NH1 ARG A 15 11.170 -33.667 0.946 1.00 32.31 N ATOM 236 NH2 ARG A 15 10.359 -33.846 3.086 1.00 43.34 N ATOM 0 H ARG A 15 16.236 -29.909 0.268 1.00 64.30 H new ATOM 0 HA ARG A 15 14.390 -29.332 2.500 1.00 74.05 H new ATOM 0 HB2 ARG A 15 15.798 -31.990 2.115 1.00 63.23 H new ATOM 0 HB3 ARG A 15 14.551 -31.591 3.279 1.00 63.23 H new ATOM 0 HG2 ARG A 15 14.131 -31.689 0.268 1.00 3.15 H new ATOM 0 HG3 ARG A 15 13.737 -32.991 1.372 1.00 3.15 H new ATOM 0 HD2 ARG A 15 12.626 -30.264 1.973 1.00 60.34 H new ATOM 0 HD3 ARG A 15 11.929 -31.151 0.632 1.00 60.34 H new ATOM 0 HE ARG A 15 11.579 -31.711 3.460 1.00 52.54 H new ATOM 0 HH11 ARG A 15 11.715 -33.164 0.246 1.00 32.31 H new ATOM 0 HH12 ARG A 15 10.703 -34.539 0.699 1.00 32.31 H new ATOM 0 HH21 ARG A 15 10.279 -33.480 4.035 1.00 43.34 H new ATOM 0 HH22 ARG A 15 9.893 -34.718 2.835 1.00 43.34 H new ATOM 250 N ASP A 16 16.301 -29.019 4.067 1.00 3.40 N ATOM 251 CA ASP A 16 17.429 -28.644 4.912 1.00 23.30 C ATOM 252 C ASP A 16 17.683 -29.703 5.980 1.00 21.42 C ATOM 253 O ASP A 16 17.022 -30.742 6.008 1.00 4.44 O ATOM 254 CB ASP A 16 17.172 -27.288 5.572 1.00 62.45 C ATOM 255 CG ASP A 16 15.766 -27.172 6.126 1.00 50.42 C ATOM 256 OD1 ASP A 16 15.613 -27.191 7.365 1.00 31.03 O ATOM 257 OD2 ASP A 16 14.819 -27.060 5.320 1.00 14.13 O ATOM 0 H ASP A 16 15.386 -28.812 4.468 1.00 3.40 H new ATOM 0 HA ASP A 16 18.315 -28.570 4.281 1.00 23.30 H new ATOM 0 HB2 ASP A 16 17.891 -27.137 6.378 1.00 62.45 H new ATOM 0 HB3 ASP A 16 17.339 -26.495 4.843 1.00 62.45 H new ATOM 262 N SER A 17 18.645 -29.434 6.857 1.00 43.13 N ATOM 263 CA SER A 17 18.990 -30.366 7.924 1.00 41.20 C ATOM 264 C SER A 17 17.786 -30.634 8.821 1.00 14.34 C ATOM 265 O SER A 17 17.690 -31.686 9.453 1.00 72.13 O ATOM 266 CB SER A 17 20.149 -29.814 8.757 1.00 35.12 C ATOM 267 OG SER A 17 20.639 -30.791 9.659 1.00 71.23 O ATOM 0 H SER A 17 19.199 -28.578 6.850 1.00 43.13 H new ATOM 0 HA SER A 17 19.297 -31.307 7.467 1.00 41.20 H new ATOM 0 HB2 SER A 17 20.953 -29.488 8.097 1.00 35.12 H new ATOM 0 HB3 SER A 17 19.817 -28.936 9.312 1.00 35.12 H new ATOM 0 HG SER A 17 21.380 -30.414 10.178 1.00 71.23 H new ATOM 273 N SER A 18 16.868 -29.673 8.872 1.00 24.14 N ATOM 274 CA SER A 18 15.671 -29.802 9.695 1.00 23.10 C ATOM 275 C SER A 18 14.554 -30.499 8.923 1.00 5.54 C ATOM 276 O SER A 18 13.890 -31.393 9.444 1.00 74.43 O ATOM 277 CB SER A 18 15.199 -28.425 10.166 1.00 65.12 C ATOM 278 OG SER A 18 14.047 -28.010 9.453 1.00 2.42 O ATOM 0 H SER A 18 16.931 -28.797 8.353 1.00 24.14 H new ATOM 0 HA SER A 18 15.922 -30.409 10.565 1.00 23.10 H new ATOM 0 HB2 SER A 18 14.978 -28.458 11.233 1.00 65.12 H new ATOM 0 HB3 SER A 18 15.998 -27.696 10.028 1.00 65.12 H new ATOM 0 HG SER A 18 14.315 -27.638 8.587 1.00 2.42 H new ATOM 284 N GLY A 19 14.354 -30.080 7.677 1.00 23.02 N ATOM 285 CA GLY A 19 13.318 -30.673 6.853 1.00 74.20 C ATOM 286 C GLY A 19 11.984 -29.970 7.004 1.00 55.42 C ATOM 287 O GLY A 19 10.986 -30.589 7.376 1.00 41.11 O ATOM 0 H GLY A 19 14.891 -29.341 7.224 1.00 23.02 H new ATOM 0 HA2 GLY A 19 13.626 -30.640 5.808 1.00 74.20 H new ATOM 0 HA3 GLY A 19 13.204 -31.724 7.119 1.00 74.20 H new ATOM 291 N CYS A 20 11.965 -28.673 6.716 1.00 13.14 N ATOM 292 CA CYS A 20 10.743 -27.883 6.825 1.00 70.44 C ATOM 293 C CYS A 20 10.275 -27.415 5.451 1.00 50.23 C ATOM 294 O CYS A 20 9.384 -26.572 5.340 1.00 42.43 O ATOM 295 CB CYS A 20 10.969 -26.678 7.738 1.00 2.02 C ATOM 296 SG CYS A 20 10.696 -27.020 9.493 1.00 44.14 S ATOM 0 H CYS A 20 12.781 -28.146 6.405 1.00 13.14 H new ATOM 0 HA CYS A 20 9.968 -28.516 7.257 1.00 70.44 H new ATOM 0 HB2 CYS A 20 11.990 -26.320 7.603 1.00 2.02 H new ATOM 0 HB3 CYS A 20 10.305 -25.871 7.428 1.00 2.02 H new ATOM 0 HG CYS A 20 9.922 -26.106 9.998 1.00 44.14 H new ATOM 302 N THR A 21 10.883 -27.966 4.404 1.00 14.14 N ATOM 303 CA THR A 21 10.531 -27.603 3.038 1.00 53.24 C ATOM 304 C THR A 21 10.630 -26.096 2.826 1.00 70.40 C ATOM 305 O THR A 21 9.643 -25.373 2.963 1.00 11.21 O ATOM 306 CB THR A 21 9.106 -28.067 2.682 1.00 14.12 C ATOM 307 OG1 THR A 21 8.940 -29.447 3.025 1.00 62.43 O ATOM 308 CG2 THR A 21 8.826 -27.870 1.200 1.00 42.11 C ATOM 0 H THR A 21 11.622 -28.665 4.477 1.00 14.14 H new ATOM 0 HA THR A 21 11.243 -28.107 2.384 1.00 53.24 H new ATOM 0 HB THR A 21 8.399 -27.464 3.252 1.00 14.12 H new ATOM 0 HG1 THR A 21 8.031 -29.734 2.797 1.00 62.43 H new ATOM 0 HG21 THR A 21 7.814 -28.205 0.973 1.00 42.11 H new ATOM 0 HG22 THR A 21 8.924 -26.814 0.949 1.00 42.11 H new ATOM 0 HG23 THR A 21 9.540 -28.450 0.615 1.00 42.11 H new ATOM 316 N THR A 22 11.828 -25.628 2.490 1.00 21.21 N ATOM 317 CA THR A 22 12.056 -24.207 2.260 1.00 64.32 C ATOM 318 C THR A 22 12.887 -23.981 1.002 1.00 41.31 C ATOM 319 O THR A 22 13.603 -24.875 0.549 1.00 50.12 O ATOM 320 CB THR A 22 12.769 -23.552 3.457 1.00 5.43 C ATOM 321 OG1 THR A 22 13.226 -22.243 3.099 1.00 41.42 O ATOM 322 CG2 THR A 22 13.948 -24.398 3.915 1.00 40.31 C ATOM 0 H THR A 22 12.655 -26.213 2.371 1.00 21.21 H new ATOM 0 HA THR A 22 11.077 -23.746 2.133 1.00 64.32 H new ATOM 0 HB THR A 22 12.056 -23.476 4.278 1.00 5.43 H new ATOM 0 HG1 THR A 22 13.677 -21.833 3.866 1.00 41.42 H new ATOM 0 HG21 THR A 22 14.436 -23.915 4.762 1.00 40.31 H new ATOM 0 HG22 THR A 22 13.593 -25.384 4.215 1.00 40.31 H new ATOM 0 HG23 THR A 22 14.661 -24.502 3.097 1.00 40.31 H new ATOM 330 N LEU A 23 12.788 -22.780 0.442 1.00 65.21 N ATOM 331 CA LEU A 23 13.532 -22.435 -0.765 1.00 23.42 C ATOM 332 C LEU A 23 14.705 -21.517 -0.438 1.00 1.44 C ATOM 333 O LEU A 23 14.544 -20.510 0.252 1.00 41.42 O ATOM 334 CB LEU A 23 12.609 -21.761 -1.781 1.00 44.03 C ATOM 335 CG LEU A 23 11.587 -22.669 -2.466 1.00 30.05 C ATOM 336 CD1 LEU A 23 10.338 -22.808 -1.609 1.00 4.25 C ATOM 337 CD2 LEU A 23 11.233 -22.130 -3.844 1.00 11.22 C ATOM 0 H LEU A 23 12.200 -22.029 0.804 1.00 65.21 H new ATOM 0 HA LEU A 23 13.925 -23.356 -1.196 1.00 23.42 H new ATOM 0 HB2 LEU A 23 12.071 -20.958 -1.277 1.00 44.03 H new ATOM 0 HB3 LEU A 23 13.226 -21.297 -2.550 1.00 44.03 H new ATOM 0 HG LEU A 23 12.031 -23.657 -2.588 1.00 30.05 H new ATOM 0 HD11 LEU A 23 9.622 -23.458 -2.112 1.00 4.25 H new ATOM 0 HD12 LEU A 23 10.605 -23.240 -0.645 1.00 4.25 H new ATOM 0 HD13 LEU A 23 9.891 -21.826 -1.455 1.00 4.25 H new ATOM 0 HD21 LEU A 23 10.505 -22.789 -4.316 1.00 11.22 H new ATOM 0 HD22 LEU A 23 10.808 -21.131 -3.746 1.00 11.22 H new ATOM 0 HD23 LEU A 23 12.132 -22.083 -4.458 1.00 11.22 H new ATOM 349 N SER A 24 15.884 -21.870 -0.939 1.00 5.32 N ATOM 350 CA SER A 24 17.085 -21.078 -0.699 1.00 1.35 C ATOM 351 C SER A 24 17.311 -20.077 -1.828 1.00 13.12 C ATOM 352 O SER A 24 17.004 -20.354 -2.988 1.00 22.13 O ATOM 353 CB SER A 24 18.305 -21.991 -0.560 1.00 13.10 C ATOM 354 OG SER A 24 19.093 -21.622 0.558 1.00 25.21 O ATOM 0 H SER A 24 16.034 -22.699 -1.514 1.00 5.32 H new ATOM 0 HA SER A 24 16.946 -20.526 0.230 1.00 1.35 H new ATOM 0 HB2 SER A 24 17.979 -23.026 -0.453 1.00 13.10 H new ATOM 0 HB3 SER A 24 18.908 -21.939 -1.467 1.00 13.10 H new ATOM 0 HG SER A 24 19.865 -22.221 0.626 1.00 25.21 H new ATOM 360 N ILE A 25 17.848 -18.913 -1.479 1.00 43.14 N ATOM 361 CA ILE A 25 18.116 -17.871 -2.463 1.00 2.12 C ATOM 362 C ILE A 25 19.564 -17.922 -2.937 1.00 45.03 C ATOM 363 O ILE A 25 20.490 -17.985 -2.129 1.00 2.21 O ATOM 364 CB ILE A 25 17.824 -16.470 -1.893 1.00 75.30 C ATOM 365 CG1 ILE A 25 16.451 -16.447 -1.217 1.00 60.41 C ATOM 366 CG2 ILE A 25 17.895 -15.424 -2.996 1.00 34.54 C ATOM 367 CD1 ILE A 25 15.317 -16.839 -2.139 1.00 1.53 C ATOM 0 H ILE A 25 18.106 -18.668 -0.523 1.00 43.14 H new ATOM 0 HA ILE A 25 17.453 -18.057 -3.308 1.00 2.12 H new ATOM 0 HB ILE A 25 18.581 -16.233 -1.145 1.00 75.30 H new ATOM 0 HG12 ILE A 25 16.464 -17.124 -0.363 1.00 60.41 H new ATOM 0 HG13 ILE A 25 16.263 -15.446 -0.828 1.00 60.41 H new ATOM 0 HG21 ILE A 25 17.686 -14.439 -2.578 1.00 34.54 H new ATOM 0 HG22 ILE A 25 18.892 -15.427 -3.437 1.00 34.54 H new ATOM 0 HG23 ILE A 25 17.158 -15.655 -3.765 1.00 34.54 H new ATOM 0 HD11 ILE A 25 14.374 -16.801 -1.593 1.00 1.53 H new ATOM 0 HD12 ILE A 25 15.277 -16.148 -2.981 1.00 1.53 H new ATOM 0 HD13 ILE A 25 15.481 -17.851 -2.508 1.00 1.53 H new ATOM 379 N GLN A 26 19.752 -17.893 -4.253 1.00 11.22 N ATOM 380 CA GLN A 26 21.088 -17.935 -4.835 1.00 2.33 C ATOM 381 C GLN A 26 21.521 -16.550 -5.305 1.00 11.25 C ATOM 382 O GLN A 26 22.713 -16.261 -5.400 1.00 24.53 O ATOM 383 CB GLN A 26 21.127 -18.919 -6.005 1.00 41.42 C ATOM 384 CG GLN A 26 20.996 -20.373 -5.582 1.00 41.12 C ATOM 385 CD GLN A 26 19.831 -21.073 -6.253 1.00 62.34 C ATOM 386 OE1 GLN A 26 20.013 -22.057 -6.971 1.00 45.03 O ATOM 387 NE2 GLN A 26 18.625 -20.569 -6.023 1.00 34.21 N ATOM 0 H GLN A 26 18.996 -17.841 -4.936 1.00 11.22 H new ATOM 0 HA GLN A 26 21.782 -18.270 -4.064 1.00 2.33 H new ATOM 0 HB2 GLN A 26 20.322 -18.677 -6.699 1.00 41.42 H new ATOM 0 HB3 GLN A 26 22.064 -18.790 -6.546 1.00 41.42 H new ATOM 0 HG2 GLN A 26 21.919 -20.901 -5.821 1.00 41.12 H new ATOM 0 HG3 GLN A 26 20.871 -20.423 -4.500 1.00 41.12 H new ATOM 0 HE21 GLN A 26 18.520 -19.752 -5.421 1.00 34.21 H new ATOM 0 HE22 GLN A 26 17.803 -20.999 -6.448 1.00 34.21 H new ATOM 396 N GLU A 27 20.544 -15.697 -5.597 1.00 73.32 N ATOM 397 CA GLU A 27 20.825 -14.343 -6.059 1.00 1.15 C ATOM 398 C GLU A 27 20.381 -13.313 -5.024 1.00 54.44 C ATOM 399 O GLU A 27 20.002 -13.662 -3.906 1.00 72.13 O ATOM 400 CB GLU A 27 20.123 -14.079 -7.392 1.00 44.53 C ATOM 401 CG GLU A 27 21.068 -13.647 -8.502 1.00 34.12 C ATOM 402 CD GLU A 27 21.434 -14.787 -9.432 1.00 72.03 C ATOM 403 OE1 GLU A 27 21.415 -15.951 -8.980 1.00 2.14 O ATOM 404 OE2 GLU A 27 21.739 -14.516 -10.612 1.00 40.23 O ATOM 0 H GLU A 27 19.551 -15.920 -5.522 1.00 73.32 H new ATOM 0 HA GLU A 27 21.902 -14.250 -6.200 1.00 1.15 H new ATOM 0 HB2 GLU A 27 19.600 -14.983 -7.703 1.00 44.53 H new ATOM 0 HB3 GLU A 27 19.367 -13.307 -7.248 1.00 44.53 H new ATOM 0 HG2 GLU A 27 20.604 -12.847 -9.079 1.00 34.12 H new ATOM 0 HG3 GLU A 27 21.976 -13.236 -8.061 1.00 34.12 H new ATOM 411 N VAL A 28 20.430 -12.040 -5.406 1.00 63.30 N ATOM 412 CA VAL A 28 20.033 -10.958 -4.513 1.00 73.23 C ATOM 413 C VAL A 28 18.659 -10.413 -4.888 1.00 43.14 C ATOM 414 O VAL A 28 18.413 -10.059 -6.042 1.00 12.11 O ATOM 415 CB VAL A 28 21.055 -9.806 -4.538 1.00 34.10 C ATOM 416 CG1 VAL A 28 20.771 -8.816 -3.418 1.00 72.43 C ATOM 417 CG2 VAL A 28 22.472 -10.349 -4.434 1.00 72.21 C ATOM 0 H VAL A 28 20.741 -11.733 -6.328 1.00 63.30 H new ATOM 0 HA VAL A 28 19.993 -11.376 -3.507 1.00 73.23 H new ATOM 0 HB VAL A 28 20.961 -9.280 -5.488 1.00 34.10 H new ATOM 0 HG11 VAL A 28 21.503 -8.009 -3.451 1.00 72.43 H new ATOM 0 HG12 VAL A 28 19.770 -8.403 -3.542 1.00 72.43 H new ATOM 0 HG13 VAL A 28 20.836 -9.326 -2.457 1.00 72.43 H new ATOM 0 HG21 VAL A 28 23.181 -9.521 -4.453 1.00 72.21 H new ATOM 0 HG22 VAL A 28 22.583 -10.900 -3.500 1.00 72.21 H new ATOM 0 HG23 VAL A 28 22.669 -11.015 -5.274 1.00 72.21 H new ATOM 427 N THR A 29 17.766 -10.347 -3.906 1.00 21.02 N ATOM 428 CA THR A 29 16.417 -9.845 -4.132 1.00 74.41 C ATOM 429 C THR A 29 16.168 -8.562 -3.348 1.00 23.24 C ATOM 430 O THR A 29 15.183 -7.863 -3.581 1.00 34.25 O ATOM 431 CB THR A 29 15.355 -10.889 -3.736 1.00 25.30 C ATOM 432 OG1 THR A 29 14.055 -10.290 -3.736 1.00 31.10 O ATOM 433 CG2 THR A 29 15.653 -11.468 -2.361 1.00 33.21 C ATOM 0 H THR A 29 17.953 -10.635 -2.946 1.00 21.02 H new ATOM 0 HA THR A 29 16.333 -9.638 -5.199 1.00 74.41 H new ATOM 0 HB THR A 29 15.381 -11.697 -4.467 1.00 25.30 H new ATOM 0 HG1 THR A 29 14.144 -9.316 -3.794 1.00 31.10 H new ATOM 0 HG21 THR A 29 14.890 -12.203 -2.102 1.00 33.21 H new ATOM 0 HG22 THR A 29 16.631 -11.949 -2.373 1.00 33.21 H new ATOM 0 HG23 THR A 29 15.651 -10.668 -1.621 1.00 33.21 H new ATOM 441 N GLN A 30 17.069 -8.259 -2.418 1.00 53.42 N ATOM 442 CA GLN A 30 16.946 -7.058 -1.600 1.00 31.34 C ATOM 443 C GLN A 30 17.649 -5.876 -2.258 1.00 3.01 C ATOM 444 O GLN A 30 17.846 -4.831 -1.636 1.00 71.30 O ATOM 445 CB GLN A 30 17.530 -7.303 -0.207 1.00 73.30 C ATOM 446 CG GLN A 30 16.595 -8.066 0.719 1.00 45.42 C ATOM 447 CD GLN A 30 16.468 -9.529 0.344 1.00 42.13 C ATOM 448 OE1 GLN A 30 15.362 -10.051 0.201 1.00 62.14 O ATOM 449 NE2 GLN A 30 17.603 -10.200 0.182 1.00 53.30 N ATOM 0 H GLN A 30 17.891 -8.828 -2.213 1.00 53.42 H new ATOM 0 HA GLN A 30 15.886 -6.820 -1.506 1.00 31.34 H new ATOM 0 HB2 GLN A 30 18.463 -7.858 -0.306 1.00 73.30 H new ATOM 0 HB3 GLN A 30 17.776 -6.344 0.249 1.00 73.30 H new ATOM 0 HG2 GLN A 30 16.960 -7.988 1.743 1.00 45.42 H new ATOM 0 HG3 GLN A 30 15.609 -7.602 0.696 1.00 45.42 H new ATOM 0 HE21 GLN A 30 18.498 -9.727 0.311 1.00 53.30 H new ATOM 0 HE22 GLN A 30 17.580 -11.188 -0.071 1.00 53.30 H new ATOM 458 N THR A 31 18.028 -6.047 -3.521 1.00 35.11 N ATOM 459 CA THR A 31 18.711 -4.995 -4.263 1.00 75.34 C ATOM 460 C THR A 31 17.826 -4.445 -5.376 1.00 42.14 C ATOM 461 O THR A 31 18.310 -3.794 -6.303 1.00 3.14 O ATOM 462 CB THR A 31 20.029 -5.505 -4.875 1.00 71.15 C ATOM 463 OG1 THR A 31 19.848 -6.826 -5.398 1.00 0.10 O ATOM 464 CG2 THR A 31 21.140 -5.513 -3.837 1.00 3.12 C ATOM 0 H THR A 31 17.873 -6.905 -4.051 1.00 35.11 H new ATOM 0 HA THR A 31 18.933 -4.199 -3.552 1.00 75.34 H new ATOM 0 HB THR A 31 20.313 -4.831 -5.683 1.00 71.15 H new ATOM 0 HG1 THR A 31 20.690 -7.142 -5.787 1.00 0.10 H new ATOM 0 HG21 THR A 31 22.061 -5.877 -4.293 1.00 3.12 H new ATOM 0 HG22 THR A 31 21.296 -4.501 -3.463 1.00 3.12 H new ATOM 0 HG23 THR A 31 20.861 -6.167 -3.011 1.00 3.12 H new ATOM 472 N TYR A 32 16.528 -4.710 -5.280 1.00 1.54 N ATOM 473 CA TYR A 32 15.576 -4.242 -6.280 1.00 10.31 C ATOM 474 C TYR A 32 14.500 -3.369 -5.641 1.00 41.55 C ATOM 475 O TYR A 32 14.148 -3.548 -4.475 1.00 74.42 O ATOM 476 CB TYR A 32 14.928 -5.430 -6.992 1.00 52.25 C ATOM 477 CG TYR A 32 15.670 -5.870 -8.234 1.00 42.41 C ATOM 478 CD1 TYR A 32 16.776 -6.706 -8.146 1.00 60.51 C ATOM 479 CD2 TYR A 32 15.267 -5.448 -9.495 1.00 13.11 C ATOM 480 CE1 TYR A 32 17.458 -7.110 -9.278 1.00 31.44 C ATOM 481 CE2 TYR A 32 15.942 -5.848 -10.632 1.00 14.02 C ATOM 482 CZ TYR A 32 17.037 -6.679 -10.518 1.00 54.01 C ATOM 483 OH TYR A 32 17.712 -7.079 -11.648 1.00 45.42 O ATOM 0 H TYR A 32 16.111 -5.247 -4.519 1.00 1.54 H new ATOM 0 HA TYR A 32 16.119 -3.642 -7.010 1.00 10.31 H new ATOM 0 HB2 TYR A 32 14.867 -6.269 -6.299 1.00 52.25 H new ATOM 0 HB3 TYR A 32 13.906 -5.166 -7.264 1.00 52.25 H new ATOM 0 HD1 TYR A 32 17.109 -7.046 -7.176 1.00 60.51 H new ATOM 0 HD2 TYR A 32 14.411 -4.796 -9.588 1.00 13.11 H new ATOM 0 HE1 TYR A 32 18.316 -7.760 -9.192 1.00 31.44 H new ATOM 0 HE2 TYR A 32 15.614 -5.512 -11.605 1.00 14.02 H new ATOM 0 HH TYR A 32 17.286 -6.688 -12.439 1.00 45.42 H new ATOM 493 N THR A 33 13.980 -2.421 -6.415 1.00 41.33 N ATOM 494 CA THR A 33 12.945 -1.518 -5.928 1.00 31.34 C ATOM 495 C THR A 33 12.190 -0.872 -7.083 1.00 75.23 C ATOM 496 O THR A 33 12.680 -0.828 -8.211 1.00 1.44 O ATOM 497 CB THR A 33 13.539 -0.412 -5.035 1.00 73.11 C ATOM 498 OG1 THR A 33 14.508 -0.971 -4.142 1.00 23.11 O ATOM 499 CG2 THR A 33 12.447 0.283 -4.236 1.00 73.10 C ATOM 0 H THR A 33 14.259 -2.259 -7.383 1.00 41.33 H new ATOM 0 HA THR A 33 12.254 -2.119 -5.338 1.00 31.34 H new ATOM 0 HB THR A 33 14.021 0.324 -5.678 1.00 73.11 H new ATOM 0 HG1 THR A 33 14.232 -1.875 -3.884 1.00 23.11 H new ATOM 0 HG21 THR A 33 12.890 1.060 -3.613 1.00 73.10 H new ATOM 0 HG22 THR A 33 11.727 0.733 -4.919 1.00 73.10 H new ATOM 0 HG23 THR A 33 11.940 -0.445 -3.602 1.00 73.10 H new ATOM 507 N GLY A 34 10.992 -0.371 -6.795 1.00 71.23 N ATOM 508 CA GLY A 34 10.188 0.267 -7.822 1.00 23.33 C ATOM 509 C GLY A 34 8.876 0.800 -7.282 1.00 40.23 C ATOM 510 O GLY A 34 8.314 1.750 -7.827 1.00 13.33 O ATOM 0 H GLY A 34 10.564 -0.396 -5.869 1.00 71.23 H new ATOM 0 HA2 GLY A 34 10.754 1.086 -8.266 1.00 23.33 H new ATOM 0 HA3 GLY A 34 9.986 -0.449 -8.618 1.00 23.33 H new ATOM 514 N SER A 35 8.386 0.187 -6.210 1.00 35.20 N ATOM 515 CA SER A 35 7.128 0.602 -5.600 1.00 51.30 C ATOM 516 C SER A 35 7.381 1.417 -4.335 1.00 33.52 C ATOM 517 O SER A 35 8.097 0.979 -3.435 1.00 54.31 O ATOM 518 CB SER A 35 6.268 -0.620 -5.271 1.00 2.45 C ATOM 519 OG SER A 35 6.946 -1.497 -4.387 1.00 53.43 O ATOM 0 H SER A 35 8.841 -0.599 -5.745 1.00 35.20 H new ATOM 0 HA SER A 35 6.595 1.229 -6.315 1.00 51.30 H new ATOM 0 HB2 SER A 35 5.330 -0.298 -4.820 1.00 2.45 H new ATOM 0 HB3 SER A 35 6.015 -1.149 -6.190 1.00 2.45 H new ATOM 0 HG SER A 35 6.293 -1.968 -3.828 1.00 53.43 H new ATOM 525 N ASN A 36 6.787 2.604 -4.274 1.00 52.04 N ATOM 526 CA ASN A 36 6.947 3.481 -3.120 1.00 44.13 C ATOM 527 C ASN A 36 8.423 3.670 -2.782 1.00 31.24 C ATOM 528 O ASN A 36 8.783 3.881 -1.624 1.00 70.13 O ATOM 529 CB ASN A 36 6.204 2.909 -1.911 1.00 62.15 C ATOM 530 CG ASN A 36 5.254 3.913 -1.289 1.00 12.13 C ATOM 531 OD1 ASN A 36 5.643 4.702 -0.428 1.00 5.13 O ATOM 532 ND2 ASN A 36 3.999 3.888 -1.722 1.00 71.44 N ATOM 0 H ASN A 36 6.190 2.981 -5.010 1.00 52.04 H new ATOM 0 HA ASN A 36 6.522 4.453 -3.372 1.00 44.13 H new ATOM 0 HB2 ASN A 36 5.645 2.025 -2.217 1.00 62.15 H new ATOM 0 HB3 ASN A 36 6.928 2.586 -1.163 1.00 62.15 H new ATOM 0 HD21 ASN A 36 3.314 4.540 -1.339 1.00 71.44 H new ATOM 0 HD22 ASN A 36 3.720 3.217 -2.438 1.00 71.44 H new ATOM 539 N GLY A 37 9.273 3.593 -3.801 1.00 23.30 N ATOM 540 CA GLY A 37 10.700 3.758 -3.591 1.00 73.32 C ATOM 541 C GLY A 37 11.435 4.120 -4.866 1.00 41.21 C ATOM 542 O GLY A 37 12.038 5.188 -4.961 1.00 52.42 O ATOM 0 H GLY A 37 8.999 3.419 -4.768 1.00 23.30 H new ATOM 0 HA2 GLY A 37 10.867 4.536 -2.846 1.00 73.32 H new ATOM 0 HA3 GLY A 37 11.114 2.834 -3.186 1.00 73.32 H new ATOM 546 N GLY A 38 11.387 3.227 -5.850 1.00 23.32 N ATOM 547 CA GLY A 38 12.060 3.476 -7.111 1.00 72.34 C ATOM 548 C GLY A 38 13.545 3.724 -6.938 1.00 0.24 C ATOM 549 O GLY A 38 13.987 4.871 -6.885 1.00 1.43 O ATOM 0 H GLY A 38 10.894 2.336 -5.796 1.00 23.32 H new ATOM 0 HA2 GLY A 38 11.912 2.622 -7.773 1.00 72.34 H new ATOM 0 HA3 GLY A 38 11.605 4.339 -7.598 1.00 72.34 H new ATOM 553 N ALA A 39 14.317 2.646 -6.847 1.00 1.23 N ATOM 554 CA ALA A 39 15.761 2.753 -6.678 1.00 70.20 C ATOM 555 C ALA A 39 16.403 1.375 -6.562 1.00 64.32 C ATOM 556 O ALA A 39 16.980 1.033 -5.530 1.00 3.03 O ATOM 557 CB ALA A 39 16.089 3.595 -5.454 1.00 35.44 C ATOM 0 H ALA A 39 13.967 1.689 -6.887 1.00 1.23 H new ATOM 0 HA ALA A 39 16.170 3.243 -7.562 1.00 70.20 H new ATOM 0 HB1 ALA A 39 17.171 3.666 -5.341 1.00 35.44 H new ATOM 0 HB2 ALA A 39 15.671 4.594 -5.577 1.00 35.44 H new ATOM 0 HB3 ALA A 39 15.661 3.129 -4.566 1.00 35.44 H new ATOM 563 N ASP A 40 16.299 0.587 -7.627 1.00 0.20 N ATOM 564 CA ASP A 40 16.870 -0.754 -7.645 1.00 24.33 C ATOM 565 C ASP A 40 18.395 -0.696 -7.640 1.00 52.23 C ATOM 566 O ASP A 40 19.013 -0.262 -8.613 1.00 51.33 O ATOM 567 CB ASP A 40 16.381 -1.524 -8.872 1.00 73.22 C ATOM 568 CG ASP A 40 16.768 -0.848 -10.172 1.00 44.24 C ATOM 569 OD1 ASP A 40 16.326 0.298 -10.401 1.00 35.41 O ATOM 570 OD2 ASP A 40 17.515 -1.463 -10.961 1.00 64.32 O ATOM 0 H ASP A 40 15.824 0.854 -8.489 1.00 0.20 H new ATOM 0 HA ASP A 40 16.541 -1.274 -6.745 1.00 24.33 H new ATOM 0 HB2 ASP A 40 16.795 -2.532 -8.853 1.00 73.22 H new ATOM 0 HB3 ASP A 40 15.297 -1.623 -8.826 1.00 73.22 H new ATOM 575 N LEU A 41 18.995 -1.134 -6.540 1.00 23.35 N ATOM 576 CA LEU A 41 20.448 -1.131 -6.408 1.00 21.25 C ATOM 577 C LEU A 41 20.876 -1.752 -5.082 1.00 32.34 C ATOM 578 O LEU A 41 20.078 -2.396 -4.401 1.00 10.24 O ATOM 579 CB LEU A 41 20.986 0.297 -6.512 1.00 23.11 C ATOM 580 CG LEU A 41 22.277 0.471 -7.313 1.00 23.23 C ATOM 581 CD1 LEU A 41 21.968 0.666 -8.789 1.00 34.42 C ATOM 582 CD2 LEU A 41 23.084 1.644 -6.776 1.00 10.12 C ATOM 0 H LEU A 41 18.498 -1.496 -5.726 1.00 23.35 H new ATOM 0 HA LEU A 41 20.863 -1.729 -7.219 1.00 21.25 H new ATOM 0 HB2 LEU A 41 20.215 0.922 -6.963 1.00 23.11 H new ATOM 0 HB3 LEU A 41 21.154 0.675 -5.504 1.00 23.11 H new ATOM 0 HG LEU A 41 22.873 -0.435 -7.205 1.00 23.23 H new ATOM 0 HD11 LEU A 41 22.899 0.788 -9.343 1.00 34.42 H new ATOM 0 HD12 LEU A 41 21.433 -0.205 -9.167 1.00 34.42 H new ATOM 0 HD13 LEU A 41 21.350 1.555 -8.917 1.00 34.42 H new ATOM 0 HD21 LEU A 41 23.999 1.753 -7.358 1.00 10.12 H new ATOM 0 HD22 LEU A 41 22.494 2.557 -6.853 1.00 10.12 H new ATOM 0 HD23 LEU A 41 23.338 1.463 -5.731 1.00 10.12 H new ATOM 594 N MET A 42 22.139 -1.553 -4.721 1.00 3.11 N ATOM 595 CA MET A 42 22.672 -2.091 -3.474 1.00 53.34 C ATOM 596 C MET A 42 23.019 -0.968 -2.502 1.00 43.23 C ATOM 597 O MET A 42 23.793 -0.068 -2.829 1.00 35.43 O ATOM 598 CB MET A 42 23.911 -2.944 -3.750 1.00 42.04 C ATOM 599 CG MET A 42 23.751 -3.882 -4.936 1.00 24.45 C ATOM 600 SD MET A 42 24.676 -3.336 -6.384 1.00 24.23 S ATOM 601 CE MET A 42 26.301 -3.994 -6.016 1.00 21.34 C ATOM 0 H MET A 42 22.813 -1.023 -5.274 1.00 3.11 H new ATOM 0 HA MET A 42 21.904 -2.716 -3.019 1.00 53.34 H new ATOM 0 HB2 MET A 42 24.762 -2.287 -3.929 1.00 42.04 H new ATOM 0 HB3 MET A 42 24.143 -3.531 -2.861 1.00 42.04 H new ATOM 0 HG2 MET A 42 24.084 -4.880 -4.652 1.00 24.45 H new ATOM 0 HG3 MET A 42 22.695 -3.960 -5.193 1.00 24.45 H new ATOM 0 HE1 MET A 42 26.988 -3.738 -6.822 1.00 21.34 H new ATOM 0 HE2 MET A 42 26.663 -3.567 -5.081 1.00 21.34 H new ATOM 0 HE3 MET A 42 26.241 -5.078 -5.920 1.00 21.34 H new ATOM 611 N GLY A 43 22.442 -1.027 -1.306 1.00 10.41 N ATOM 612 CA GLY A 43 22.703 -0.008 -0.305 1.00 62.34 C ATOM 613 C GLY A 43 22.052 -0.324 1.026 1.00 14.54 C ATOM 614 O GLY A 43 22.721 -0.638 2.010 1.00 23.54 O ATOM 0 H GLY A 43 21.799 -1.762 -1.012 1.00 10.41 H new ATOM 0 HA2 GLY A 43 23.779 0.092 -0.165 1.00 62.34 H new ATOM 0 HA3 GLY A 43 22.338 0.953 -0.666 1.00 62.34 H new ATOM 618 N PRO A 44 20.714 -0.238 1.070 1.00 33.10 N ATOM 619 CA PRO A 44 19.942 -0.512 2.286 1.00 2.21 C ATOM 620 C PRO A 44 19.958 -1.989 2.662 1.00 30.53 C ATOM 621 O PRO A 44 19.841 -2.342 3.835 1.00 25.25 O ATOM 622 CB PRO A 44 18.525 -0.070 1.914 1.00 53.12 C ATOM 623 CG PRO A 44 18.468 -0.190 0.430 1.00 51.20 C ATOM 624 CD PRO A 44 19.851 0.132 -0.065 1.00 21.33 C ATOM 0 HA PRO A 44 20.351 0.006 3.153 1.00 2.21 H new ATOM 0 HB2 PRO A 44 17.775 -0.701 2.391 1.00 53.12 H new ATOM 0 HB3 PRO A 44 18.332 0.953 2.236 1.00 53.12 H new ATOM 0 HG2 PRO A 44 18.171 -1.195 0.131 1.00 51.20 H new ATOM 0 HG3 PRO A 44 17.734 0.498 0.011 1.00 51.20 H new ATOM 0 HD2 PRO A 44 20.100 -0.437 -0.961 1.00 21.33 H new ATOM 0 HD3 PRO A 44 19.951 1.187 -0.319 1.00 21.33 H new ATOM 632 N ALA A 45 20.103 -2.849 1.659 1.00 22.23 N ATOM 633 CA ALA A 45 20.137 -4.289 1.886 1.00 52.32 C ATOM 634 C ALA A 45 21.352 -4.685 2.718 1.00 73.33 C ATOM 635 O ALA A 45 21.257 -5.526 3.612 1.00 14.23 O ATOM 636 CB ALA A 45 20.138 -5.032 0.558 1.00 23.03 C ATOM 0 H ALA A 45 20.199 -2.574 0.682 1.00 22.23 H new ATOM 0 HA ALA A 45 19.242 -4.566 2.444 1.00 52.32 H new ATOM 0 HB1 ALA A 45 20.164 -6.106 0.742 1.00 23.03 H new ATOM 0 HB2 ALA A 45 19.236 -4.781 -0.000 1.00 23.03 H new ATOM 0 HB3 ALA A 45 21.015 -4.742 -0.020 1.00 23.03 H new ATOM 642 N PHE A 46 22.494 -4.076 2.417 1.00 54.13 N ATOM 643 CA PHE A 46 23.728 -4.367 3.136 1.00 43.00 C ATOM 644 C PHE A 46 23.632 -3.910 4.589 1.00 61.13 C ATOM 645 O PHE A 46 24.383 -4.373 5.447 1.00 50.40 O ATOM 646 CB PHE A 46 24.915 -3.684 2.452 1.00 32.43 C ATOM 647 CG PHE A 46 26.220 -4.397 2.664 1.00 31.20 C ATOM 648 CD1 PHE A 46 26.710 -5.272 1.708 1.00 52.12 C ATOM 649 CD2 PHE A 46 26.956 -4.193 3.820 1.00 45.23 C ATOM 650 CE1 PHE A 46 27.911 -5.929 1.899 1.00 34.22 C ATOM 651 CE2 PHE A 46 28.158 -4.847 4.016 1.00 10.25 C ATOM 652 CZ PHE A 46 28.635 -5.717 3.056 1.00 60.03 C ATOM 0 H PHE A 46 22.590 -3.378 1.680 1.00 54.13 H new ATOM 0 HA PHE A 46 23.881 -5.446 3.122 1.00 43.00 H new ATOM 0 HB2 PHE A 46 24.717 -3.615 1.382 1.00 32.43 H new ATOM 0 HB3 PHE A 46 25.002 -2.664 2.826 1.00 32.43 H new ATOM 0 HD1 PHE A 46 26.147 -5.443 0.803 1.00 52.12 H new ATOM 0 HD2 PHE A 46 26.587 -3.516 4.576 1.00 45.23 H new ATOM 0 HE1 PHE A 46 28.283 -6.607 1.145 1.00 34.22 H new ATOM 0 HE2 PHE A 46 28.724 -4.677 4.920 1.00 10.25 H new ATOM 0 HZ PHE A 46 29.572 -6.231 3.209 1.00 60.03 H new ATOM 662 N ALA A 47 22.703 -2.998 4.856 1.00 73.44 N ATOM 663 CA ALA A 47 22.507 -2.479 6.203 1.00 34.45 C ATOM 664 C ALA A 47 22.041 -3.578 7.153 1.00 70.44 C ATOM 665 O ALA A 47 22.339 -3.548 8.346 1.00 24.40 O ATOM 666 CB ALA A 47 21.505 -1.334 6.187 1.00 2.15 C ATOM 0 H ALA A 47 22.074 -2.603 4.156 1.00 73.44 H new ATOM 0 HA ALA A 47 23.465 -2.105 6.564 1.00 34.45 H new ATOM 0 HB1 ALA A 47 21.368 -0.956 7.200 1.00 2.15 H new ATOM 0 HB2 ALA A 47 21.878 -0.533 5.548 1.00 2.15 H new ATOM 0 HB3 ALA A 47 20.550 -1.691 5.801 1.00 2.15 H new ATOM 672 N ALA A 48 21.307 -4.547 6.614 1.00 24.13 N ATOM 673 CA ALA A 48 20.802 -5.656 7.413 1.00 32.34 C ATOM 674 C ALA A 48 21.676 -6.895 7.249 1.00 3.31 C ATOM 675 O ALA A 48 21.686 -7.778 8.106 1.00 43.42 O ATOM 676 CB ALA A 48 19.363 -5.969 7.031 1.00 72.40 C ATOM 0 H ALA A 48 21.049 -4.586 5.628 1.00 24.13 H new ATOM 0 HA ALA A 48 20.832 -5.359 8.461 1.00 32.34 H new ATOM 0 HB1 ALA A 48 18.998 -6.799 7.636 1.00 72.40 H new ATOM 0 HB2 ALA A 48 18.741 -5.091 7.207 1.00 72.40 H new ATOM 0 HB3 ALA A 48 19.317 -6.241 5.976 1.00 72.40 H new ATOM 682 N GLY A 49 22.410 -6.953 6.141 1.00 35.34 N ATOM 683 CA GLY A 49 23.276 -8.088 5.885 1.00 65.51 C ATOM 684 C GLY A 49 22.658 -9.085 4.924 1.00 44.41 C ATOM 685 O GLY A 49 23.121 -10.221 4.813 1.00 12.11 O ATOM 0 H GLY A 49 22.420 -6.234 5.417 1.00 35.34 H new ATOM 0 HA2 GLY A 49 24.223 -7.734 5.477 1.00 65.51 H new ATOM 0 HA3 GLY A 49 23.502 -8.588 6.827 1.00 65.51 H new ATOM 689 N LEU A 50 21.609 -8.660 4.228 1.00 24.11 N ATOM 690 CA LEU A 50 20.925 -9.524 3.272 1.00 1.21 C ATOM 691 C LEU A 50 21.811 -9.807 2.063 1.00 52.11 C ATOM 692 O LEU A 50 22.110 -8.908 1.276 1.00 30.43 O ATOM 693 CB LEU A 50 19.615 -8.878 2.819 1.00 74.23 C ATOM 694 CG LEU A 50 18.741 -8.285 3.924 1.00 11.25 C ATOM 695 CD1 LEU A 50 18.459 -6.816 3.651 1.00 10.54 C ATOM 696 CD2 LEU A 50 17.440 -9.064 4.053 1.00 64.52 C ATOM 0 H LEU A 50 21.214 -7.723 4.308 1.00 24.11 H new ATOM 0 HA LEU A 50 20.705 -10.470 3.767 1.00 1.21 H new ATOM 0 HB2 LEU A 50 19.851 -8.088 2.106 1.00 74.23 H new ATOM 0 HB3 LEU A 50 19.031 -9.626 2.283 1.00 74.23 H new ATOM 0 HG LEU A 50 19.282 -8.361 4.867 1.00 11.25 H new ATOM 0 HD11 LEU A 50 17.836 -6.411 4.448 1.00 10.54 H new ATOM 0 HD12 LEU A 50 19.399 -6.266 3.611 1.00 10.54 H new ATOM 0 HD13 LEU A 50 17.940 -6.716 2.698 1.00 10.54 H new ATOM 0 HD21 LEU A 50 16.831 -8.627 4.845 1.00 64.52 H new ATOM 0 HD22 LEU A 50 16.895 -9.021 3.110 1.00 64.52 H new ATOM 0 HD23 LEU A 50 17.661 -10.103 4.297 1.00 64.52 H new ATOM 708 N ARG A 51 22.225 -11.062 1.920 1.00 2.53 N ATOM 709 CA ARG A 51 23.076 -11.463 0.806 1.00 34.33 C ATOM 710 C ARG A 51 22.698 -12.855 0.308 1.00 34.11 C ATOM 711 O ARG A 51 21.808 -13.503 0.859 1.00 13.14 O ATOM 712 CB ARG A 51 24.546 -11.442 1.226 1.00 25.34 C ATOM 713 CG ARG A 51 25.377 -10.406 0.486 1.00 34.50 C ATOM 714 CD ARG A 51 26.744 -10.954 0.110 1.00 63.34 C ATOM 715 NE ARG A 51 27.777 -10.546 1.058 1.00 63.21 N ATOM 716 CZ ARG A 51 29.079 -10.647 0.815 1.00 64.22 C ATOM 717 NH1 ARG A 51 29.505 -11.140 -0.340 1.00 43.32 N ATOM 718 NH2 ARG A 51 29.958 -10.254 1.728 1.00 64.51 N ATOM 0 H ARG A 51 21.985 -11.818 2.561 1.00 2.53 H new ATOM 0 HA ARG A 51 22.928 -10.752 -0.007 1.00 34.33 H new ATOM 0 HB2 ARG A 51 24.606 -11.246 2.297 1.00 25.34 H new ATOM 0 HB3 ARG A 51 24.977 -12.429 1.058 1.00 25.34 H new ATOM 0 HG2 ARG A 51 24.850 -10.091 -0.415 1.00 34.50 H new ATOM 0 HG3 ARG A 51 25.498 -9.521 1.111 1.00 34.50 H new ATOM 0 HD2 ARG A 51 26.699 -12.042 0.069 1.00 63.34 H new ATOM 0 HD3 ARG A 51 27.011 -10.608 -0.888 1.00 63.34 H new ATOM 0 HE ARG A 51 27.483 -10.162 1.956 1.00 63.21 H new ATOM 0 HH11 ARG A 51 28.832 -11.443 -1.044 1.00 43.32 H new ATOM 0 HH12 ARG A 51 30.505 -11.216 -0.524 1.00 43.32 H new ATOM 0 HH21 ARG A 51 29.634 -9.874 2.617 1.00 64.51 H new ATOM 0 HH22 ARG A 51 30.958 -10.332 1.540 1.00 64.51 H new ATOM 732 N VAL A 52 23.380 -13.309 -0.739 1.00 13.13 N ATOM 733 CA VAL A 52 23.116 -14.624 -1.311 1.00 43.43 C ATOM 734 C VAL A 52 23.661 -15.732 -0.417 1.00 0.40 C ATOM 735 O VAL A 52 24.800 -15.669 0.043 1.00 1.44 O ATOM 736 CB VAL A 52 23.737 -14.759 -2.714 1.00 61.53 C ATOM 737 CG1 VAL A 52 23.192 -13.687 -3.646 1.00 25.15 C ATOM 738 CG2 VAL A 52 25.255 -14.687 -2.634 1.00 75.13 C ATOM 0 H VAL A 52 24.119 -12.786 -1.208 1.00 13.13 H new ATOM 0 HA VAL A 52 22.033 -14.724 -1.389 1.00 43.43 H new ATOM 0 HB VAL A 52 23.463 -15.732 -3.121 1.00 61.53 H new ATOM 0 HG11 VAL A 52 23.643 -13.799 -4.632 1.00 25.15 H new ATOM 0 HG12 VAL A 52 22.110 -13.791 -3.727 1.00 25.15 H new ATOM 0 HG13 VAL A 52 23.432 -12.702 -3.247 1.00 25.15 H new ATOM 0 HG21 VAL A 52 25.677 -14.784 -3.634 1.00 75.13 H new ATOM 0 HG22 VAL A 52 25.552 -13.729 -2.206 1.00 75.13 H new ATOM 0 HG23 VAL A 52 25.625 -15.496 -2.004 1.00 75.13 H new ATOM 748 N GLY A 53 22.838 -16.748 -0.175 1.00 44.11 N ATOM 749 CA GLY A 53 23.255 -17.857 0.663 1.00 5.42 C ATOM 750 C GLY A 53 22.176 -18.285 1.637 1.00 72.52 C ATOM 751 O GLY A 53 21.847 -19.468 1.728 1.00 21.42 O ATOM 0 H GLY A 53 21.890 -16.823 -0.544 1.00 44.11 H new ATOM 0 HA2 GLY A 53 23.527 -18.703 0.032 1.00 5.42 H new ATOM 0 HA3 GLY A 53 24.149 -17.573 1.218 1.00 5.42 H new ATOM 755 N ASP A 54 21.624 -17.323 2.367 1.00 12.12 N ATOM 756 CA ASP A 54 20.575 -17.607 3.340 1.00 61.01 C ATOM 757 C ASP A 54 19.211 -17.687 2.661 1.00 64.32 C ATOM 758 O ASP A 54 18.978 -17.042 1.639 1.00 21.31 O ATOM 759 CB ASP A 54 20.554 -16.532 4.428 1.00 64.40 C ATOM 760 CG ASP A 54 21.946 -16.152 4.893 1.00 65.23 C ATOM 761 OD1 ASP A 54 22.557 -15.258 4.270 1.00 72.02 O ATOM 762 OD2 ASP A 54 22.425 -16.748 5.880 1.00 63.10 O ATOM 0 H ASP A 54 21.885 -16.339 2.304 1.00 12.12 H new ATOM 0 HA ASP A 54 20.790 -18.572 3.798 1.00 61.01 H new ATOM 0 HB2 ASP A 54 20.046 -15.645 4.049 1.00 64.40 H new ATOM 0 HB3 ASP A 54 19.975 -16.892 5.279 1.00 64.40 H new ATOM 767 N GLN A 55 18.316 -18.484 3.235 1.00 11.23 N ATOM 768 CA GLN A 55 16.976 -18.649 2.684 1.00 63.22 C ATOM 769 C GLN A 55 15.970 -17.776 3.426 1.00 3.31 C ATOM 770 O GLN A 55 16.115 -17.523 4.623 1.00 64.21 O ATOM 771 CB GLN A 55 16.549 -20.116 2.758 1.00 33.05 C ATOM 772 CG GLN A 55 16.426 -20.643 4.179 1.00 4.43 C ATOM 773 CD GLN A 55 16.939 -22.062 4.322 1.00 44.01 C ATOM 774 OE1 GLN A 55 17.665 -22.380 5.264 1.00 24.31 O ATOM 775 NE2 GLN A 55 16.564 -22.924 3.385 1.00 75.52 N ATOM 0 H GLN A 55 18.494 -19.025 4.081 1.00 11.23 H new ATOM 0 HA GLN A 55 16.999 -18.336 1.640 1.00 63.22 H new ATOM 0 HB2 GLN A 55 15.591 -20.233 2.252 1.00 33.05 H new ATOM 0 HB3 GLN A 55 17.273 -20.724 2.215 1.00 33.05 H new ATOM 0 HG2 GLN A 55 16.981 -19.991 4.854 1.00 4.43 H new ATOM 0 HG3 GLN A 55 15.381 -20.606 4.487 1.00 4.43 H new ATOM 0 HE21 GLN A 55 15.961 -22.617 2.622 1.00 75.52 H new ATOM 0 HE22 GLN A 55 16.879 -23.893 3.428 1.00 75.52 H new ATOM 784 N LEU A 56 14.951 -17.316 2.709 1.00 73.41 N ATOM 785 CA LEU A 56 13.920 -16.470 3.299 1.00 33.15 C ATOM 786 C LEU A 56 12.540 -17.100 3.138 1.00 11.11 C ATOM 787 O LEU A 56 12.133 -17.455 2.032 1.00 43.14 O ATOM 788 CB LEU A 56 13.939 -15.084 2.654 1.00 54.53 C ATOM 789 CG LEU A 56 15.257 -14.315 2.752 1.00 61.42 C ATOM 790 CD1 LEU A 56 16.212 -14.752 1.652 1.00 4.00 C ATOM 791 CD2 LEU A 56 15.007 -12.816 2.680 1.00 44.02 C ATOM 0 H LEU A 56 14.817 -17.515 1.718 1.00 73.41 H new ATOM 0 HA LEU A 56 14.132 -16.371 4.364 1.00 33.15 H new ATOM 0 HB2 LEU A 56 13.682 -15.192 1.600 1.00 54.53 H new ATOM 0 HB3 LEU A 56 13.155 -14.481 3.113 1.00 54.53 H new ATOM 0 HG LEU A 56 15.716 -14.540 3.715 1.00 61.42 H new ATOM 0 HD11 LEU A 56 17.145 -14.194 1.737 1.00 4.00 H new ATOM 0 HD12 LEU A 56 16.416 -15.818 1.750 1.00 4.00 H new ATOM 0 HD13 LEU A 56 15.760 -14.557 0.679 1.00 4.00 H new ATOM 0 HD21 LEU A 56 15.956 -12.285 2.751 1.00 44.02 H new ATOM 0 HD22 LEU A 56 14.525 -12.573 1.733 1.00 44.02 H new ATOM 0 HD23 LEU A 56 14.360 -12.515 3.504 1.00 44.02 H new ATOM 803 N VAL A 57 11.822 -17.234 4.249 1.00 5.22 N ATOM 804 CA VAL A 57 10.487 -17.818 4.231 1.00 55.50 C ATOM 805 C VAL A 57 9.448 -16.829 4.748 1.00 13.30 C ATOM 806 O VAL A 57 8.319 -16.785 4.257 1.00 4.15 O ATOM 807 CB VAL A 57 10.424 -19.102 5.079 1.00 55.21 C ATOM 808 CG1 VAL A 57 11.297 -20.188 4.469 1.00 1.34 C ATOM 809 CG2 VAL A 57 10.840 -18.814 6.513 1.00 10.44 C ATOM 0 H VAL A 57 12.143 -16.946 5.173 1.00 5.22 H new ATOM 0 HA VAL A 57 10.264 -18.066 3.193 1.00 55.50 H new ATOM 0 HB VAL A 57 9.395 -19.460 5.089 1.00 55.21 H new ATOM 0 HG11 VAL A 57 11.240 -21.088 5.082 1.00 1.34 H new ATOM 0 HG12 VAL A 57 10.947 -20.413 3.461 1.00 1.34 H new ATOM 0 HG13 VAL A 57 12.330 -19.843 4.426 1.00 1.34 H new ATOM 0 HG21 VAL A 57 10.790 -19.732 7.098 1.00 10.44 H new ATOM 0 HG22 VAL A 57 11.860 -18.431 6.526 1.00 10.44 H new ATOM 0 HG23 VAL A 57 10.169 -18.072 6.945 1.00 10.44 H new ATOM 819 N ARG A 58 9.836 -16.036 5.741 1.00 24.04 N ATOM 820 CA ARG A 58 8.938 -15.047 6.326 1.00 23.50 C ATOM 821 C ARG A 58 7.622 -15.692 6.749 1.00 33.13 C ATOM 822 O ARG A 58 6.571 -15.050 6.736 1.00 4.33 O ATOM 823 CB ARG A 58 8.669 -13.919 5.329 1.00 73.23 C ATOM 824 CG ARG A 58 8.869 -12.530 5.912 1.00 50.00 C ATOM 825 CD ARG A 58 9.449 -11.572 4.883 1.00 33.10 C ATOM 826 NE ARG A 58 10.154 -10.457 5.509 1.00 32.04 N ATOM 827 CZ ARG A 58 10.732 -9.476 4.826 1.00 53.34 C ATOM 828 NH1 ARG A 58 10.688 -9.472 3.500 1.00 0.45 N ATOM 829 NH2 ARG A 58 11.355 -8.496 5.467 1.00 14.44 N ATOM 0 H ARG A 58 10.767 -16.059 6.158 1.00 24.04 H new ATOM 0 HA ARG A 58 9.420 -14.632 7.211 1.00 23.50 H new ATOM 0 HB2 ARG A 58 9.328 -14.041 4.469 1.00 73.23 H new ATOM 0 HB3 ARG A 58 7.646 -14.006 4.962 1.00 73.23 H new ATOM 0 HG2 ARG A 58 7.915 -12.145 6.272 1.00 50.00 H new ATOM 0 HG3 ARG A 58 9.535 -12.588 6.773 1.00 50.00 H new ATOM 0 HD2 ARG A 58 10.134 -12.113 4.230 1.00 33.10 H new ATOM 0 HD3 ARG A 58 8.647 -11.186 4.254 1.00 33.10 H new ATOM 0 HE ARG A 58 10.205 -10.430 6.527 1.00 32.04 H new ATOM 0 HH11 ARG A 58 10.209 -10.223 3.003 1.00 0.45 H new ATOM 0 HH12 ARG A 58 11.133 -8.717 2.977 1.00 0.45 H new ATOM 0 HH21 ARG A 58 11.391 -8.495 6.486 1.00 14.44 H new ATOM 0 HH22 ARG A 58 11.798 -7.743 4.941 1.00 14.44 H new ATOM 843 N PHE A 59 7.686 -16.966 7.124 1.00 52.53 N ATOM 844 CA PHE A 59 6.499 -17.698 7.549 1.00 12.15 C ATOM 845 C PHE A 59 6.796 -18.546 8.783 1.00 40.50 C ATOM 846 O PHE A 59 7.911 -19.035 8.959 1.00 62.44 O ATOM 847 CB PHE A 59 5.989 -18.589 6.415 1.00 64.30 C ATOM 848 CG PHE A 59 5.234 -17.838 5.356 1.00 63.44 C ATOM 849 CD1 PHE A 59 5.588 -17.953 4.021 1.00 60.50 C ATOM 850 CD2 PHE A 59 4.171 -17.017 5.695 1.00 61.13 C ATOM 851 CE1 PHE A 59 4.895 -17.264 3.044 1.00 61.24 C ATOM 852 CE2 PHE A 59 3.474 -16.326 4.722 1.00 43.13 C ATOM 853 CZ PHE A 59 3.837 -16.449 3.395 1.00 44.53 C ATOM 0 H PHE A 59 8.547 -17.512 7.142 1.00 52.53 H new ATOM 0 HA PHE A 59 5.728 -16.972 7.805 1.00 12.15 H new ATOM 0 HB2 PHE A 59 6.836 -19.098 5.954 1.00 64.30 H new ATOM 0 HB3 PHE A 59 5.342 -19.361 6.833 1.00 64.30 H new ATOM 0 HD1 PHE A 59 6.415 -18.589 3.741 1.00 60.50 H new ATOM 0 HD2 PHE A 59 3.884 -16.916 6.731 1.00 61.13 H new ATOM 0 HE1 PHE A 59 5.181 -17.363 2.007 1.00 61.24 H new ATOM 0 HE2 PHE A 59 2.646 -15.690 4.999 1.00 43.13 H new ATOM 0 HZ PHE A 59 3.294 -15.909 2.633 1.00 44.53 H new ATOM 863 N ALA A 60 5.790 -18.713 9.635 1.00 72.12 N ATOM 864 CA ALA A 60 5.942 -19.502 10.851 1.00 12.00 C ATOM 865 C ALA A 60 6.035 -20.990 10.532 1.00 31.30 C ATOM 866 O ALA A 60 5.053 -21.611 10.126 1.00 1.34 O ATOM 867 CB ALA A 60 4.784 -19.235 11.801 1.00 32.33 C ATOM 0 H ALA A 60 4.861 -18.312 9.505 1.00 72.12 H new ATOM 0 HA ALA A 60 6.871 -19.203 11.335 1.00 12.00 H new ATOM 0 HB1 ALA A 60 4.910 -19.831 12.705 1.00 32.33 H new ATOM 0 HB2 ALA A 60 4.765 -18.177 12.063 1.00 32.33 H new ATOM 0 HB3 ALA A 60 3.846 -19.506 11.316 1.00 32.33 H new ATOM 873 N GLY A 61 7.223 -21.558 10.717 1.00 1.45 N ATOM 874 CA GLY A 61 7.422 -22.969 10.444 1.00 43.34 C ATOM 875 C GLY A 61 8.643 -23.226 9.582 1.00 11.53 C ATOM 876 O GLY A 61 8.942 -24.371 9.242 1.00 13.44 O ATOM 0 H GLY A 61 8.051 -21.066 11.051 1.00 1.45 H new ATOM 0 HA2 GLY A 61 7.526 -23.507 11.386 1.00 43.34 H new ATOM 0 HA3 GLY A 61 6.539 -23.368 9.945 1.00 43.34 H new ATOM 880 N TYR A 62 9.349 -22.158 9.227 1.00 62.21 N ATOM 881 CA TYR A 62 10.542 -22.273 8.396 1.00 10.12 C ATOM 882 C TYR A 62 10.205 -22.889 7.042 1.00 64.22 C ATOM 883 O TYR A 62 10.973 -23.685 6.500 1.00 73.33 O ATOM 884 CB TYR A 62 11.603 -23.118 9.104 1.00 54.20 C ATOM 885 CG TYR A 62 11.709 -22.838 10.586 1.00 24.51 C ATOM 886 CD1 TYR A 62 11.755 -21.535 11.066 1.00 74.13 C ATOM 887 CD2 TYR A 62 11.766 -23.877 11.507 1.00 61.42 C ATOM 888 CE1 TYR A 62 11.853 -21.275 12.419 1.00 52.11 C ATOM 889 CE2 TYR A 62 11.863 -23.627 12.862 1.00 52.43 C ATOM 890 CZ TYR A 62 11.906 -22.324 13.313 1.00 41.11 C ATOM 891 OH TYR A 62 12.004 -22.070 14.662 1.00 51.12 O ATOM 0 H TYR A 62 9.116 -21.204 9.501 1.00 62.21 H new ATOM 0 HA TYR A 62 10.937 -21.271 8.231 1.00 10.12 H new ATOM 0 HB2 TYR A 62 11.372 -24.173 8.958 1.00 54.20 H new ATOM 0 HB3 TYR A 62 12.571 -22.936 8.638 1.00 54.20 H new ATOM 0 HD1 TYR A 62 11.713 -20.711 10.369 1.00 74.13 H new ATOM 0 HD2 TYR A 62 11.734 -24.898 11.157 1.00 61.42 H new ATOM 0 HE1 TYR A 62 11.888 -20.256 12.775 1.00 52.11 H new ATOM 0 HE2 TYR A 62 11.905 -24.447 13.564 1.00 52.43 H new ATOM 0 HH TYR A 62 12.029 -22.917 15.153 1.00 51.12 H new ATOM 901 N THR A 63 9.051 -22.514 6.499 1.00 61.42 N ATOM 902 CA THR A 63 8.611 -23.029 5.208 1.00 34.15 C ATOM 903 C THR A 63 8.121 -21.903 4.306 1.00 55.14 C ATOM 904 O THR A 63 7.627 -20.881 4.783 1.00 42.11 O ATOM 905 CB THR A 63 7.485 -24.067 5.372 1.00 35.24 C ATOM 906 OG1 THR A 63 7.013 -24.485 4.087 1.00 74.32 O ATOM 907 CG2 THR A 63 6.331 -23.491 6.179 1.00 34.00 C ATOM 0 H THR A 63 8.404 -21.856 6.933 1.00 61.42 H new ATOM 0 HA THR A 63 9.474 -23.510 4.748 1.00 34.15 H new ATOM 0 HB THR A 63 7.889 -24.926 5.907 1.00 35.24 H new ATOM 0 HG1 THR A 63 7.763 -24.834 3.561 1.00 74.32 H new ATOM 0 HG21 THR A 63 5.548 -24.242 6.282 1.00 34.00 H new ATOM 0 HG22 THR A 63 6.687 -23.201 7.167 1.00 34.00 H new ATOM 0 HG23 THR A 63 5.930 -22.616 5.667 1.00 34.00 H new ATOM 915 N VAL A 64 8.259 -22.096 2.998 1.00 71.33 N ATOM 916 CA VAL A 64 7.828 -21.097 2.027 1.00 22.03 C ATOM 917 C VAL A 64 7.351 -21.754 0.737 1.00 42.11 C ATOM 918 O VAL A 64 7.752 -22.872 0.410 1.00 1.34 O ATOM 919 CB VAL A 64 8.963 -20.109 1.698 1.00 13.43 C ATOM 920 CG1 VAL A 64 10.027 -20.782 0.846 1.00 63.12 C ATOM 921 CG2 VAL A 64 8.409 -18.876 0.999 1.00 21.23 C ATOM 0 H VAL A 64 8.666 -22.936 2.586 1.00 71.33 H new ATOM 0 HA VAL A 64 7.001 -20.551 2.480 1.00 22.03 H new ATOM 0 HB VAL A 64 9.427 -19.792 2.632 1.00 13.43 H new ATOM 0 HG11 VAL A 64 10.820 -20.068 0.624 1.00 63.12 H new ATOM 0 HG12 VAL A 64 10.444 -21.631 1.388 1.00 63.12 H new ATOM 0 HG13 VAL A 64 9.581 -21.130 -0.086 1.00 63.12 H new ATOM 0 HG21 VAL A 64 9.224 -18.188 0.774 1.00 21.23 H new ATOM 0 HG22 VAL A 64 7.918 -19.173 0.072 1.00 21.23 H new ATOM 0 HG23 VAL A 64 7.687 -18.382 1.650 1.00 21.23 H new ATOM 931 N THR A 65 6.492 -21.052 0.004 1.00 31.14 N ATOM 932 CA THR A 65 5.959 -21.567 -1.251 1.00 11.43 C ATOM 933 C THR A 65 6.981 -21.441 -2.375 1.00 11.33 C ATOM 934 O THR A 65 7.489 -22.442 -2.878 1.00 42.20 O ATOM 935 CB THR A 65 4.670 -20.828 -1.659 1.00 3.13 C ATOM 936 OG1 THR A 65 4.288 -19.906 -0.632 1.00 20.12 O ATOM 937 CG2 THR A 65 3.539 -21.813 -1.910 1.00 55.31 C ATOM 0 H THR A 65 6.151 -20.125 0.258 1.00 31.14 H new ATOM 0 HA THR A 65 5.729 -22.620 -1.089 1.00 11.43 H new ATOM 0 HB THR A 65 4.866 -20.282 -2.582 1.00 3.13 H new ATOM 0 HG1 THR A 65 3.392 -19.557 -0.822 1.00 20.12 H new ATOM 0 HG21 THR A 65 2.639 -21.269 -2.197 1.00 55.31 H new ATOM 0 HG22 THR A 65 3.822 -22.495 -2.712 1.00 55.31 H new ATOM 0 HG23 THR A 65 3.344 -22.383 -1.001 1.00 55.31 H new ATOM 945 N GLU A 66 7.278 -20.204 -2.763 1.00 33.32 N ATOM 946 CA GLU A 66 8.240 -19.949 -3.828 1.00 71.13 C ATOM 947 C GLU A 66 8.399 -18.451 -4.070 1.00 51.14 C ATOM 948 O GLU A 66 7.819 -17.630 -3.358 1.00 21.20 O ATOM 949 CB GLU A 66 7.800 -20.642 -5.120 1.00 11.32 C ATOM 950 CG GLU A 66 6.345 -20.390 -5.480 1.00 45.14 C ATOM 951 CD GLU A 66 6.141 -20.179 -6.968 1.00 45.51 C ATOM 952 OE1 GLU A 66 6.862 -19.342 -7.552 1.00 70.01 O ATOM 953 OE2 GLU A 66 5.262 -20.849 -7.548 1.00 50.30 O ATOM 0 H GLU A 66 6.866 -19.364 -2.356 1.00 33.32 H new ATOM 0 HA GLU A 66 9.203 -20.354 -3.517 1.00 71.13 H new ATOM 0 HB2 GLU A 66 8.433 -20.301 -5.939 1.00 11.32 H new ATOM 0 HB3 GLU A 66 7.960 -21.715 -5.019 1.00 11.32 H new ATOM 0 HG2 GLU A 66 5.741 -21.236 -5.150 1.00 45.14 H new ATOM 0 HG3 GLU A 66 5.987 -19.513 -4.940 1.00 45.14 H new ATOM 960 N LEU A 67 9.189 -18.101 -5.080 1.00 32.43 N ATOM 961 CA LEU A 67 9.426 -16.702 -5.417 1.00 14.01 C ATOM 962 C LEU A 67 8.108 -15.961 -5.622 1.00 4.34 C ATOM 963 O LEU A 67 7.979 -14.792 -5.258 1.00 23.21 O ATOM 964 CB LEU A 67 10.283 -16.599 -6.679 1.00 64.22 C ATOM 965 CG LEU A 67 9.578 -16.916 -7.998 1.00 75.40 C ATOM 966 CD1 LEU A 67 8.958 -15.659 -8.588 1.00 2.01 C ATOM 967 CD2 LEU A 67 10.549 -17.548 -8.984 1.00 41.15 C ATOM 0 H LEU A 67 9.676 -18.767 -5.679 1.00 32.43 H new ATOM 0 HA LEU A 67 9.957 -16.239 -4.586 1.00 14.01 H new ATOM 0 HB2 LEU A 67 10.685 -15.588 -6.739 1.00 64.22 H new ATOM 0 HB3 LEU A 67 11.132 -17.274 -6.573 1.00 64.22 H new ATOM 0 HG LEU A 67 8.779 -17.630 -7.798 1.00 75.40 H new ATOM 0 HD11 LEU A 67 8.461 -15.905 -9.526 1.00 2.01 H new ATOM 0 HD12 LEU A 67 8.230 -15.249 -7.888 1.00 2.01 H new ATOM 0 HD13 LEU A 67 9.738 -14.921 -8.773 1.00 2.01 H new ATOM 0 HD21 LEU A 67 10.029 -17.767 -9.917 1.00 41.15 H new ATOM 0 HD22 LEU A 67 11.370 -16.858 -9.179 1.00 41.15 H new ATOM 0 HD23 LEU A 67 10.944 -18.473 -8.563 1.00 41.15 H new ATOM 979 N ALA A 68 7.132 -16.649 -6.204 1.00 63.14 N ATOM 980 CA ALA A 68 5.824 -16.058 -6.453 1.00 54.44 C ATOM 981 C ALA A 68 5.172 -15.598 -5.153 1.00 65.13 C ATOM 982 O ALA A 68 4.606 -14.508 -5.083 1.00 43.22 O ATOM 983 CB ALA A 68 4.924 -17.051 -7.174 1.00 41.33 C ATOM 0 H ALA A 68 7.223 -17.617 -6.512 1.00 63.14 H new ATOM 0 HA ALA A 68 5.964 -15.183 -7.088 1.00 54.44 H new ATOM 0 HB1 ALA A 68 3.950 -16.596 -7.353 1.00 41.33 H new ATOM 0 HB2 ALA A 68 5.376 -17.327 -8.126 1.00 41.33 H new ATOM 0 HB3 ALA A 68 4.800 -17.943 -6.559 1.00 41.33 H new ATOM 989 N ALA A 69 5.256 -16.437 -4.126 1.00 63.31 N ATOM 990 CA ALA A 69 4.676 -16.116 -2.828 1.00 62.10 C ATOM 991 C ALA A 69 5.437 -14.980 -2.153 1.00 22.45 C ATOM 992 O ALA A 69 4.849 -14.155 -1.453 1.00 71.23 O ATOM 993 CB ALA A 69 4.663 -17.349 -1.936 1.00 40.13 C ATOM 0 H ALA A 69 5.720 -17.344 -4.168 1.00 63.31 H new ATOM 0 HA ALA A 69 3.649 -15.786 -2.988 1.00 62.10 H new ATOM 0 HB1 ALA A 69 4.227 -17.095 -0.970 1.00 40.13 H new ATOM 0 HB2 ALA A 69 4.069 -18.132 -2.407 1.00 40.13 H new ATOM 0 HB3 ALA A 69 5.683 -17.704 -1.792 1.00 40.13 H new ATOM 999 N PHE A 70 6.748 -14.944 -2.365 1.00 65.21 N ATOM 1000 CA PHE A 70 7.590 -13.910 -1.775 1.00 64.10 C ATOM 1001 C PHE A 70 7.438 -12.590 -2.526 1.00 35.44 C ATOM 1002 O PHE A 70 7.681 -11.518 -1.973 1.00 63.44 O ATOM 1003 CB PHE A 70 9.056 -14.349 -1.785 1.00 43.23 C ATOM 1004 CG PHE A 70 9.952 -13.464 -0.966 1.00 63.51 C ATOM 1005 CD1 PHE A 70 9.600 -13.103 0.324 1.00 33.22 C ATOM 1006 CD2 PHE A 70 11.147 -12.994 -1.487 1.00 1.03 C ATOM 1007 CE1 PHE A 70 10.422 -12.290 1.081 1.00 42.11 C ATOM 1008 CE2 PHE A 70 11.974 -12.181 -0.735 1.00 12.24 C ATOM 1009 CZ PHE A 70 11.610 -11.827 0.550 1.00 23.32 C ATOM 0 H PHE A 70 7.251 -15.619 -2.941 1.00 65.21 H new ATOM 0 HA PHE A 70 7.269 -13.760 -0.744 1.00 64.10 H new ATOM 0 HB2 PHE A 70 9.124 -15.370 -1.408 1.00 43.23 H new ATOM 0 HB3 PHE A 70 9.416 -14.364 -2.814 1.00 43.23 H new ATOM 0 HD1 PHE A 70 8.672 -13.461 0.744 1.00 33.22 H new ATOM 0 HD2 PHE A 70 11.435 -13.266 -2.492 1.00 1.03 H new ATOM 0 HE1 PHE A 70 10.136 -12.017 2.086 1.00 42.11 H new ATOM 0 HE2 PHE A 70 12.904 -11.823 -1.151 1.00 12.24 H new ATOM 0 HZ PHE A 70 12.253 -11.189 1.138 1.00 23.32 H new ATOM 1019 N ASN A 71 7.033 -12.678 -3.788 1.00 74.24 N ATOM 1020 CA ASN A 71 6.848 -11.492 -4.616 1.00 40.31 C ATOM 1021 C ASN A 71 5.806 -10.559 -4.006 1.00 21.33 C ATOM 1022 O ASN A 71 5.988 -9.342 -3.975 1.00 12.43 O ATOM 1023 CB ASN A 71 6.424 -11.892 -6.031 1.00 20.13 C ATOM 1024 CG ASN A 71 6.911 -10.911 -7.080 1.00 22.33 C ATOM 1025 OD1 ASN A 71 6.012 -10.057 -7.554 1.00 4.31 O flip ATOM 1026 ND2 ASN A 71 8.082 -10.922 -7.459 1.00 33.13 N flip ATOM 0 H ASN A 71 6.827 -13.558 -4.260 1.00 74.24 H new ATOM 0 HA ASN A 71 7.800 -10.963 -4.665 1.00 40.31 H new ATOM 0 HB2 ASN A 71 6.814 -12.885 -6.257 1.00 20.13 H new ATOM 0 HB3 ASN A 71 5.337 -11.958 -6.076 1.00 20.13 H new ATOM 0 HD21 ASN A 71 8.739 -11.597 -7.067 1.00 33.13 H new ATOM 0 HD22 ASN A 71 8.396 -10.256 -8.165 1.00 33.13 H new ATOM 1033 N THR A 72 4.713 -11.139 -3.520 1.00 30.33 N ATOM 1034 CA THR A 72 3.642 -10.362 -2.910 1.00 54.45 C ATOM 1035 C THR A 72 4.066 -9.808 -1.555 1.00 21.30 C ATOM 1036 O THR A 72 3.854 -8.632 -1.259 1.00 72.30 O ATOM 1037 CB THR A 72 2.366 -11.206 -2.731 1.00 22.52 C ATOM 1038 OG1 THR A 72 2.715 -12.568 -2.455 1.00 41.34 O ATOM 1039 CG2 THR A 72 1.495 -11.143 -3.976 1.00 61.03 C ATOM 0 H THR A 72 4.547 -12.145 -3.537 1.00 30.33 H new ATOM 0 HA THR A 72 3.429 -9.534 -3.586 1.00 54.45 H new ATOM 0 HB THR A 72 1.802 -10.798 -1.892 1.00 22.52 H new ATOM 0 HG1 THR A 72 1.899 -13.098 -2.341 1.00 41.34 H new ATOM 0 HG21 THR A 72 0.600 -11.747 -3.825 1.00 61.03 H new ATOM 0 HG22 THR A 72 1.207 -10.109 -4.167 1.00 61.03 H new ATOM 0 HG23 THR A 72 2.052 -11.528 -4.830 1.00 61.03 H new ATOM 1047 N VAL A 73 4.668 -10.663 -0.734 1.00 72.30 N ATOM 1048 CA VAL A 73 5.124 -10.259 0.590 1.00 21.14 C ATOM 1049 C VAL A 73 6.106 -9.096 0.502 1.00 12.01 C ATOM 1050 O VAL A 73 5.981 -8.108 1.226 1.00 24.12 O ATOM 1051 CB VAL A 73 5.796 -11.429 1.334 1.00 45.34 C ATOM 1052 CG1 VAL A 73 6.324 -10.970 2.685 1.00 74.52 C ATOM 1053 CG2 VAL A 73 4.823 -12.586 1.496 1.00 13.05 C ATOM 0 H VAL A 73 4.851 -11.640 -0.963 1.00 72.30 H new ATOM 0 HA VAL A 73 4.241 -9.944 1.146 1.00 21.14 H new ATOM 0 HB VAL A 73 6.642 -11.777 0.741 1.00 45.34 H new ATOM 0 HG11 VAL A 73 6.795 -11.810 3.196 1.00 74.52 H new ATOM 0 HG12 VAL A 73 7.057 -10.177 2.539 1.00 74.52 H new ATOM 0 HG13 VAL A 73 5.499 -10.594 3.290 1.00 74.52 H new ATOM 0 HG21 VAL A 73 5.314 -13.404 2.023 1.00 13.05 H new ATOM 0 HG22 VAL A 73 3.956 -12.255 2.067 1.00 13.05 H new ATOM 0 HG23 VAL A 73 4.500 -12.930 0.513 1.00 13.05 H new ATOM 1063 N VAL A 74 7.083 -9.220 -0.391 1.00 14.41 N ATOM 1064 CA VAL A 74 8.086 -8.178 -0.576 1.00 13.21 C ATOM 1065 C VAL A 74 7.438 -6.853 -0.963 1.00 74.54 C ATOM 1066 O VAL A 74 7.724 -5.814 -0.371 1.00 2.32 O ATOM 1067 CB VAL A 74 9.110 -8.571 -1.656 1.00 45.15 C ATOM 1068 CG1 VAL A 74 10.052 -7.412 -1.947 1.00 54.20 C ATOM 1069 CG2 VAL A 74 9.889 -9.806 -1.228 1.00 53.21 C ATOM 0 H VAL A 74 7.201 -10.032 -0.997 1.00 14.41 H new ATOM 0 HA VAL A 74 8.601 -8.062 0.378 1.00 13.21 H new ATOM 0 HB VAL A 74 8.571 -8.809 -2.573 1.00 45.15 H new ATOM 0 HG11 VAL A 74 10.769 -7.709 -2.713 1.00 54.20 H new ATOM 0 HG12 VAL A 74 9.477 -6.556 -2.300 1.00 54.20 H new ATOM 0 HG13 VAL A 74 10.586 -7.140 -1.037 1.00 54.20 H new ATOM 0 HG21 VAL A 74 10.608 -10.069 -2.004 1.00 53.21 H new ATOM 0 HG22 VAL A 74 10.418 -9.598 -0.298 1.00 53.21 H new ATOM 0 HG23 VAL A 74 9.200 -10.636 -1.076 1.00 53.21 H new ATOM 1079 N ALA A 75 6.562 -6.899 -1.962 1.00 31.41 N ATOM 1080 CA ALA A 75 5.871 -5.703 -2.427 1.00 74.53 C ATOM 1081 C ALA A 75 5.063 -5.063 -1.303 1.00 63.51 C ATOM 1082 O ALA A 75 5.076 -3.844 -1.134 1.00 32.24 O ATOM 1083 CB ALA A 75 4.966 -6.041 -3.603 1.00 50.24 C ATOM 0 H ALA A 75 6.314 -7.752 -2.464 1.00 31.41 H new ATOM 0 HA ALA A 75 6.622 -4.984 -2.754 1.00 74.53 H new ATOM 0 HB1 ALA A 75 4.456 -5.139 -3.941 1.00 50.24 H new ATOM 0 HB2 ALA A 75 5.565 -6.446 -4.419 1.00 50.24 H new ATOM 0 HB3 ALA A 75 4.228 -6.781 -3.293 1.00 50.24 H new ATOM 1089 N ARG A 76 4.362 -5.893 -0.538 1.00 72.40 N ATOM 1090 CA ARG A 76 3.547 -5.408 0.569 1.00 11.40 C ATOM 1091 C ARG A 76 4.424 -4.848 1.685 1.00 22.01 C ATOM 1092 O ARG A 76 4.049 -3.891 2.363 1.00 44.41 O ATOM 1093 CB ARG A 76 2.666 -6.533 1.114 1.00 31.21 C ATOM 1094 CG ARG A 76 1.274 -6.567 0.504 1.00 63.21 C ATOM 1095 CD ARG A 76 1.333 -6.591 -1.016 1.00 14.55 C ATOM 1096 NE ARG A 76 0.001 -6.633 -1.614 1.00 1.22 N ATOM 1097 CZ ARG A 76 -0.749 -7.728 -1.660 1.00 53.14 C ATOM 1098 NH1 ARG A 76 -0.301 -8.865 -1.146 1.00 52.14 N ATOM 1099 NH2 ARG A 76 -1.951 -7.687 -2.222 1.00 1.13 N ATOM 0 H ARG A 76 4.342 -6.905 -0.665 1.00 72.40 H new ATOM 0 HA ARG A 76 2.910 -4.607 0.194 1.00 11.40 H new ATOM 0 HB2 ARG A 76 3.157 -7.489 0.931 1.00 31.21 H new ATOM 0 HB3 ARG A 76 2.577 -6.422 2.195 1.00 31.21 H new ATOM 0 HG2 ARG A 76 0.740 -7.447 0.863 1.00 63.21 H new ATOM 0 HG3 ARG A 76 0.709 -5.695 0.834 1.00 63.21 H new ATOM 0 HD2 ARG A 76 1.863 -5.708 -1.372 1.00 14.55 H new ATOM 0 HD3 ARG A 76 1.905 -7.459 -1.343 1.00 14.55 H new ATOM 0 HE ARG A 76 -0.373 -5.775 -2.018 1.00 1.22 H new ATOM 0 HH11 ARG A 76 0.622 -8.900 -0.714 1.00 52.14 H new ATOM 0 HH12 ARG A 76 -0.879 -9.704 -1.183 1.00 52.14 H new ATOM 0 HH21 ARG A 76 -2.299 -6.814 -2.619 1.00 1.13 H new ATOM 0 HH22 ARG A 76 -2.527 -8.528 -2.257 1.00 1.13 H new ATOM 1113 N HIS A 77 5.594 -5.452 1.871 1.00 74.10 N ATOM 1114 CA HIS A 77 6.525 -5.014 2.905 1.00 74.21 C ATOM 1115 C HIS A 77 7.273 -3.759 2.466 1.00 60.21 C ATOM 1116 O HIS A 77 7.700 -2.956 3.296 1.00 61.52 O ATOM 1117 CB HIS A 77 7.520 -6.128 3.230 1.00 70.42 C ATOM 1118 CG HIS A 77 6.946 -7.213 4.089 1.00 51.24 C ATOM 1119 ND1 HIS A 77 5.768 -7.072 4.791 1.00 32.12 N ATOM 1120 CD2 HIS A 77 7.394 -8.462 4.355 1.00 71.14 C ATOM 1121 CE1 HIS A 77 5.517 -8.187 5.454 1.00 71.24 C ATOM 1122 NE2 HIS A 77 6.488 -9.047 5.205 1.00 5.13 N ATOM 0 H HIS A 77 5.920 -6.246 1.319 1.00 74.10 H new ATOM 0 HA HIS A 77 5.950 -4.778 3.801 1.00 74.21 H new ATOM 0 HB2 HIS A 77 7.880 -6.565 2.299 1.00 70.42 H new ATOM 0 HB3 HIS A 77 8.384 -5.696 3.734 1.00 70.42 H new ATOM 0 HD2 HIS A 77 8.296 -8.914 3.970 1.00 71.14 H new ATOM 0 HE1 HIS A 77 4.663 -8.365 6.091 1.00 71.24 H new ATOM 0 HE2 HIS A 77 6.554 -9.992 5.583 1.00 5.13 H new ATOM 1130 N VAL A 78 7.429 -3.597 1.156 1.00 40.12 N ATOM 1131 CA VAL A 78 8.126 -2.440 0.606 1.00 14.25 C ATOM 1132 C VAL A 78 7.512 -1.139 1.111 1.00 3.52 C ATOM 1133 O VAL A 78 6.376 -0.805 0.776 1.00 53.02 O ATOM 1134 CB VAL A 78 8.095 -2.445 -0.933 1.00 62.55 C ATOM 1135 CG1 VAL A 78 8.478 -1.079 -1.480 1.00 40.33 C ATOM 1136 CG2 VAL A 78 9.017 -3.525 -1.480 1.00 42.12 C ATOM 0 H VAL A 78 7.082 -4.252 0.456 1.00 40.12 H new ATOM 0 HA VAL A 78 9.161 -2.505 0.941 1.00 14.25 H new ATOM 0 HB VAL A 78 7.079 -2.667 -1.258 1.00 62.55 H new ATOM 0 HG11 VAL A 78 8.450 -1.102 -2.569 1.00 40.33 H new ATOM 0 HG12 VAL A 78 7.774 -0.331 -1.115 1.00 40.33 H new ATOM 0 HG13 VAL A 78 9.484 -0.823 -1.148 1.00 40.33 H new ATOM 0 HG21 VAL A 78 8.983 -3.515 -2.569 1.00 42.12 H new ATOM 0 HG22 VAL A 78 10.037 -3.335 -1.147 1.00 42.12 H new ATOM 0 HG23 VAL A 78 8.692 -4.500 -1.116 1.00 42.12 H new ATOM 1146 N ARG A 79 8.273 -0.407 1.919 1.00 53.31 N ATOM 1147 CA ARG A 79 7.804 0.859 2.471 1.00 72.40 C ATOM 1148 C ARG A 79 8.978 1.767 2.822 1.00 24.04 C ATOM 1149 O ARG A 79 10.113 1.319 2.991 1.00 72.12 O ATOM 1150 CB ARG A 79 6.947 0.611 3.714 1.00 61.11 C ATOM 1151 CG ARG A 79 5.463 0.846 3.487 1.00 13.23 C ATOM 1152 CD ARG A 79 4.824 1.555 4.671 1.00 10.32 C ATOM 1153 NE ARG A 79 3.392 1.765 4.476 1.00 11.00 N ATOM 1154 CZ ARG A 79 2.888 2.729 3.714 1.00 75.02 C ATOM 1155 NH1 ARG A 79 3.695 3.567 3.078 1.00 12.03 N ATOM 1156 NH2 ARG A 79 1.573 2.856 3.586 1.00 71.23 N ATOM 0 H ARG A 79 9.216 -0.669 2.206 1.00 53.31 H new ATOM 0 HA ARG A 79 7.198 1.355 1.713 1.00 72.40 H new ATOM 0 HB2 ARG A 79 7.097 -0.415 4.049 1.00 61.11 H new ATOM 0 HB3 ARG A 79 7.291 1.262 4.518 1.00 61.11 H new ATOM 0 HG2 ARG A 79 5.322 1.442 2.585 1.00 13.23 H new ATOM 0 HG3 ARG A 79 4.964 -0.108 3.320 1.00 13.23 H new ATOM 0 HD2 ARG A 79 4.984 0.967 5.575 1.00 10.32 H new ATOM 0 HD3 ARG A 79 5.314 2.517 4.825 1.00 10.32 H new ATOM 0 HE ARG A 79 2.744 1.137 4.951 1.00 11.00 H new ATOM 0 HH11 ARG A 79 4.706 3.472 3.173 1.00 12.03 H new ATOM 0 HH12 ARG A 79 3.305 4.306 2.494 1.00 12.03 H new ATOM 0 HH21 ARG A 79 0.949 2.213 4.073 1.00 71.23 H new ATOM 0 HH22 ARG A 79 1.187 3.597 3.001 1.00 71.23 H new ATOM 1170 N PRO A 80 8.702 3.075 2.936 1.00 63.35 N ATOM 1171 CA PRO A 80 9.723 4.073 3.268 1.00 53.32 C ATOM 1172 C PRO A 80 10.206 3.951 4.709 1.00 64.33 C ATOM 1173 O PRO A 80 9.472 4.255 5.648 1.00 15.01 O ATOM 1174 CB PRO A 80 8.997 5.405 3.059 1.00 62.13 C ATOM 1175 CG PRO A 80 7.555 5.085 3.250 1.00 30.45 C ATOM 1176 CD PRO A 80 7.373 3.679 2.748 1.00 34.03 C ATOM 0 HA PRO A 80 10.619 3.959 2.657 1.00 53.32 H new ATOM 0 HB2 PRO A 80 9.334 6.156 3.774 1.00 62.13 H new ATOM 0 HB3 PRO A 80 9.185 5.806 2.063 1.00 62.13 H new ATOM 0 HG2 PRO A 80 7.273 5.164 4.300 1.00 30.45 H new ATOM 0 HG3 PRO A 80 6.924 5.781 2.698 1.00 30.45 H new ATOM 0 HD2 PRO A 80 6.607 3.147 3.312 1.00 34.03 H new ATOM 0 HD3 PRO A 80 7.068 3.662 1.702 1.00 34.03 H new ATOM 1184 N SER A 81 11.447 3.503 4.876 1.00 51.53 N ATOM 1185 CA SER A 81 12.027 3.338 6.203 1.00 24.40 C ATOM 1186 C SER A 81 11.214 2.349 7.032 1.00 32.51 C ATOM 1187 O SER A 81 11.003 2.550 8.228 1.00 53.04 O ATOM 1188 CB SER A 81 12.100 4.685 6.923 1.00 2.51 C ATOM 1189 OG SER A 81 12.303 5.745 6.004 1.00 61.53 O ATOM 0 H SER A 81 12.069 3.248 4.109 1.00 51.53 H new ATOM 0 HA SER A 81 13.036 2.943 6.084 1.00 24.40 H new ATOM 0 HB2 SER A 81 11.178 4.854 7.479 1.00 2.51 H new ATOM 0 HB3 SER A 81 12.912 4.669 7.649 1.00 2.51 H new ATOM 0 HG SER A 81 12.344 6.595 6.489 1.00 61.53 H new ATOM 1195 N ALA A 82 10.759 1.279 6.387 1.00 23.14 N ATOM 1196 CA ALA A 82 9.971 0.257 7.064 1.00 34.11 C ATOM 1197 C ALA A 82 10.825 -0.958 7.407 1.00 23.52 C ATOM 1198 O ALA A 82 11.312 -1.658 6.519 1.00 74.02 O ATOM 1199 CB ALA A 82 8.787 -0.154 6.201 1.00 63.44 C ATOM 0 H ALA A 82 10.923 1.098 5.397 1.00 23.14 H new ATOM 0 HA ALA A 82 9.598 0.680 7.997 1.00 34.11 H new ATOM 0 HB1 ALA A 82 8.207 -0.918 6.719 1.00 63.44 H new ATOM 0 HB2 ALA A 82 8.156 0.714 6.012 1.00 63.44 H new ATOM 0 HB3 ALA A 82 9.149 -0.553 5.253 1.00 63.44 H new ATOM 1205 N SER A 83 11.005 -1.204 8.701 1.00 10.42 N ATOM 1206 CA SER A 83 11.805 -2.332 9.162 1.00 62.35 C ATOM 1207 C SER A 83 10.944 -3.333 9.925 1.00 32.44 C ATOM 1208 O SER A 83 10.214 -2.965 10.847 1.00 63.05 O ATOM 1209 CB SER A 83 12.950 -1.844 10.051 1.00 10.03 C ATOM 1210 OG SER A 83 12.465 -1.393 11.304 1.00 3.21 O ATOM 0 H SER A 83 10.607 -0.636 9.449 1.00 10.42 H new ATOM 0 HA SER A 83 12.222 -2.831 8.287 1.00 62.35 H new ATOM 0 HB2 SER A 83 13.666 -2.652 10.204 1.00 10.03 H new ATOM 0 HB3 SER A 83 13.484 -1.035 9.551 1.00 10.03 H new ATOM 0 HG SER A 83 11.562 -1.745 11.451 1.00 3.21 H new ATOM 1216 N ILE A 84 11.034 -4.600 9.536 1.00 61.43 N ATOM 1217 CA ILE A 84 10.264 -5.655 10.184 1.00 65.13 C ATOM 1218 C ILE A 84 11.105 -6.913 10.371 1.00 62.53 C ATOM 1219 O ILE A 84 12.068 -7.161 9.644 1.00 53.22 O ATOM 1220 CB ILE A 84 9.003 -6.010 9.375 1.00 50.34 C ATOM 1221 CG1 ILE A 84 9.353 -6.192 7.896 1.00 2.23 C ATOM 1222 CG2 ILE A 84 7.944 -4.931 9.545 1.00 40.44 C ATOM 1223 CD1 ILE A 84 8.654 -7.367 7.250 1.00 30.21 C ATOM 0 H ILE A 84 11.633 -4.921 8.775 1.00 61.43 H new ATOM 0 HA ILE A 84 9.964 -5.273 11.160 1.00 65.13 H new ATOM 0 HB ILE A 84 8.600 -6.950 9.752 1.00 50.34 H new ATOM 0 HG12 ILE A 84 9.093 -5.282 7.355 1.00 2.23 H new ATOM 0 HG13 ILE A 84 10.431 -6.323 7.799 1.00 2.23 H new ATOM 0 HG21 ILE A 84 7.059 -5.196 8.967 1.00 40.44 H new ATOM 0 HG22 ILE A 84 7.678 -4.845 10.598 1.00 40.44 H new ATOM 0 HG23 ILE A 84 8.336 -3.977 9.191 1.00 40.44 H new ATOM 0 HD11 ILE A 84 8.949 -7.435 6.203 1.00 30.21 H new ATOM 0 HD12 ILE A 84 8.934 -8.285 7.766 1.00 30.21 H new ATOM 0 HD13 ILE A 84 7.575 -7.229 7.315 1.00 30.21 H new ATOM 1235 N PRO A 85 10.734 -7.730 11.368 1.00 70.44 N ATOM 1236 CA PRO A 85 11.439 -8.979 11.672 1.00 2.13 C ATOM 1237 C PRO A 85 11.233 -10.039 10.596 1.00 51.24 C ATOM 1238 O PRO A 85 10.107 -10.292 10.167 1.00 11.11 O ATOM 1239 CB PRO A 85 10.810 -9.429 12.993 1.00 13.31 C ATOM 1240 CG PRO A 85 9.455 -8.809 12.997 1.00 11.04 C ATOM 1241 CD PRO A 85 9.597 -7.498 12.274 1.00 73.41 C ATOM 0 HA PRO A 85 12.518 -8.835 11.725 1.00 2.13 H new ATOM 0 HB2 PRO A 85 10.748 -10.516 13.052 1.00 13.31 H new ATOM 0 HB3 PRO A 85 11.400 -9.096 13.847 1.00 13.31 H new ATOM 0 HG2 PRO A 85 8.730 -9.453 12.499 1.00 11.04 H new ATOM 0 HG3 PRO A 85 9.099 -8.656 14.016 1.00 11.04 H new ATOM 0 HD2 PRO A 85 8.691 -7.242 11.725 1.00 73.41 H new ATOM 0 HD3 PRO A 85 9.794 -6.678 12.964 1.00 73.41 H new ATOM 1249 N VAL A 86 12.327 -10.656 10.162 1.00 23.52 N ATOM 1250 CA VAL A 86 12.266 -11.691 9.136 1.00 11.33 C ATOM 1251 C VAL A 86 12.821 -13.012 9.655 1.00 62.54 C ATOM 1252 O VAL A 86 13.776 -13.035 10.431 1.00 22.32 O ATOM 1253 CB VAL A 86 13.048 -11.277 7.875 1.00 35.32 C ATOM 1254 CG1 VAL A 86 14.541 -11.236 8.162 1.00 72.33 C ATOM 1255 CG2 VAL A 86 12.743 -12.226 6.725 1.00 12.44 C ATOM 0 H VAL A 86 13.267 -10.457 10.505 1.00 23.52 H new ATOM 0 HA VAL A 86 11.215 -11.819 8.877 1.00 11.33 H new ATOM 0 HB VAL A 86 12.731 -10.275 7.584 1.00 35.32 H new ATOM 0 HG11 VAL A 86 15.077 -10.942 7.260 1.00 72.33 H new ATOM 0 HG12 VAL A 86 14.740 -10.514 8.954 1.00 72.33 H new ATOM 0 HG13 VAL A 86 14.878 -12.223 8.478 1.00 72.33 H new ATOM 0 HG21 VAL A 86 13.303 -11.919 5.842 1.00 12.44 H new ATOM 0 HG22 VAL A 86 13.031 -13.240 7.004 1.00 12.44 H new ATOM 0 HG23 VAL A 86 11.676 -12.200 6.505 1.00 12.44 H new ATOM 1265 N VAL A 87 12.217 -14.113 9.219 1.00 32.52 N ATOM 1266 CA VAL A 87 12.652 -15.441 9.638 1.00 54.33 C ATOM 1267 C VAL A 87 13.468 -16.122 8.545 1.00 55.34 C ATOM 1268 O VAL A 87 12.954 -16.418 7.465 1.00 24.04 O ATOM 1269 CB VAL A 87 11.452 -16.336 10.001 1.00 51.13 C ATOM 1270 CG1 VAL A 87 10.431 -16.345 8.873 1.00 44.43 C ATOM 1271 CG2 VAL A 87 11.919 -17.748 10.319 1.00 33.24 C ATOM 0 H VAL A 87 11.425 -14.112 8.576 1.00 32.52 H new ATOM 0 HA VAL A 87 13.275 -15.306 10.522 1.00 54.33 H new ATOM 0 HB VAL A 87 10.972 -15.927 10.890 1.00 51.13 H new ATOM 0 HG11 VAL A 87 9.591 -16.983 9.148 1.00 44.43 H new ATOM 0 HG12 VAL A 87 10.074 -15.330 8.697 1.00 44.43 H new ATOM 0 HG13 VAL A 87 10.896 -16.729 7.965 1.00 44.43 H new ATOM 0 HG21 VAL A 87 11.059 -18.367 10.573 1.00 33.24 H new ATOM 0 HG22 VAL A 87 12.424 -18.169 9.450 1.00 33.24 H new ATOM 0 HG23 VAL A 87 12.609 -17.722 11.162 1.00 33.24 H new ATOM 1281 N PHE A 88 14.742 -16.368 8.831 1.00 15.14 N ATOM 1282 CA PHE A 88 15.630 -17.014 7.872 1.00 31.25 C ATOM 1283 C PHE A 88 16.236 -18.284 8.463 1.00 42.02 C ATOM 1284 O PHE A 88 16.314 -18.439 9.681 1.00 30.14 O ATOM 1285 CB PHE A 88 16.743 -16.054 7.448 1.00 11.45 C ATOM 1286 CG PHE A 88 17.667 -15.674 8.570 1.00 20.41 C ATOM 1287 CD1 PHE A 88 17.323 -14.668 9.459 1.00 62.43 C ATOM 1288 CD2 PHE A 88 18.880 -16.324 8.736 1.00 51.44 C ATOM 1289 CE1 PHE A 88 18.171 -14.317 10.492 1.00 22.22 C ATOM 1290 CE2 PHE A 88 19.732 -15.977 9.767 1.00 34.14 C ATOM 1291 CZ PHE A 88 19.377 -14.972 10.646 1.00 45.10 C ATOM 0 H PHE A 88 15.183 -16.130 9.719 1.00 15.14 H new ATOM 0 HA PHE A 88 15.042 -17.286 6.996 1.00 31.25 H new ATOM 0 HB2 PHE A 88 17.324 -16.515 6.649 1.00 11.45 H new ATOM 0 HB3 PHE A 88 16.295 -15.150 7.035 1.00 11.45 H new ATOM 0 HD1 PHE A 88 16.381 -14.152 9.343 1.00 62.43 H new ATOM 0 HD2 PHE A 88 19.162 -17.110 8.052 1.00 51.44 H new ATOM 0 HE1 PHE A 88 17.891 -13.531 11.178 1.00 22.22 H new ATOM 0 HE2 PHE A 88 20.674 -16.491 9.886 1.00 34.14 H new ATOM 0 HZ PHE A 88 20.042 -14.699 11.452 1.00 45.10 H new ATOM 1301 N SER A 89 16.664 -19.190 7.589 1.00 12.12 N ATOM 1302 CA SER A 89 17.259 -20.448 8.023 1.00 62.53 C ATOM 1303 C SER A 89 18.606 -20.674 7.343 1.00 25.55 C ATOM 1304 O SER A 89 18.819 -20.252 6.207 1.00 65.42 O ATOM 1305 CB SER A 89 16.318 -21.615 7.715 1.00 1.11 C ATOM 1306 OG SER A 89 15.487 -21.906 8.825 1.00 22.24 O ATOM 0 H SER A 89 16.610 -19.076 6.577 1.00 12.12 H new ATOM 0 HA SER A 89 17.419 -20.394 9.100 1.00 62.53 H new ATOM 0 HB2 SER A 89 15.702 -21.371 6.850 1.00 1.11 H new ATOM 0 HB3 SER A 89 16.902 -22.497 7.452 1.00 1.11 H new ATOM 0 HG SER A 89 16.030 -21.943 9.640 1.00 22.24 H new ATOM 1312 N ARG A 90 19.513 -21.343 8.049 1.00 73.32 N ATOM 1313 CA ARG A 90 20.840 -21.625 7.516 1.00 61.02 C ATOM 1314 C ARG A 90 21.100 -23.128 7.471 1.00 5.12 C ATOM 1315 O ARG A 90 21.736 -23.685 8.367 1.00 51.33 O ATOM 1316 CB ARG A 90 21.911 -20.936 8.364 1.00 35.23 C ATOM 1317 CG ARG A 90 22.467 -19.670 7.733 1.00 71.41 C ATOM 1318 CD ARG A 90 23.336 -18.896 8.711 1.00 1.30 C ATOM 1319 NE ARG A 90 24.350 -18.096 8.028 1.00 33.21 N ATOM 1320 CZ ARG A 90 25.434 -18.613 7.461 1.00 71.13 C ATOM 1321 NH1 ARG A 90 25.644 -19.922 7.494 1.00 12.21 N ATOM 1322 NH2 ARG A 90 26.311 -17.820 6.858 1.00 74.32 N ATOM 0 H ARG A 90 19.352 -21.699 8.991 1.00 73.32 H new ATOM 0 HA ARG A 90 20.886 -21.235 6.499 1.00 61.02 H new ATOM 0 HB2 ARG A 90 21.489 -20.691 9.338 1.00 35.23 H new ATOM 0 HB3 ARG A 90 22.729 -21.635 8.538 1.00 35.23 H new ATOM 0 HG2 ARG A 90 23.052 -19.929 6.851 1.00 71.41 H new ATOM 0 HG3 ARG A 90 21.645 -19.038 7.396 1.00 71.41 H new ATOM 0 HD2 ARG A 90 22.707 -18.244 9.317 1.00 1.30 H new ATOM 0 HD3 ARG A 90 23.823 -19.593 9.393 1.00 1.30 H new ATOM 0 HE ARG A 90 24.218 -17.085 7.984 1.00 33.21 H new ATOM 0 HH11 ARG A 90 24.972 -20.535 7.956 1.00 12.21 H new ATOM 0 HH12 ARG A 90 26.478 -20.316 7.058 1.00 12.21 H new ATOM 0 HH21 ARG A 90 26.153 -16.813 6.830 1.00 74.32 H new ATOM 0 HH22 ARG A 90 27.143 -18.218 6.423 1.00 74.32 H new ATOM 1336 N ASP A 91 20.605 -23.778 6.424 1.00 11.01 N ATOM 1337 CA ASP A 91 20.784 -25.216 6.262 1.00 21.11 C ATOM 1338 C ASP A 91 20.130 -25.978 7.411 1.00 50.04 C ATOM 1339 O ASP A 91 20.667 -26.973 7.894 1.00 21.42 O ATOM 1340 CB ASP A 91 22.272 -25.561 6.187 1.00 3.01 C ATOM 1341 CG ASP A 91 23.074 -24.507 5.449 1.00 63.30 C ATOM 1342 OD1 ASP A 91 22.854 -24.339 4.231 1.00 0.41 O ATOM 1343 OD2 ASP A 91 23.921 -23.851 6.089 1.00 5.42 O ATOM 0 H ASP A 91 20.076 -23.332 5.674 1.00 11.01 H new ATOM 0 HA ASP A 91 20.302 -25.514 5.331 1.00 21.11 H new ATOM 0 HB2 ASP A 91 22.667 -25.673 7.197 1.00 3.01 H new ATOM 0 HB3 ASP A 91 22.394 -26.522 5.688 1.00 3.01 H new ATOM 1348 N GLY A 92 18.966 -25.502 7.843 1.00 3.34 N ATOM 1349 CA GLY A 92 18.259 -26.149 8.932 1.00 33.34 C ATOM 1350 C GLY A 92 18.447 -25.432 10.254 1.00 3.42 C ATOM 1351 O GLY A 92 18.119 -25.968 11.313 1.00 55.34 O ATOM 0 H GLY A 92 18.501 -24.680 7.458 1.00 3.34 H new ATOM 0 HA2 GLY A 92 17.196 -26.194 8.695 1.00 33.34 H new ATOM 0 HA3 GLY A 92 18.608 -27.177 9.027 1.00 33.34 H new ATOM 1355 N VAL A 93 18.980 -24.215 10.195 1.00 62.32 N ATOM 1356 CA VAL A 93 19.213 -23.423 11.396 1.00 11.04 C ATOM 1357 C VAL A 93 18.071 -22.442 11.637 1.00 3.34 C ATOM 1358 O VAL A 93 17.475 -21.922 10.694 1.00 63.12 O ATOM 1359 CB VAL A 93 20.537 -22.641 11.305 1.00 32.14 C ATOM 1360 CG1 VAL A 93 20.683 -21.698 12.490 1.00 32.21 C ATOM 1361 CG2 VAL A 93 21.716 -23.599 11.227 1.00 3.50 C ATOM 0 H VAL A 93 19.258 -23.757 9.327 1.00 62.32 H new ATOM 0 HA VAL A 93 19.270 -24.122 12.230 1.00 11.04 H new ATOM 0 HB VAL A 93 20.524 -22.042 10.395 1.00 32.14 H new ATOM 0 HG11 VAL A 93 21.624 -21.154 12.408 1.00 32.21 H new ATOM 0 HG12 VAL A 93 19.854 -20.990 12.496 1.00 32.21 H new ATOM 0 HG13 VAL A 93 20.675 -22.273 13.416 1.00 32.21 H new ATOM 0 HG21 VAL A 93 22.644 -23.030 11.163 1.00 3.50 H new ATOM 0 HG22 VAL A 93 21.735 -24.226 12.119 1.00 3.50 H new ATOM 0 HG23 VAL A 93 21.615 -24.229 10.343 1.00 3.50 H new ATOM 1371 N VAL A 94 17.771 -22.192 12.908 1.00 5.30 N ATOM 1372 CA VAL A 94 16.702 -21.271 13.274 1.00 11.12 C ATOM 1373 C VAL A 94 17.265 -19.970 13.836 1.00 33.44 C ATOM 1374 O VAL A 94 17.857 -19.954 14.915 1.00 11.30 O ATOM 1375 CB VAL A 94 15.753 -21.898 14.312 1.00 15.15 C ATOM 1376 CG1 VAL A 94 14.663 -20.912 14.704 1.00 10.53 C ATOM 1377 CG2 VAL A 94 15.149 -23.185 13.772 1.00 35.44 C ATOM 0 H VAL A 94 18.253 -22.615 13.701 1.00 5.30 H new ATOM 0 HA VAL A 94 16.143 -21.057 12.363 1.00 11.12 H new ATOM 0 HB VAL A 94 16.329 -22.140 15.205 1.00 15.15 H new ATOM 0 HG11 VAL A 94 14.002 -21.373 15.438 1.00 10.53 H new ATOM 0 HG12 VAL A 94 15.117 -20.020 15.134 1.00 10.53 H new ATOM 0 HG13 VAL A 94 14.087 -20.636 13.821 1.00 10.53 H new ATOM 0 HG21 VAL A 94 14.481 -23.615 14.519 1.00 35.44 H new ATOM 0 HG22 VAL A 94 14.587 -22.970 12.863 1.00 35.44 H new ATOM 0 HG23 VAL A 94 15.945 -23.894 13.547 1.00 35.44 H new ATOM 1387 N MET A 95 17.075 -18.882 13.098 1.00 41.11 N ATOM 1388 CA MET A 95 17.563 -17.575 13.524 1.00 32.31 C ATOM 1389 C MET A 95 16.632 -16.465 13.046 1.00 63.23 C ATOM 1390 O MET A 95 15.948 -16.610 12.033 1.00 52.32 O ATOM 1391 CB MET A 95 18.977 -17.336 12.991 1.00 31.34 C ATOM 1392 CG MET A 95 19.665 -16.131 13.613 1.00 73.54 C ATOM 1393 SD MET A 95 19.980 -16.344 15.375 1.00 1.11 S ATOM 1394 CE MET A 95 20.435 -14.675 15.841 1.00 35.32 C ATOM 0 H MET A 95 16.587 -18.879 12.202 1.00 41.11 H new ATOM 0 HA MET A 95 17.586 -17.561 14.614 1.00 32.31 H new ATOM 0 HB2 MET A 95 19.581 -18.224 13.175 1.00 31.34 H new ATOM 0 HB3 MET A 95 18.931 -17.200 11.910 1.00 31.34 H new ATOM 0 HG2 MET A 95 20.609 -15.951 13.098 1.00 73.54 H new ATOM 0 HG3 MET A 95 19.046 -15.246 13.463 1.00 73.54 H new ATOM 0 HE1 MET A 95 20.660 -14.643 16.907 1.00 35.32 H new ATOM 0 HE2 MET A 95 21.314 -14.366 15.275 1.00 35.32 H new ATOM 0 HE3 MET A 95 19.608 -13.999 15.625 1.00 35.32 H new ATOM 1404 N SER A 96 16.612 -15.358 13.781 1.00 62.11 N ATOM 1405 CA SER A 96 15.762 -14.225 13.434 1.00 63.24 C ATOM 1406 C SER A 96 16.537 -12.914 13.533 1.00 32.50 C ATOM 1407 O SER A 96 17.221 -12.659 14.524 1.00 52.45 O ATOM 1408 CB SER A 96 14.539 -14.178 14.351 1.00 74.45 C ATOM 1409 OG SER A 96 14.924 -14.081 15.711 1.00 50.23 O ATOM 0 H SER A 96 17.175 -15.221 14.621 1.00 62.11 H new ATOM 0 HA SER A 96 15.430 -14.354 12.404 1.00 63.24 H new ATOM 0 HB2 SER A 96 13.914 -13.325 14.085 1.00 74.45 H new ATOM 0 HB3 SER A 96 13.936 -15.074 14.204 1.00 74.45 H new ATOM 0 HG SER A 96 15.784 -13.615 15.775 1.00 50.23 H new ATOM 1415 N ALA A 97 16.424 -12.088 12.499 1.00 54.33 N ATOM 1416 CA ALA A 97 17.111 -10.803 12.469 1.00 12.42 C ATOM 1417 C ALA A 97 16.229 -9.723 11.851 1.00 2.32 C ATOM 1418 O ALA A 97 15.527 -9.966 10.869 1.00 14.14 O ATOM 1419 CB ALA A 97 18.419 -10.921 11.702 1.00 64.30 C ATOM 0 H ALA A 97 15.863 -12.286 11.670 1.00 54.33 H new ATOM 0 HA ALA A 97 17.330 -10.513 13.497 1.00 12.42 H new ATOM 0 HB1 ALA A 97 18.921 -9.954 11.688 1.00 64.30 H new ATOM 0 HB2 ALA A 97 19.061 -11.656 12.188 1.00 64.30 H new ATOM 0 HB3 ALA A 97 18.214 -11.238 10.680 1.00 64.30 H new ATOM 1425 N THR A 98 16.270 -8.528 12.433 1.00 54.35 N ATOM 1426 CA THR A 98 15.473 -7.411 11.940 1.00 1.12 C ATOM 1427 C THR A 98 16.179 -6.695 10.794 1.00 20.13 C ATOM 1428 O THR A 98 17.323 -6.260 10.933 1.00 73.13 O ATOM 1429 CB THR A 98 15.177 -6.395 13.060 1.00 72.41 C ATOM 1430 OG1 THR A 98 14.521 -7.048 14.152 1.00 35.43 O ATOM 1431 CG2 THR A 98 14.306 -5.260 12.544 1.00 11.10 C ATOM 0 H THR A 98 16.846 -8.309 13.246 1.00 54.35 H new ATOM 0 HA THR A 98 14.533 -7.828 11.580 1.00 1.12 H new ATOM 0 HB THR A 98 16.124 -5.978 13.402 1.00 72.41 H new ATOM 0 HG1 THR A 98 14.338 -6.396 14.861 1.00 35.43 H new ATOM 0 HG21 THR A 98 14.110 -4.555 13.352 1.00 11.10 H new ATOM 0 HG22 THR A 98 14.821 -4.747 11.732 1.00 11.10 H new ATOM 0 HG23 THR A 98 13.362 -5.663 12.178 1.00 11.10 H new ATOM 1439 N ILE A 99 15.491 -6.576 9.664 1.00 12.20 N ATOM 1440 CA ILE A 99 16.052 -5.911 8.495 1.00 43.51 C ATOM 1441 C ILE A 99 15.279 -4.640 8.161 1.00 13.52 C ATOM 1442 O ILE A 99 14.057 -4.665 8.008 1.00 24.30 O ATOM 1443 CB ILE A 99 16.050 -6.837 7.265 1.00 64.22 C ATOM 1444 CG1 ILE A 99 14.627 -7.303 6.952 1.00 11.11 C ATOM 1445 CG2 ILE A 99 16.964 -8.031 7.499 1.00 5.43 C ATOM 1446 CD1 ILE A 99 14.098 -6.785 5.633 1.00 71.42 C ATOM 0 H ILE A 99 14.544 -6.932 9.533 1.00 12.20 H new ATOM 0 HA ILE A 99 17.081 -5.653 8.744 1.00 43.51 H new ATOM 0 HB ILE A 99 16.426 -6.278 6.408 1.00 64.22 H new ATOM 0 HG12 ILE A 99 14.604 -8.393 6.940 1.00 11.11 H new ATOM 0 HG13 ILE A 99 13.963 -6.979 7.753 1.00 11.11 H new ATOM 0 HG21 ILE A 99 16.952 -8.676 6.621 1.00 5.43 H new ATOM 0 HG22 ILE A 99 17.981 -7.681 7.678 1.00 5.43 H new ATOM 0 HG23 ILE A 99 16.615 -8.592 8.366 1.00 5.43 H new ATOM 0 HD11 ILE A 99 13.085 -7.155 5.477 1.00 71.42 H new ATOM 0 HD12 ILE A 99 14.088 -5.695 5.648 1.00 71.42 H new ATOM 0 HD13 ILE A 99 14.740 -7.131 4.823 1.00 71.42 H new ATOM 1458 N VAL A 100 15.998 -3.528 8.048 1.00 44.30 N ATOM 1459 CA VAL A 100 15.380 -2.246 7.729 1.00 25.21 C ATOM 1460 C VAL A 100 15.658 -1.847 6.284 1.00 11.32 C ATOM 1461 O VAL A 100 16.796 -1.555 5.917 1.00 41.11 O ATOM 1462 CB VAL A 100 15.885 -1.131 8.664 1.00 24.43 C ATOM 1463 CG1 VAL A 100 17.400 -1.187 8.792 1.00 1.22 C ATOM 1464 CG2 VAL A 100 15.434 0.231 8.161 1.00 41.24 C ATOM 0 H VAL A 100 17.010 -3.489 8.173 1.00 44.30 H new ATOM 0 HA VAL A 100 14.306 -2.369 7.869 1.00 25.21 H new ATOM 0 HB VAL A 100 15.455 -1.288 9.653 1.00 24.43 H new ATOM 0 HG11 VAL A 100 17.739 -0.392 9.456 1.00 1.22 H new ATOM 0 HG12 VAL A 100 17.695 -2.153 9.202 1.00 1.22 H new ATOM 0 HG13 VAL A 100 17.853 -1.056 7.809 1.00 1.22 H new ATOM 0 HG21 VAL A 100 15.800 1.007 8.834 1.00 41.24 H new ATOM 0 HG22 VAL A 100 15.833 0.400 7.161 1.00 41.24 H new ATOM 0 HG23 VAL A 100 14.345 0.264 8.127 1.00 41.24 H new ATOM 1474 N VAL A 101 14.609 -1.835 5.467 1.00 22.23 N ATOM 1475 CA VAL A 101 14.739 -1.470 4.062 1.00 51.22 C ATOM 1476 C VAL A 101 14.237 -0.052 3.814 1.00 10.31 C ATOM 1477 O VAL A 101 13.118 0.296 4.188 1.00 12.11 O ATOM 1478 CB VAL A 101 13.963 -2.443 3.155 1.00 72.11 C ATOM 1479 CG1 VAL A 101 14.267 -2.167 1.690 1.00 1.45 C ATOM 1480 CG2 VAL A 101 14.294 -3.884 3.514 1.00 53.11 C ATOM 0 H VAL A 101 13.660 -2.074 5.755 1.00 22.23 H new ATOM 0 HA VAL A 101 15.800 -1.525 3.818 1.00 51.22 H new ATOM 0 HB VAL A 101 12.896 -2.288 3.315 1.00 72.11 H new ATOM 0 HG11 VAL A 101 13.709 -2.865 1.065 1.00 1.45 H new ATOM 0 HG12 VAL A 101 13.975 -1.146 1.444 1.00 1.45 H new ATOM 0 HG13 VAL A 101 15.335 -2.292 1.510 1.00 1.45 H new ATOM 0 HG21 VAL A 101 13.737 -4.558 2.863 1.00 53.11 H new ATOM 0 HG22 VAL A 101 15.363 -4.055 3.384 1.00 53.11 H new ATOM 0 HG23 VAL A 101 14.020 -4.073 4.552 1.00 53.11 H new ATOM 1490 N GLY A 102 15.074 0.764 3.180 1.00 54.23 N ATOM 1491 CA GLY A 102 14.697 2.136 2.892 1.00 32.21 C ATOM 1492 C GLY A 102 14.386 2.356 1.425 1.00 12.20 C ATOM 1493 O GLY A 102 15.281 2.316 0.582 1.00 42.40 O ATOM 0 H GLY A 102 16.006 0.500 2.861 1.00 54.23 H new ATOM 0 HA2 GLY A 102 13.825 2.403 3.489 1.00 32.21 H new ATOM 0 HA3 GLY A 102 15.505 2.802 3.193 1.00 32.21 H new ATOM 1497 N GLU A 103 13.113 2.588 1.120 1.00 72.43 N ATOM 1498 CA GLU A 103 12.687 2.812 -0.257 1.00 12.23 C ATOM 1499 C GLU A 103 12.687 4.301 -0.590 1.00 13.40 C ATOM 1500 O GLU A 103 12.859 4.691 -1.746 1.00 34.41 O ATOM 1501 CB GLU A 103 11.291 2.227 -0.484 1.00 2.51 C ATOM 1502 CG GLU A 103 11.307 0.804 -1.014 1.00 72.34 C ATOM 1503 CD GLU A 103 11.370 -0.231 0.093 1.00 41.35 C ATOM 1504 OE1 GLU A 103 11.125 -1.421 -0.194 1.00 63.34 O ATOM 1505 OE2 GLU A 103 11.664 0.150 1.245 1.00 71.11 O ATOM 0 H GLU A 103 12.360 2.626 1.807 1.00 72.43 H new ATOM 0 HA GLU A 103 13.395 2.310 -0.916 1.00 12.23 H new ATOM 0 HB2 GLU A 103 10.739 2.250 0.456 1.00 2.51 H new ATOM 0 HB3 GLU A 103 10.750 2.861 -1.186 1.00 2.51 H new ATOM 0 HG2 GLU A 103 10.413 0.634 -1.615 1.00 72.34 H new ATOM 0 HG3 GLU A 103 12.164 0.676 -1.675 1.00 72.34 H new