USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 738 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 73 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 96 GLN : amide:sc= -0.768 K(o=-0.77,f=0.06) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 1.21 (180deg=0.154) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -155:sc= 0 (180deg=-0.899) USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= 0.917 (180deg=0.832) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc=-0.00302 X(o=-0.003,f=-0.091) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.079 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 35 TYR OH : rot -124:sc= 1.28 USER MOD Single : A 38 MET CE :methyl -144:sc=-0.00208 (180deg=-0.895) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.085 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0335) USER MOD Single : A 51 THR OG1 : rot 150:sc= -0.477 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 170:sc= 1.3 USER MOD Single : A 59 SER OG : rot -110:sc= -0.0763 USER MOD Single : A 82 TYR OH : rot 25:sc= 1.27 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.545 K(o=0.55,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -174:sc= -0.232 (180deg=-0.313) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.673 7.526 -9.385 1.00 0.00 N ATOM 2 CA GLY A 1 -11.085 7.830 -9.117 1.00 0.00 C ATOM 3 C GLY A 1 -11.304 9.286 -8.722 1.00 0.00 C ATOM 4 O GLY A 1 -10.349 9.980 -8.358 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.603 6.908 -10.218 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.156 8.410 -9.565 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.259 7.045 -8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.677 7.605 -10.004 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.448 7.182 -8.319 1.00 0.00 H new ATOM 8 N SER A 2 -12.561 9.746 -8.765 1.00 0.00 N ATOM 9 CA SER A 2 -12.955 11.118 -8.460 1.00 0.00 C ATOM 10 C SER A 2 -14.291 11.137 -7.702 1.00 0.00 C ATOM 11 O SER A 2 -15.204 10.363 -8.009 1.00 0.00 O ATOM 12 CB SER A 2 -13.005 11.934 -9.762 1.00 0.00 C ATOM 13 OG SER A 2 -13.595 11.209 -10.831 1.00 0.00 O ATOM 0 H SER A 2 -13.351 9.153 -9.021 1.00 0.00 H new ATOM 0 HA SER A 2 -12.218 11.581 -7.804 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.570 12.850 -9.592 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.994 12.230 -10.041 1.00 0.00 H new ATOM 0 HG SER A 2 -13.607 11.767 -11.637 1.00 0.00 H new ATOM 19 N HIS A 3 -14.419 12.057 -6.741 1.00 0.00 N ATOM 20 CA HIS A 3 -15.469 12.089 -5.720 1.00 0.00 C ATOM 21 C HIS A 3 -15.698 10.708 -5.084 1.00 0.00 C ATOM 22 O HIS A 3 -16.843 10.278 -4.926 1.00 0.00 O ATOM 23 CB HIS A 3 -16.780 12.684 -6.263 1.00 0.00 C ATOM 24 CG HIS A 3 -16.733 14.079 -6.822 1.00 0.00 C ATOM 25 ND1 HIS A 3 -16.706 15.251 -6.096 1.00 0.00 N ATOM 26 CD2 HIS A 3 -16.890 14.406 -8.142 1.00 0.00 C ATOM 27 CE1 HIS A 3 -16.830 16.269 -6.964 1.00 0.00 C ATOM 28 NE2 HIS A 3 -16.921 15.803 -8.222 1.00 0.00 N ATOM 0 H HIS A 3 -13.764 12.834 -6.650 1.00 0.00 H new ATOM 0 HA HIS A 3 -15.116 12.751 -4.930 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -17.151 12.021 -7.045 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -17.514 12.669 -5.458 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -16.974 13.715 -8.968 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -16.853 17.313 -6.690 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -16.998 16.361 -9.072 1.00 0.00 H new ATOM 36 N GLU A 4 -14.628 9.996 -4.719 1.00 0.00 N ATOM 37 CA GLU A 4 -14.765 8.705 -4.050 1.00 0.00 C ATOM 38 C GLU A 4 -13.604 8.509 -3.076 1.00 0.00 C ATOM 39 O GLU A 4 -12.483 8.964 -3.354 1.00 0.00 O ATOM 40 CB GLU A 4 -14.791 7.584 -5.102 1.00 0.00 C ATOM 41 CG GLU A 4 -15.901 6.570 -4.833 1.00 0.00 C ATOM 42 CD GLU A 4 -15.626 5.216 -5.493 1.00 0.00 C ATOM 43 OE1 GLU A 4 -14.832 5.156 -6.464 1.00 0.00 O ATOM 44 OE2 GLU A 4 -16.123 4.196 -4.968 1.00 0.00 O ATOM 0 H GLU A 4 -13.664 10.292 -4.875 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.698 8.675 -3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.930 8.019 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.828 7.073 -5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.010 6.431 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.848 6.965 -5.201 1.00 0.00 H new ATOM 51 N GLY A 5 -13.835 7.811 -1.963 1.00 0.00 N ATOM 52 CA GLY A 5 -12.891 7.725 -0.860 1.00 0.00 C ATOM 53 C GLY A 5 -12.986 6.369 -0.185 1.00 0.00 C ATOM 54 O GLY A 5 -13.443 6.279 0.953 1.00 0.00 O ATOM 0 H GLY A 5 -14.695 7.285 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.877 7.885 -1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.096 8.514 -0.136 1.00 0.00 H new ATOM 58 N GLU A 6 -12.504 5.336 -0.871 1.00 0.00 N ATOM 59 CA GLU A 6 -12.310 3.963 -0.383 1.00 0.00 C ATOM 60 C GLU A 6 -10.870 3.559 -0.765 1.00 0.00 C ATOM 61 O GLU A 6 -10.639 2.887 -1.776 1.00 0.00 O ATOM 62 CB GLU A 6 -13.362 3.066 -1.011 1.00 0.00 C ATOM 63 CG GLU A 6 -14.624 2.866 -0.162 1.00 0.00 C ATOM 64 CD GLU A 6 -14.391 1.858 0.968 1.00 0.00 C ATOM 65 OE1 GLU A 6 -13.852 2.242 2.032 1.00 0.00 O ATOM 66 OE2 GLU A 6 -14.721 0.661 0.803 1.00 0.00 O ATOM 0 H GLU A 6 -12.219 5.436 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.428 3.874 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.651 3.487 -1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.917 2.091 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.934 3.822 0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.439 2.519 -0.797 1.00 0.00 H new ATOM 73 N PRO A 7 -9.883 4.042 0.003 1.00 0.00 N ATOM 74 CA PRO A 7 -8.453 3.950 -0.264 1.00 0.00 C ATOM 75 C PRO A 7 -7.984 2.565 0.206 1.00 0.00 C ATOM 76 O PRO A 7 -7.201 2.426 1.150 1.00 0.00 O ATOM 77 CB PRO A 7 -7.847 5.133 0.519 1.00 0.00 C ATOM 78 CG PRO A 7 -8.793 5.265 1.717 1.00 0.00 C ATOM 79 CD PRO A 7 -10.147 4.789 1.204 1.00 0.00 C ATOM 0 HA PRO A 7 -8.156 4.025 -1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.823 4.929 0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.822 6.044 -0.079 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.454 4.659 2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.844 6.296 2.068 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.648 4.168 1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.805 5.634 1.000 1.00 0.00 H new ATOM 87 N VAL A 8 -8.505 1.528 -0.443 1.00 0.00 N ATOM 88 CA VAL A 8 -8.466 0.154 0.032 1.00 0.00 C ATOM 89 C VAL A 8 -8.118 -0.745 -1.145 1.00 0.00 C ATOM 90 O VAL A 8 -8.567 -0.512 -2.272 1.00 0.00 O ATOM 91 CB VAL A 8 -9.813 -0.215 0.694 1.00 0.00 C ATOM 92 CG1 VAL A 8 -9.775 -1.663 1.192 1.00 0.00 C ATOM 93 CG2 VAL A 8 -10.139 0.697 1.889 1.00 0.00 C ATOM 0 H VAL A 8 -8.980 1.626 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.702 0.023 0.798 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.584 -0.087 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.729 -1.913 1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.595 -2.332 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.975 -1.775 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.094 0.401 2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.355 0.606 2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.199 1.732 1.551 1.00 0.00 H new ATOM 103 N VAL A 9 -7.290 -1.762 -0.895 1.00 0.00 N ATOM 104 CA VAL A 9 -6.847 -2.724 -1.892 1.00 0.00 C ATOM 105 C VAL A 9 -8.001 -3.704 -2.147 1.00 0.00 C ATOM 106 O VAL A 9 -7.998 -4.828 -1.648 1.00 0.00 O ATOM 107 CB VAL A 9 -5.514 -3.373 -1.447 1.00 0.00 C ATOM 108 CG1 VAL A 9 -4.965 -4.311 -2.527 1.00 0.00 C ATOM 109 CG2 VAL A 9 -4.426 -2.333 -1.140 1.00 0.00 C ATOM 0 H VAL A 9 -6.902 -1.939 0.032 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.616 -2.254 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.749 -3.928 -0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.028 -4.751 -2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.688 -5.103 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.788 -3.747 -3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.512 -2.842 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.228 -1.739 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.764 -1.679 -0.337 1.00 0.00 H new ATOM 119 N GLY A 10 -8.987 -3.256 -2.927 1.00 0.00 N ATOM 120 CA GLY A 10 -10.201 -3.984 -3.248 1.00 0.00 C ATOM 121 C GLY A 10 -10.526 -3.832 -4.727 1.00 0.00 C ATOM 122 O GLY A 10 -11.456 -3.117 -5.098 1.00 0.00 O ATOM 0 H GLY A 10 -8.953 -2.337 -3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.078 -5.039 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.029 -3.610 -2.645 1.00 0.00 H new ATOM 126 N MET A 11 -9.737 -4.496 -5.575 1.00 0.00 N ATOM 127 CA MET A 11 -9.894 -4.576 -7.029 1.00 0.00 C ATOM 128 C MET A 11 -9.836 -3.239 -7.785 1.00 0.00 C ATOM 129 O MET A 11 -10.061 -3.241 -8.998 1.00 0.00 O ATOM 130 CB MET A 11 -11.143 -5.399 -7.397 1.00 0.00 C ATOM 131 CG MET A 11 -10.973 -6.882 -7.053 1.00 0.00 C ATOM 132 SD MET A 11 -12.053 -7.509 -5.742 1.00 0.00 S ATOM 133 CE MET A 11 -10.863 -8.524 -4.829 1.00 0.00 C ATOM 0 H MET A 11 -8.927 -5.021 -5.247 1.00 0.00 H new ATOM 0 HA MET A 11 -9.003 -5.098 -7.379 1.00 0.00 H new ATOM 0 HB2 MET A 11 -12.009 -5.001 -6.868 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.345 -5.295 -8.463 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.148 -7.468 -7.955 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.937 -7.052 -6.758 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.393 -9.309 -4.289 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.159 -8.976 -5.528 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.320 -7.899 -4.120 1.00 0.00 H new ATOM 143 N ASP A 12 -9.466 -2.123 -7.152 1.00 0.00 N ATOM 144 CA ASP A 12 -8.953 -0.953 -7.864 1.00 0.00 C ATOM 145 C ASP A 12 -7.681 -0.461 -7.179 1.00 0.00 C ATOM 146 O ASP A 12 -7.434 -0.789 -6.014 1.00 0.00 O ATOM 147 CB ASP A 12 -9.995 0.167 -7.985 1.00 0.00 C ATOM 148 CG ASP A 12 -9.492 1.223 -8.976 1.00 0.00 C ATOM 149 OD1 ASP A 12 -9.407 0.904 -10.183 1.00 0.00 O ATOM 150 OD2 ASP A 12 -9.073 2.324 -8.558 1.00 0.00 O ATOM 0 H ASP A 12 -9.513 -2.006 -6.140 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.719 -1.254 -8.885 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.947 -0.242 -8.324 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.172 0.622 -7.010 1.00 0.00 H new ATOM 155 N LYS A 13 -6.854 0.299 -7.903 1.00 0.00 N ATOM 156 CA LYS A 13 -5.574 0.828 -7.445 1.00 0.00 C ATOM 157 C LYS A 13 -5.354 2.279 -7.889 1.00 0.00 C ATOM 158 O LYS A 13 -4.210 2.684 -8.092 1.00 0.00 O ATOM 159 CB LYS A 13 -4.442 -0.145 -7.829 1.00 0.00 C ATOM 160 CG LYS A 13 -4.437 -1.375 -6.899 1.00 0.00 C ATOM 161 CD LYS A 13 -3.040 -1.976 -6.746 1.00 0.00 C ATOM 162 CE LYS A 13 -2.932 -2.762 -5.440 1.00 0.00 C ATOM 163 NZ LYS A 13 -1.681 -3.542 -5.394 1.00 0.00 N ATOM 0 H LYS A 13 -7.070 0.571 -8.862 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.575 0.889 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.568 -0.466 -8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.481 0.366 -7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.817 -1.089 -5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.115 -2.131 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.826 -2.632 -7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.293 -1.182 -6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.968 -2.075 -4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.786 -3.432 -5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.487 -3.830 -4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.777 -4.388 -5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.895 -2.959 -5.745 1.00 0.00 H new ATOM 177 N SER A 14 -6.420 3.073 -8.006 1.00 0.00 N ATOM 178 CA SER A 14 -6.367 4.499 -8.316 1.00 0.00 C ATOM 179 C SER A 14 -7.291 5.303 -7.372 1.00 0.00 C ATOM 180 O SER A 14 -7.827 6.347 -7.744 1.00 0.00 O ATOM 181 CB SER A 14 -6.651 4.672 -9.818 1.00 0.00 C ATOM 182 OG SER A 14 -6.080 5.861 -10.336 1.00 0.00 O ATOM 0 H SER A 14 -7.372 2.729 -7.883 1.00 0.00 H new ATOM 0 HA SER A 14 -5.377 4.915 -8.130 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.256 3.814 -10.362 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.728 4.686 -9.983 1.00 0.00 H new ATOM 0 HG SER A 14 -6.282 5.931 -11.292 1.00 0.00 H new ATOM 188 N LEU A 15 -7.501 4.806 -6.143 1.00 0.00 N ATOM 189 CA LEU A 15 -8.361 5.394 -5.104 1.00 0.00 C ATOM 190 C LEU A 15 -7.564 5.846 -3.870 1.00 0.00 C ATOM 191 O LEU A 15 -8.151 6.236 -2.859 1.00 0.00 O ATOM 192 CB LEU A 15 -9.419 4.360 -4.662 1.00 0.00 C ATOM 193 CG LEU A 15 -10.413 3.938 -5.757 1.00 0.00 C ATOM 194 CD1 LEU A 15 -11.235 2.737 -5.283 1.00 0.00 C ATOM 195 CD2 LEU A 15 -11.355 5.080 -6.151 1.00 0.00 C ATOM 0 H LEU A 15 -7.055 3.943 -5.832 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.835 6.274 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.905 3.471 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.979 4.772 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.831 3.667 -6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.936 2.445 -6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.568 1.903 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.787 3.006 -4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.039 4.736 -6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.926 5.398 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.771 5.920 -6.528 1.00 0.00 H new ATOM 207 N PHE A 16 -6.238 5.720 -3.887 1.00 0.00 N ATOM 208 CA PHE A 16 -5.405 5.781 -2.692 1.00 0.00 C ATOM 209 C PHE A 16 -4.958 7.207 -2.414 1.00 0.00 C ATOM 210 O PHE A 16 -4.948 7.616 -1.249 1.00 0.00 O ATOM 211 CB PHE A 16 -4.201 4.837 -2.846 1.00 0.00 C ATOM 212 CG PHE A 16 -4.589 3.378 -2.792 1.00 0.00 C ATOM 213 CD1 PHE A 16 -5.279 2.788 -3.867 1.00 0.00 C ATOM 214 CD2 PHE A 16 -4.338 2.633 -1.627 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.768 1.481 -3.744 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.764 1.298 -1.534 1.00 0.00 C ATOM 217 CZ PHE A 16 -5.484 0.734 -2.595 1.00 0.00 C ATOM 0 H PHE A 16 -5.707 5.571 -4.745 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.993 5.453 -1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.704 5.041 -3.795 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.479 5.045 -2.057 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.431 3.340 -4.783 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.815 3.089 -0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -6.364 1.050 -4.535 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.539 0.713 -0.655 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.824 -0.289 -2.526 1.00 0.00 H new ATOM 227 N ALA A 17 -4.590 7.946 -3.461 1.00 0.00 N ATOM 228 CA ALA A 17 -4.209 9.345 -3.382 1.00 0.00 C ATOM 229 C ALA A 17 -5.447 10.204 -3.129 1.00 0.00 C ATOM 230 O ALA A 17 -6.062 10.745 -4.051 1.00 0.00 O ATOM 231 CB ALA A 17 -3.472 9.748 -4.660 1.00 0.00 C ATOM 0 H ALA A 17 -4.550 7.573 -4.409 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.528 9.504 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.187 10.798 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.578 9.135 -4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.126 9.599 -5.519 1.00 0.00 H new ATOM 237 N GLY A 18 -5.815 10.330 -1.862 1.00 0.00 N ATOM 238 CA GLY A 18 -6.774 11.314 -1.397 1.00 0.00 C ATOM 239 C GLY A 18 -6.831 11.329 0.121 1.00 0.00 C ATOM 240 O GLY A 18 -6.910 12.413 0.703 1.00 0.00 O ATOM 0 H GLY A 18 -5.447 9.739 -1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.498 12.302 -1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.761 11.088 -1.801 1.00 0.00 H new ATOM 244 N ASN A 19 -6.809 10.148 0.756 1.00 0.00 N ATOM 245 CA ASN A 19 -7.094 10.034 2.186 1.00 0.00 C ATOM 246 C ASN A 19 -5.844 10.234 3.047 1.00 0.00 C ATOM 247 O ASN A 19 -5.106 9.294 3.358 1.00 0.00 O ATOM 248 CB ASN A 19 -7.821 8.724 2.484 1.00 0.00 C ATOM 249 CG ASN A 19 -8.614 8.841 3.779 1.00 0.00 C ATOM 250 OD1 ASN A 19 -9.508 9.675 3.890 1.00 0.00 O ATOM 251 ND2 ASN A 19 -8.342 8.014 4.767 1.00 0.00 N ATOM 0 H ASN A 19 -6.597 9.261 0.299 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.765 10.847 2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.491 8.477 1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.100 7.910 2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.876 8.063 5.635 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.597 7.325 4.665 1.00 0.00 H new ATOM 258 N THR A 20 -5.604 11.478 3.443 1.00 0.00 N ATOM 259 CA THR A 20 -4.414 12.006 4.120 1.00 0.00 C ATOM 260 C THR A 20 -4.254 11.550 5.590 1.00 0.00 C ATOM 261 O THR A 20 -3.818 12.326 6.438 1.00 0.00 O ATOM 262 CB THR A 20 -4.473 13.544 3.996 1.00 0.00 C ATOM 263 OG1 THR A 20 -5.765 14.017 4.344 1.00 0.00 O ATOM 264 CG2 THR A 20 -4.179 14.008 2.565 1.00 0.00 C ATOM 0 H THR A 20 -6.295 12.212 3.287 1.00 0.00 H new ATOM 0 HA THR A 20 -3.527 11.600 3.634 1.00 0.00 H new ATOM 0 HB THR A 20 -3.717 13.944 4.672 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.789 14.993 4.263 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.230 15.096 2.518 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.182 13.678 2.273 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.916 13.580 1.885 1.00 0.00 H new ATOM 272 N VAL A 21 -4.671 10.329 5.942 1.00 0.00 N ATOM 273 CA VAL A 21 -4.572 9.789 7.303 1.00 0.00 C ATOM 274 C VAL A 21 -4.359 8.263 7.313 1.00 0.00 C ATOM 275 O VAL A 21 -4.321 7.653 8.384 1.00 0.00 O ATOM 276 CB VAL A 21 -5.802 10.262 8.102 1.00 0.00 C ATOM 277 CG1 VAL A 21 -7.071 9.500 7.710 1.00 0.00 C ATOM 278 CG2 VAL A 21 -5.587 10.258 9.621 1.00 0.00 C ATOM 0 H VAL A 21 -5.093 9.678 5.280 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.680 10.176 7.796 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.944 11.306 7.823 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.912 9.867 8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.275 9.654 6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.930 8.436 7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.494 10.602 10.118 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.353 9.246 9.953 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.761 10.922 9.873 1.00 0.00 H new ATOM 288 N ILE A 22 -4.261 7.629 6.139 1.00 0.00 N ATOM 289 CA ILE A 22 -4.142 6.182 6.005 1.00 0.00 C ATOM 290 C ILE A 22 -2.766 5.691 6.448 1.00 0.00 C ATOM 291 O ILE A 22 -1.868 5.465 5.645 1.00 0.00 O ATOM 292 CB ILE A 22 -4.514 5.746 4.583 1.00 0.00 C ATOM 293 CG1 ILE A 22 -4.532 4.213 4.532 1.00 0.00 C ATOM 294 CG2 ILE A 22 -3.671 6.374 3.455 1.00 0.00 C ATOM 295 CD1 ILE A 22 -5.279 3.686 3.319 1.00 0.00 C ATOM 0 H ILE A 22 -4.263 8.119 5.244 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.854 5.705 6.678 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.509 6.140 4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.508 3.840 4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.997 3.827 5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.016 5.999 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.778 7.458 3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.623 6.109 3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.264 2.596 3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.311 4.035 3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.799 4.048 2.410 1.00 0.00 H new ATOM 307 N ARG A 23 -2.607 5.486 7.748 1.00 0.00 N ATOM 308 CA ARG A 23 -1.317 5.129 8.343 1.00 0.00 C ATOM 309 C ARG A 23 -0.998 3.644 8.159 1.00 0.00 C ATOM 310 O ARG A 23 0.014 3.188 8.691 1.00 0.00 O ATOM 311 CB ARG A 23 -1.261 5.587 9.810 1.00 0.00 C ATOM 312 CG ARG A 23 -1.099 7.119 9.914 1.00 0.00 C ATOM 313 CD ARG A 23 -1.085 7.623 11.363 1.00 0.00 C ATOM 314 NE ARG A 23 -2.335 7.252 12.050 1.00 0.00 N ATOM 315 CZ ARG A 23 -2.446 6.766 13.290 1.00 0.00 C ATOM 316 NH1 ARG A 23 -1.474 6.927 14.179 1.00 0.00 N ATOM 317 NH2 ARG A 23 -3.558 6.122 13.619 1.00 0.00 N ATOM 0 H ARG A 23 -3.367 5.561 8.425 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.528 5.662 7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.172 5.280 10.324 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.429 5.096 10.315 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.172 7.415 9.423 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.914 7.602 9.375 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.232 7.200 11.893 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.963 8.706 11.377 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.202 7.379 11.527 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.624 7.429 13.920 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.577 6.549 15.121 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.303 6.007 12.932 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.668 5.741 14.559 1.00 0.00 H new ATOM 331 N GLU A 24 -1.831 2.890 7.440 1.00 0.00 N ATOM 332 CA GLU A 24 -1.685 1.457 7.219 1.00 0.00 C ATOM 333 C GLU A 24 -2.360 1.102 5.901 1.00 0.00 C ATOM 334 O GLU A 24 -3.482 1.544 5.649 1.00 0.00 O ATOM 335 CB GLU A 24 -2.416 0.693 8.332 1.00 0.00 C ATOM 336 CG GLU A 24 -1.524 0.181 9.459 1.00 0.00 C ATOM 337 CD GLU A 24 -2.358 -0.065 10.718 1.00 0.00 C ATOM 338 OE1 GLU A 24 -3.272 -0.925 10.686 1.00 0.00 O ATOM 339 OE2 GLU A 24 -2.145 0.667 11.709 1.00 0.00 O ATOM 0 H GLU A 24 -2.655 3.278 6.980 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.627 1.195 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.177 1.346 8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.937 -0.155 7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.032 -0.742 9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.738 0.906 9.670 1.00 0.00 H new ATOM 346 N ILE A 25 -1.728 0.242 5.109 1.00 0.00 N ATOM 347 CA ILE A 25 -2.314 -0.412 3.947 1.00 0.00 C ATOM 348 C ILE A 25 -1.894 -1.873 4.070 1.00 0.00 C ATOM 349 O ILE A 25 -0.699 -2.148 4.204 1.00 0.00 O ATOM 350 CB ILE A 25 -1.809 0.246 2.638 1.00 0.00 C ATOM 351 CG1 ILE A 25 -2.209 1.735 2.584 1.00 0.00 C ATOM 352 CG2 ILE A 25 -2.346 -0.504 1.404 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.754 2.489 1.334 1.00 0.00 C ATOM 0 H ILE A 25 -0.757 -0.028 5.266 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.400 -0.321 3.910 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.721 0.183 2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.294 1.805 2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.798 2.237 3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.978 -0.023 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.005 -1.539 1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.436 -0.481 1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.085 3.526 1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.667 2.459 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.186 2.021 0.449 1.00 0.00 H new ATOM 365 N THR A 26 -2.841 -2.805 4.037 1.00 0.00 N ATOM 366 CA THR A 26 -2.575 -4.226 3.911 1.00 0.00 C ATOM 367 C THR A 26 -2.862 -4.635 2.456 1.00 0.00 C ATOM 368 O THR A 26 -3.980 -4.462 1.963 1.00 0.00 O ATOM 369 CB THR A 26 -3.444 -4.986 4.919 1.00 0.00 C ATOM 370 OG1 THR A 26 -3.164 -4.574 6.245 1.00 0.00 O ATOM 371 CG2 THR A 26 -3.150 -6.482 4.855 1.00 0.00 C ATOM 0 H THR A 26 -3.835 -2.584 4.099 1.00 0.00 H new ATOM 0 HA THR A 26 -1.536 -4.467 4.134 1.00 0.00 H new ATOM 0 HB THR A 26 -4.482 -4.776 4.663 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.732 -5.072 6.869 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.775 -7.007 5.577 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.364 -6.852 3.852 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.100 -6.657 5.090 1.00 0.00 H new ATOM 379 N VAL A 27 -1.871 -5.194 1.758 1.00 0.00 N ATOM 380 CA VAL A 27 -1.972 -5.639 0.371 1.00 0.00 C ATOM 381 C VAL A 27 -1.874 -7.164 0.357 1.00 0.00 C ATOM 382 O VAL A 27 -0.832 -7.745 0.681 1.00 0.00 O ATOM 383 CB VAL A 27 -0.891 -4.991 -0.522 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.280 -5.006 -2.007 1.00 0.00 C ATOM 385 CG2 VAL A 27 -0.607 -3.531 -0.164 1.00 0.00 C ATOM 0 H VAL A 27 -0.946 -5.354 2.158 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.929 -5.325 -0.046 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.004 -5.598 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.489 -4.540 -2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.418 -6.036 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.209 -4.453 -2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.161 -3.136 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.519 -2.945 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.260 -3.470 0.868 1.00 0.00 H new ATOM 395 N GLN A 28 -2.967 -7.822 0.002 1.00 0.00 N ATOM 396 CA GLN A 28 -2.979 -9.241 -0.308 1.00 0.00 C ATOM 397 C GLN A 28 -2.144 -9.524 -1.570 1.00 0.00 C ATOM 398 O GLN A 28 -1.796 -8.589 -2.298 1.00 0.00 O ATOM 399 CB GLN A 28 -4.449 -9.671 -0.423 1.00 0.00 C ATOM 400 CG GLN A 28 -5.110 -9.659 0.963 1.00 0.00 C ATOM 401 CD GLN A 28 -6.625 -9.719 0.861 1.00 0.00 C ATOM 402 OE1 GLN A 28 -7.187 -10.687 0.357 1.00 0.00 O ATOM 403 NE2 GLN A 28 -7.325 -8.693 1.303 1.00 0.00 N ATOM 0 H GLN A 28 -3.882 -7.378 -0.080 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.510 -9.833 0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.982 -8.998 -1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.512 -10.669 -0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.750 -10.507 1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.816 -8.756 1.499 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.849 -7.893 1.720 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.342 -8.699 1.228 1.00 0.00 H new ATOM 412 N PRO A 29 -1.769 -10.787 -1.828 1.00 0.00 N ATOM 413 CA PRO A 29 -1.051 -11.151 -3.041 1.00 0.00 C ATOM 414 C PRO A 29 -1.958 -11.020 -4.263 1.00 0.00 C ATOM 415 O PRO A 29 -3.179 -11.150 -4.155 1.00 0.00 O ATOM 416 CB PRO A 29 -0.574 -12.591 -2.823 1.00 0.00 C ATOM 417 CG PRO A 29 -1.532 -13.144 -1.771 1.00 0.00 C ATOM 418 CD PRO A 29 -1.899 -11.927 -0.937 1.00 0.00 C ATOM 0 HA PRO A 29 -0.204 -10.492 -3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.618 -13.170 -3.746 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.459 -12.621 -2.477 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.412 -13.595 -2.229 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.058 -13.916 -1.165 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.915 -12.009 -0.551 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.238 -11.828 -0.076 1.00 0.00 H new ATOM 426 N ASN A 30 -1.336 -10.813 -5.426 1.00 0.00 N ATOM 427 CA ASN A 30 -1.940 -10.829 -6.756 1.00 0.00 C ATOM 428 C ASN A 30 -3.273 -10.064 -6.823 1.00 0.00 C ATOM 429 O ASN A 30 -4.284 -10.582 -7.307 1.00 0.00 O ATOM 430 CB ASN A 30 -2.037 -12.270 -7.275 1.00 0.00 C ATOM 431 CG ASN A 30 -0.680 -12.937 -7.458 1.00 0.00 C ATOM 432 OD1 ASN A 30 0.163 -12.465 -8.222 1.00 0.00 O ATOM 433 ND2 ASN A 30 -0.452 -14.066 -6.809 1.00 0.00 N ATOM 0 H ASN A 30 -0.336 -10.618 -5.464 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.282 -10.280 -7.430 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.633 -12.860 -6.579 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.566 -12.271 -8.228 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.432 -14.559 -6.938 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.160 -14.444 -6.180 1.00 0.00 H new ATOM 440 N ILE A 31 -3.262 -8.814 -6.350 1.00 0.00 N ATOM 441 CA ILE A 31 -4.375 -7.864 -6.397 1.00 0.00 C ATOM 442 C ILE A 31 -3.808 -6.496 -6.804 1.00 0.00 C ATOM 443 O ILE A 31 -3.449 -5.630 -6.006 1.00 0.00 O ATOM 444 CB ILE A 31 -5.208 -7.899 -5.115 1.00 0.00 C ATOM 445 CG1 ILE A 31 -6.365 -6.889 -5.221 1.00 0.00 C ATOM 446 CG2 ILE A 31 -4.342 -7.695 -3.879 1.00 0.00 C ATOM 447 CD1 ILE A 31 -7.511 -7.311 -4.313 1.00 0.00 C ATOM 0 H ILE A 31 -2.435 -8.419 -5.902 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.108 -8.138 -7.156 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.649 -8.889 -4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.017 -5.894 -4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.711 -6.828 -6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.968 -7.726 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.593 -8.485 -3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.844 -6.727 -3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.325 -6.590 -4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.868 -8.297 -4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.162 -7.349 -3.281 1.00 0.00 H new ATOM 459 N GLY A 32 -3.683 -6.357 -8.106 1.00 0.00 N ATOM 460 CA GLY A 32 -3.179 -5.254 -8.906 1.00 0.00 C ATOM 461 C GLY A 32 -1.686 -5.011 -8.713 1.00 0.00 C ATOM 462 O GLY A 32 -1.135 -5.196 -7.620 1.00 0.00 O ATOM 0 H GLY A 32 -3.973 -7.122 -8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.375 -5.457 -9.959 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.725 -4.347 -8.649 1.00 0.00 H new ATOM 466 N LEU A 33 -1.021 -4.521 -9.762 1.00 0.00 N ATOM 467 CA LEU A 33 0.358 -4.060 -9.654 1.00 0.00 C ATOM 468 C LEU A 33 0.438 -2.830 -8.721 1.00 0.00 C ATOM 469 O LEU A 33 -0.541 -2.105 -8.536 1.00 0.00 O ATOM 470 CB LEU A 33 1.056 -4.027 -11.046 1.00 0.00 C ATOM 471 CG LEU A 33 2.016 -2.852 -11.268 1.00 0.00 C ATOM 472 CD1 LEU A 33 2.894 -2.908 -12.503 1.00 0.00 C ATOM 473 CD2 LEU A 33 1.131 -1.640 -11.291 1.00 0.00 C ATOM 0 H LEU A 33 -1.420 -4.435 -10.697 1.00 0.00 H new ATOM 0 HA LEU A 33 0.995 -4.775 -9.134 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.609 -4.957 -11.179 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.288 -3.999 -11.819 1.00 0.00 H new ATOM 0 HG LEU A 33 2.758 -2.857 -10.470 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.524 -2.020 -12.542 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.523 -3.797 -12.462 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.267 -2.947 -13.394 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.739 -0.749 -11.446 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.409 -1.732 -12.102 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.602 -1.558 -10.342 1.00 0.00 H new ATOM 485 N LEU A 34 1.603 -2.594 -8.118 1.00 0.00 N ATOM 486 CA LEU A 34 1.972 -1.385 -7.395 1.00 0.00 C ATOM 487 C LEU A 34 2.866 -0.608 -8.358 1.00 0.00 C ATOM 488 O LEU A 34 3.816 -1.200 -8.853 1.00 0.00 O ATOM 489 CB LEU A 34 2.769 -1.766 -6.136 1.00 0.00 C ATOM 490 CG LEU A 34 1.964 -2.577 -5.107 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.833 -3.630 -4.419 1.00 0.00 C ATOM 492 CD2 LEU A 34 1.306 -1.670 -4.067 1.00 0.00 C ATOM 0 H LEU A 34 2.355 -3.283 -8.123 1.00 0.00 H new ATOM 0 HA LEU A 34 1.105 -0.805 -7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.644 -2.343 -6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.134 -0.856 -5.660 1.00 0.00 H new ATOM 0 HG LEU A 34 1.176 -3.092 -5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.231 -4.184 -3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.230 -4.318 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.658 -3.140 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.746 -2.278 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.074 -1.107 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.628 -0.977 -4.565 1.00 0.00 H new ATOM 504 N TYR A 35 2.539 0.633 -8.699 1.00 0.00 N ATOM 505 CA TYR A 35 3.247 1.442 -9.687 1.00 0.00 C ATOM 506 C TYR A 35 3.748 2.761 -9.074 1.00 0.00 C ATOM 507 O TYR A 35 3.488 3.039 -7.901 1.00 0.00 O ATOM 508 CB TYR A 35 2.323 1.643 -10.896 1.00 0.00 C ATOM 509 CG TYR A 35 0.968 2.298 -10.626 1.00 0.00 C ATOM 510 CD1 TYR A 35 0.890 3.684 -10.414 1.00 0.00 C ATOM 511 CD2 TYR A 35 -0.218 1.531 -10.557 1.00 0.00 C ATOM 512 CE1 TYR A 35 -0.340 4.300 -10.120 1.00 0.00 C ATOM 513 CE2 TYR A 35 -1.455 2.142 -10.278 1.00 0.00 C ATOM 514 CZ TYR A 35 -1.520 3.536 -10.063 1.00 0.00 C ATOM 515 OH TYR A 35 -2.694 4.144 -9.747 1.00 0.00 O ATOM 0 H TYR A 35 1.747 1.121 -8.282 1.00 0.00 H new ATOM 0 HA TYR A 35 4.147 0.929 -10.027 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.853 2.249 -11.632 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.145 0.670 -11.353 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.785 4.284 -10.477 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.174 0.464 -10.720 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.379 5.364 -9.937 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.354 1.545 -10.228 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.095 3.698 -8.972 1.00 0.00 H new ATOM 525 N ASP A 36 4.495 3.556 -9.851 1.00 0.00 N ATOM 526 CA ASP A 36 5.072 4.834 -9.422 1.00 0.00 C ATOM 527 C ASP A 36 3.987 5.857 -9.108 1.00 0.00 C ATOM 528 O ASP A 36 3.115 6.138 -9.931 1.00 0.00 O ATOM 529 CB ASP A 36 6.042 5.419 -10.461 1.00 0.00 C ATOM 530 CG ASP A 36 5.375 5.716 -11.805 1.00 0.00 C ATOM 531 OD1 ASP A 36 5.236 4.749 -12.582 1.00 0.00 O ATOM 532 OD2 ASP A 36 5.042 6.882 -12.122 1.00 0.00 O ATOM 0 H ASP A 36 4.719 3.322 -10.818 1.00 0.00 H new ATOM 0 HA ASP A 36 5.637 4.619 -8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.476 6.338 -10.067 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.863 4.720 -10.617 1.00 0.00 H new ATOM 537 N GLY A 37 4.047 6.431 -7.908 1.00 0.00 N ATOM 538 CA GLY A 37 3.096 7.438 -7.470 1.00 0.00 C ATOM 539 C GLY A 37 1.677 6.870 -7.437 1.00 0.00 C ATOM 540 O GLY A 37 0.746 7.492 -7.953 1.00 0.00 O ATOM 0 H GLY A 37 4.760 6.207 -7.214 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.371 7.797 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.133 8.296 -8.142 1.00 0.00 H new ATOM 544 N MET A 38 1.507 5.678 -6.858 1.00 0.00 N ATOM 545 CA MET A 38 0.217 5.114 -6.476 1.00 0.00 C ATOM 546 C MET A 38 -0.374 5.868 -5.280 1.00 0.00 C ATOM 547 O MET A 38 -1.596 5.985 -5.175 1.00 0.00 O ATOM 548 CB MET A 38 0.389 3.634 -6.074 1.00 0.00 C ATOM 549 CG MET A 38 -0.404 2.692 -6.982 1.00 0.00 C ATOM 550 SD MET A 38 -0.759 1.070 -6.256 1.00 0.00 S ATOM 551 CE MET A 38 -2.144 1.532 -5.178 1.00 0.00 C ATOM 0 H MET A 38 2.290 5.063 -6.637 1.00 0.00 H new ATOM 0 HA MET A 38 -0.453 5.202 -7.331 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.446 3.369 -6.113 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.065 3.500 -5.042 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.346 3.171 -7.247 1.00 0.00 H new ATOM 0 HG3 MET A 38 0.152 2.547 -7.908 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.096 0.953 -4.256 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.083 2.595 -4.943 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.086 1.327 -5.687 1.00 0.00 H new ATOM 561 N PHE A 39 0.489 6.335 -4.372 1.00 0.00 N ATOM 562 CA PHE A 39 0.124 6.853 -3.053 1.00 0.00 C ATOM 563 C PHE A 39 0.452 8.348 -2.949 1.00 0.00 C ATOM 564 O PHE A 39 0.823 8.838 -1.884 1.00 0.00 O ATOM 565 CB PHE A 39 0.854 6.030 -1.975 1.00 0.00 C ATOM 566 CG PHE A 39 0.774 4.522 -2.149 1.00 0.00 C ATOM 567 CD1 PHE A 39 -0.450 3.858 -1.956 1.00 0.00 C ATOM 568 CD2 PHE A 39 1.913 3.781 -2.527 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.546 2.472 -2.172 1.00 0.00 C ATOM 570 CE2 PHE A 39 1.814 2.402 -2.766 1.00 0.00 C ATOM 571 CZ PHE A 39 0.583 1.746 -2.595 1.00 0.00 C ATOM 0 H PHE A 39 1.494 6.363 -4.543 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.951 6.754 -2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.904 6.324 -1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.441 6.290 -1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.320 4.415 -1.641 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.866 4.278 -2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.486 1.965 -2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.684 1.845 -3.081 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.503 0.686 -2.788 1.00 0.00 H new ATOM 581 N SER A 40 0.399 9.059 -4.077 1.00 0.00 N ATOM 582 CA SER A 40 0.893 10.416 -4.201 1.00 0.00 C ATOM 583 C SER A 40 0.128 11.355 -3.260 1.00 0.00 C ATOM 584 O SER A 40 -1.052 11.648 -3.488 1.00 0.00 O ATOM 585 CB SER A 40 0.769 10.834 -5.667 1.00 0.00 C ATOM 586 OG SER A 40 1.493 12.019 -5.910 1.00 0.00 O ATOM 0 H SER A 40 0.002 8.693 -4.942 1.00 0.00 H new ATOM 0 HA SER A 40 1.941 10.474 -3.906 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.141 10.036 -6.310 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.280 10.985 -5.920 1.00 0.00 H new ATOM 0 HG SER A 40 1.403 12.270 -6.853 1.00 0.00 H new ATOM 592 N GLY A 41 0.798 11.833 -2.212 1.00 0.00 N ATOM 593 CA GLY A 41 0.219 12.756 -1.249 1.00 0.00 C ATOM 594 C GLY A 41 -0.358 12.066 -0.018 1.00 0.00 C ATOM 595 O GLY A 41 -1.080 12.712 0.746 1.00 0.00 O ATOM 0 H GLY A 41 1.767 11.585 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.983 13.466 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.568 13.331 -1.736 1.00 0.00 H new ATOM 599 N CYS A 42 -0.070 10.780 0.209 1.00 0.00 N ATOM 600 CA CYS A 42 -0.391 10.117 1.468 1.00 0.00 C ATOM 601 C CYS A 42 0.645 10.512 2.533 1.00 0.00 C ATOM 602 O CYS A 42 1.516 9.728 2.924 1.00 0.00 O ATOM 603 CB CYS A 42 -0.500 8.604 1.262 1.00 0.00 C ATOM 604 SG CYS A 42 -1.810 8.239 0.058 1.00 0.00 S ATOM 0 H CYS A 42 0.389 10.176 -0.473 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.366 10.445 1.829 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.452 8.206 0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.718 8.114 2.211 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.896 6.953 -0.114 1.00 0.00 H new ATOM 610 N THR A 43 0.537 11.747 3.014 1.00 0.00 N ATOM 611 CA THR A 43 1.400 12.411 3.989 1.00 0.00 C ATOM 612 C THR A 43 1.304 11.812 5.400 1.00 0.00 C ATOM 613 O THR A 43 2.020 12.228 6.315 1.00 0.00 O ATOM 614 CB THR A 43 1.025 13.905 3.989 1.00 0.00 C ATOM 615 OG1 THR A 43 -0.386 14.060 3.994 1.00 0.00 O ATOM 616 CG2 THR A 43 1.590 14.597 2.747 1.00 0.00 C ATOM 0 H THR A 43 -0.218 12.360 2.707 1.00 0.00 H new ATOM 0 HA THR A 43 2.440 12.265 3.697 1.00 0.00 H new ATOM 0 HB THR A 43 1.448 14.358 4.886 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.610 15.014 3.996 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.316 15.652 2.762 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.676 14.504 2.741 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.181 14.129 1.852 1.00 0.00 H new ATOM 624 N ALA A 44 0.429 10.829 5.603 1.00 0.00 N ATOM 625 CA ALA A 44 0.275 10.082 6.833 1.00 0.00 C ATOM 626 C ALA A 44 0.099 8.611 6.469 1.00 0.00 C ATOM 627 O ALA A 44 -0.900 7.999 6.842 1.00 0.00 O ATOM 628 CB ALA A 44 -0.921 10.654 7.598 1.00 0.00 C ATOM 0 H ALA A 44 -0.218 10.524 4.876 1.00 0.00 H new ATOM 0 HA ALA A 44 1.147 10.164 7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.054 10.104 8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.741 11.706 7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.821 10.560 6.990 1.00 0.00 H new ATOM 634 N LEU A 45 1.023 8.059 5.681 1.00 0.00 N ATOM 635 CA LEU A 45 1.090 6.648 5.308 1.00 0.00 C ATOM 636 C LEU A 45 2.500 6.162 5.577 1.00 0.00 C ATOM 637 O LEU A 45 3.417 6.621 4.904 1.00 0.00 O ATOM 638 CB LEU A 45 0.707 6.488 3.832 1.00 0.00 C ATOM 639 CG LEU A 45 1.015 5.114 3.208 1.00 0.00 C ATOM 640 CD1 LEU A 45 0.193 3.983 3.827 1.00 0.00 C ATOM 641 CD2 LEU A 45 0.721 5.212 1.710 1.00 0.00 C ATOM 0 H LEU A 45 1.777 8.608 5.268 1.00 0.00 H new ATOM 0 HA LEU A 45 0.390 6.051 5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.361 6.682 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.227 7.253 3.256 1.00 0.00 H new ATOM 0 HG LEU A 45 2.060 4.871 3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.453 3.039 3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.408 3.919 4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.869 4.183 3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.929 4.253 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.327 5.471 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.352 5.982 1.265 1.00 0.00 H new ATOM 653 N GLU A 46 2.684 5.279 6.563 1.00 0.00 N ATOM 654 CA GLU A 46 4.013 4.859 7.025 1.00 0.00 C ATOM 655 C GLU A 46 4.114 3.345 7.264 1.00 0.00 C ATOM 656 O GLU A 46 5.128 2.860 7.771 1.00 0.00 O ATOM 657 CB GLU A 46 4.457 5.681 8.246 1.00 0.00 C ATOM 658 CG GLU A 46 4.431 7.184 7.915 1.00 0.00 C ATOM 659 CD GLU A 46 5.179 8.070 8.899 1.00 0.00 C ATOM 660 OE1 GLU A 46 4.931 7.940 10.114 1.00 0.00 O ATOM 661 OE2 GLU A 46 5.862 9.009 8.422 1.00 0.00 O ATOM 0 H GLU A 46 1.916 4.834 7.065 1.00 0.00 H new ATOM 0 HA GLU A 46 4.714 5.069 6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.799 5.476 9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.462 5.385 8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.856 7.330 6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.393 7.513 7.869 1.00 0.00 H new ATOM 668 N LYS A 47 3.101 2.563 6.871 1.00 0.00 N ATOM 669 CA LYS A 47 3.182 1.106 6.862 1.00 0.00 C ATOM 670 C LYS A 47 2.566 0.548 5.595 1.00 0.00 C ATOM 671 O LYS A 47 1.624 1.129 5.055 1.00 0.00 O ATOM 672 CB LYS A 47 2.461 0.496 8.071 1.00 0.00 C ATOM 673 CG LYS A 47 3.321 0.567 9.335 1.00 0.00 C ATOM 674 CD LYS A 47 2.853 -0.487 10.347 1.00 0.00 C ATOM 675 CE LYS A 47 3.871 -0.744 11.466 1.00 0.00 C ATOM 676 NZ LYS A 47 4.378 0.491 12.101 1.00 0.00 N ATOM 0 H LYS A 47 2.204 2.928 6.551 1.00 0.00 H new ATOM 0 HA LYS A 47 4.239 0.842 6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.522 1.023 8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.210 -0.543 7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.368 0.401 9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.253 1.562 9.776 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.911 -0.164 10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.655 -1.422 9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.409 -1.371 12.229 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.712 -1.305 11.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.981 0.242 12.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.934 1.034 11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.577 1.067 12.429 1.00 0.00 H new ATOM 690 N LEU A 48 3.051 -0.623 5.197 1.00 0.00 N ATOM 691 CA LEU A 48 2.585 -1.394 4.058 1.00 0.00 C ATOM 692 C LEU A 48 2.732 -2.866 4.421 1.00 0.00 C ATOM 693 O LEU A 48 3.815 -3.430 4.279 1.00 0.00 O ATOM 694 CB LEU A 48 3.376 -1.036 2.787 1.00 0.00 C ATOM 695 CG LEU A 48 2.847 -1.815 1.563 1.00 0.00 C ATOM 696 CD1 LEU A 48 1.527 -1.205 1.095 1.00 0.00 C ATOM 697 CD2 LEU A 48 3.816 -1.792 0.377 1.00 0.00 C ATOM 0 H LEU A 48 3.819 -1.081 5.688 1.00 0.00 H new ATOM 0 HA LEU A 48 1.542 -1.167 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.303 0.035 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.432 -1.262 2.937 1.00 0.00 H new ATOM 0 HG LEU A 48 2.722 -2.848 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.157 -1.757 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.795 -1.259 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.686 -0.163 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.389 -2.356 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.986 -0.761 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.763 -2.243 0.673 1.00 0.00 H new ATOM 709 N ILE A 49 1.671 -3.475 4.937 1.00 0.00 N ATOM 710 CA ILE A 49 1.652 -4.889 5.280 1.00 0.00 C ATOM 711 C ILE A 49 1.355 -5.658 3.994 1.00 0.00 C ATOM 712 O ILE A 49 0.542 -5.224 3.173 1.00 0.00 O ATOM 713 CB ILE A 49 0.644 -5.182 6.419 1.00 0.00 C ATOM 714 CG1 ILE A 49 0.898 -4.254 7.631 1.00 0.00 C ATOM 715 CG2 ILE A 49 0.779 -6.647 6.895 1.00 0.00 C ATOM 716 CD1 ILE A 49 -0.082 -3.083 7.731 1.00 0.00 C ATOM 0 H ILE A 49 0.792 -2.995 5.130 1.00 0.00 H new ATOM 0 HA ILE A 49 2.615 -5.212 5.676 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.357 -5.006 6.024 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.839 -4.843 8.546 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.913 -3.861 7.569 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.064 -6.837 7.695 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.578 -7.320 6.062 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.790 -6.818 7.264 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.161 -2.479 8.605 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.008 -2.469 6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.098 -3.466 7.826 1.00 0.00 H new ATOM 728 N LEU A 50 1.999 -6.805 3.808 1.00 0.00 N ATOM 729 CA LEU A 50 1.898 -7.645 2.624 1.00 0.00 C ATOM 730 C LEU A 50 1.573 -9.048 3.136 1.00 0.00 C ATOM 731 O LEU A 50 2.348 -9.575 3.927 1.00 0.00 O ATOM 732 CB LEU A 50 3.223 -7.592 1.831 1.00 0.00 C ATOM 733 CG LEU A 50 3.687 -6.178 1.407 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.061 -6.166 0.726 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.706 -5.526 0.436 1.00 0.00 C ATOM 0 H LEU A 50 2.632 -7.190 4.509 1.00 0.00 H new ATOM 0 HA LEU A 50 1.122 -7.312 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.007 -8.047 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.116 -8.204 0.936 1.00 0.00 H new ATOM 0 HG LEU A 50 3.741 -5.622 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.324 -5.143 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.810 -6.564 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.027 -6.782 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.069 -4.535 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.619 -6.140 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.729 -5.437 0.911 1.00 0.00 H new ATOM 747 N THR A 51 0.422 -9.624 2.776 1.00 0.00 N ATOM 748 CA THR A 51 -0.101 -10.839 3.421 1.00 0.00 C ATOM 749 C THR A 51 0.393 -12.153 2.786 1.00 0.00 C ATOM 750 O THR A 51 -0.011 -13.227 3.242 1.00 0.00 O ATOM 751 CB THR A 51 -1.649 -10.816 3.485 1.00 0.00 C ATOM 752 OG1 THR A 51 -2.240 -11.284 2.293 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.254 -9.434 3.748 1.00 0.00 C ATOM 0 H THR A 51 -0.175 -9.264 2.031 1.00 0.00 H new ATOM 0 HA THR A 51 0.303 -10.823 4.433 1.00 0.00 H new ATOM 0 HB THR A 51 -1.867 -11.472 4.328 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.102 -11.703 2.498 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.341 -9.512 3.777 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.892 -9.054 4.704 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.960 -8.751 2.951 1.00 0.00 H new ATOM 761 N GLY A 52 1.151 -12.098 1.685 1.00 0.00 N ATOM 762 CA GLY A 52 1.447 -13.262 0.856 1.00 0.00 C ATOM 763 C GLY A 52 2.794 -13.883 1.200 1.00 0.00 C ATOM 764 O GLY A 52 3.709 -13.190 1.644 1.00 0.00 O ATOM 0 H GLY A 52 1.577 -11.236 1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.662 -14.007 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.441 -12.970 -0.194 1.00 0.00 H new ATOM 768 N GLU A 53 2.938 -15.178 0.924 1.00 0.00 N ATOM 769 CA GLU A 53 4.093 -15.964 1.334 1.00 0.00 C ATOM 770 C GLU A 53 5.271 -15.869 0.351 1.00 0.00 C ATOM 771 O GLU A 53 6.300 -16.504 0.595 1.00 0.00 O ATOM 772 CB GLU A 53 3.693 -17.433 1.496 1.00 0.00 C ATOM 773 CG GLU A 53 2.794 -17.783 2.678 1.00 0.00 C ATOM 774 CD GLU A 53 2.004 -19.057 2.354 1.00 0.00 C ATOM 775 OE1 GLU A 53 2.619 -20.146 2.224 1.00 0.00 O ATOM 776 OE2 GLU A 53 0.769 -18.944 2.158 1.00 0.00 O ATOM 0 H GLU A 53 2.245 -15.715 0.402 1.00 0.00 H new ATOM 0 HA GLU A 53 4.429 -15.547 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.189 -17.749 0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.605 -18.025 1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.395 -17.932 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.110 -16.960 2.886 1.00 0.00 H new ATOM 783 N ASP A 54 5.151 -15.162 -0.782 1.00 0.00 N ATOM 784 CA ASP A 54 6.192 -15.035 -1.774 1.00 0.00 C ATOM 785 C ASP A 54 6.200 -13.645 -2.418 1.00 0.00 C ATOM 786 O ASP A 54 5.143 -13.018 -2.512 1.00 0.00 O ATOM 787 CB ASP A 54 5.996 -16.162 -2.778 1.00 0.00 C ATOM 788 CG ASP A 54 5.294 -15.875 -4.093 1.00 0.00 C ATOM 789 OD1 ASP A 54 5.850 -15.124 -4.922 1.00 0.00 O ATOM 790 OD2 ASP A 54 4.198 -16.465 -4.258 1.00 0.00 O ATOM 0 H ASP A 54 4.300 -14.655 -1.026 1.00 0.00 H new ATOM 0 HA ASP A 54 7.177 -15.127 -1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.981 -16.565 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.440 -16.954 -2.276 1.00 0.00 H new ATOM 795 N PRO A 55 7.380 -13.140 -2.818 1.00 0.00 N ATOM 796 CA PRO A 55 7.543 -11.771 -3.297 1.00 0.00 C ATOM 797 C PRO A 55 7.138 -11.576 -4.762 1.00 0.00 C ATOM 798 O PRO A 55 6.837 -10.452 -5.173 1.00 0.00 O ATOM 799 CB PRO A 55 9.037 -11.494 -3.115 1.00 0.00 C ATOM 800 CG PRO A 55 9.710 -12.858 -3.249 1.00 0.00 C ATOM 801 CD PRO A 55 8.670 -13.802 -2.666 1.00 0.00 C ATOM 0 HA PRO A 55 6.894 -11.090 -2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.404 -10.797 -3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.240 -11.047 -2.142 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.937 -13.097 -4.288 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.650 -12.902 -2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.679 -14.759 -3.188 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.879 -14.009 -1.616 1.00 0.00 H new ATOM 809 N SER A 56 7.162 -12.652 -5.547 1.00 0.00 N ATOM 810 CA SER A 56 6.810 -12.681 -6.966 1.00 0.00 C ATOM 811 C SER A 56 5.291 -12.567 -7.155 1.00 0.00 C ATOM 812 O SER A 56 4.831 -12.133 -8.213 1.00 0.00 O ATOM 813 CB SER A 56 7.369 -13.983 -7.561 1.00 0.00 C ATOM 814 OG SER A 56 7.396 -13.991 -8.973 1.00 0.00 O ATOM 0 H SER A 56 7.440 -13.568 -5.196 1.00 0.00 H new ATOM 0 HA SER A 56 7.246 -11.828 -7.487 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.380 -14.140 -7.185 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.766 -14.821 -7.212 1.00 0.00 H new ATOM 0 HG SER A 56 7.762 -14.843 -9.288 1.00 0.00 H new ATOM 820 N ALA A 57 4.515 -12.893 -6.118 1.00 0.00 N ATOM 821 CA ALA A 57 3.078 -12.680 -6.017 1.00 0.00 C ATOM 822 C ALA A 57 2.688 -11.183 -5.996 1.00 0.00 C ATOM 823 O ALA A 57 1.521 -10.869 -5.742 1.00 0.00 O ATOM 824 CB ALA A 57 2.586 -13.416 -4.756 1.00 0.00 C ATOM 0 H ALA A 57 4.898 -13.337 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 57 2.593 -13.081 -6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.510 -13.277 -4.650 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.807 -14.480 -4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.092 -13.013 -3.879 1.00 0.00 H new ATOM 830 N TYR A 58 3.633 -10.254 -6.195 1.00 0.00 N ATOM 831 CA TYR A 58 3.458 -8.809 -6.092 1.00 0.00 C ATOM 832 C TYR A 58 4.259 -8.079 -7.179 1.00 0.00 C ATOM 833 O TYR A 58 4.992 -8.694 -7.950 1.00 0.00 O ATOM 834 CB TYR A 58 3.884 -8.343 -4.693 1.00 0.00 C ATOM 835 CG TYR A 58 2.961 -8.775 -3.576 1.00 0.00 C ATOM 836 CD1 TYR A 58 3.052 -10.072 -3.035 1.00 0.00 C ATOM 837 CD2 TYR A 58 2.066 -7.844 -3.020 1.00 0.00 C ATOM 838 CE1 TYR A 58 2.291 -10.421 -1.907 1.00 0.00 C ATOM 839 CE2 TYR A 58 1.295 -8.192 -1.902 1.00 0.00 C ATOM 840 CZ TYR A 58 1.422 -9.473 -1.326 1.00 0.00 C ATOM 841 OH TYR A 58 0.730 -9.778 -0.199 1.00 0.00 O ATOM 0 H TYR A 58 4.588 -10.510 -6.445 1.00 0.00 H new ATOM 0 HA TYR A 58 2.406 -8.567 -6.244 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.885 -8.723 -4.487 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.950 -7.255 -4.692 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.708 -10.800 -3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.972 -6.860 -3.455 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.371 -11.412 -1.486 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.603 -7.478 -1.481 1.00 0.00 H new ATOM 0 HH TYR A 58 0.309 -8.967 0.156 1.00 0.00 H new ATOM 851 N SER A 59 4.104 -6.757 -7.248 1.00 0.00 N ATOM 852 CA SER A 59 4.646 -5.827 -8.243 1.00 0.00 C ATOM 853 C SER A 59 5.213 -4.597 -7.508 1.00 0.00 C ATOM 854 O SER A 59 5.262 -4.618 -6.275 1.00 0.00 O ATOM 855 CB SER A 59 3.514 -5.442 -9.197 1.00 0.00 C ATOM 856 OG SER A 59 2.708 -6.540 -9.599 1.00 0.00 O ATOM 0 H SER A 59 3.548 -6.265 -6.549 1.00 0.00 H new ATOM 0 HA SER A 59 5.452 -6.278 -8.821 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.882 -4.696 -8.715 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.941 -4.973 -10.083 1.00 0.00 H new ATOM 0 HG SER A 59 2.869 -6.735 -10.546 1.00 0.00 H new ATOM 862 N ALA A 60 5.619 -3.532 -8.212 1.00 0.00 N ATOM 863 CA ALA A 60 6.261 -2.324 -7.646 1.00 0.00 C ATOM 864 C ALA A 60 6.680 -1.298 -8.712 1.00 0.00 C ATOM 865 O ALA A 60 6.956 -0.142 -8.384 1.00 0.00 O ATOM 866 CB ALA A 60 7.489 -2.689 -6.805 1.00 0.00 C ATOM 0 H ALA A 60 5.509 -3.480 -9.225 1.00 0.00 H new ATOM 0 HA ALA A 60 5.498 -1.863 -7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.938 -1.781 -6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.187 -3.339 -5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.216 -3.208 -7.429 1.00 0.00 H new ATOM 872 N GLY A 61 6.684 -1.711 -9.977 1.00 0.00 N ATOM 873 CA GLY A 61 6.970 -0.885 -11.133 1.00 0.00 C ATOM 874 C GLY A 61 8.423 -0.429 -11.105 1.00 0.00 C ATOM 875 O GLY A 61 9.332 -1.191 -11.440 1.00 0.00 O ATOM 0 H GLY A 61 6.477 -2.678 -10.229 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.774 -1.445 -12.047 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.309 -0.018 -11.143 1.00 0.00 H new ATOM 879 N ASP A 62 8.644 0.803 -10.672 1.00 0.00 N ATOM 880 CA ASP A 62 9.971 1.372 -10.444 1.00 0.00 C ATOM 881 C ASP A 62 9.996 2.237 -9.179 1.00 0.00 C ATOM 882 O ASP A 62 11.063 2.563 -8.657 1.00 0.00 O ATOM 883 CB ASP A 62 10.361 2.195 -11.676 1.00 0.00 C ATOM 884 CG ASP A 62 11.829 2.621 -11.641 1.00 0.00 C ATOM 885 OD1 ASP A 62 12.698 1.746 -11.869 1.00 0.00 O ATOM 886 OD2 ASP A 62 12.093 3.835 -11.480 1.00 0.00 O ATOM 0 H ASP A 62 7.888 1.455 -10.463 1.00 0.00 H new ATOM 0 HA ASP A 62 10.690 0.567 -10.292 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.175 1.610 -12.576 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.728 3.080 -11.735 1.00 0.00 H new ATOM 891 N GLY A 63 8.821 2.574 -8.637 1.00 0.00 N ATOM 892 CA GLY A 63 8.634 3.700 -7.736 1.00 0.00 C ATOM 893 C GLY A 63 7.553 3.412 -6.708 1.00 0.00 C ATOM 894 O GLY A 63 6.741 4.290 -6.429 1.00 0.00 O ATOM 0 H GLY A 63 7.961 2.057 -8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.572 3.921 -7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.366 4.587 -8.310 1.00 0.00 H new ATOM 898 N LEU A 64 7.544 2.201 -6.139 1.00 0.00 N ATOM 899 CA LEU A 64 6.499 1.695 -5.247 1.00 0.00 C ATOM 900 C LEU A 64 6.089 2.740 -4.214 1.00 0.00 C ATOM 901 O LEU A 64 4.909 3.070 -4.087 1.00 0.00 O ATOM 902 CB LEU A 64 7.022 0.424 -4.549 1.00 0.00 C ATOM 903 CG LEU A 64 6.286 0.003 -3.259 1.00 0.00 C ATOM 904 CD1 LEU A 64 4.820 -0.337 -3.516 1.00 0.00 C ATOM 905 CD2 LEU A 64 6.960 -1.234 -2.670 1.00 0.00 C ATOM 0 H LEU A 64 8.291 1.524 -6.294 1.00 0.00 H new ATOM 0 HA LEU A 64 5.612 1.462 -5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.970 -0.402 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.075 0.573 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 64 6.333 0.848 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.344 -0.627 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.311 0.535 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.757 -1.162 -4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.441 -1.532 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.921 -2.049 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.000 -1.005 -2.437 1.00 0.00 H new ATOM 917 N ARG A 65 7.065 3.241 -3.459 1.00 0.00 N ATOM 918 CA ARG A 65 6.827 4.162 -2.360 1.00 0.00 C ATOM 919 C ARG A 65 7.060 5.611 -2.771 1.00 0.00 C ATOM 920 O ARG A 65 7.105 6.472 -1.894 1.00 0.00 O ATOM 921 CB ARG A 65 7.613 3.730 -1.109 1.00 0.00 C ATOM 922 CG ARG A 65 9.114 3.438 -1.325 1.00 0.00 C ATOM 923 CD ARG A 65 10.059 4.107 -0.312 1.00 0.00 C ATOM 924 NE ARG A 65 9.968 5.572 -0.358 1.00 0.00 N ATOM 925 CZ ARG A 65 10.276 6.365 -1.387 1.00 0.00 C ATOM 926 NH1 ARG A 65 11.007 5.917 -2.403 1.00 0.00 N ATOM 927 NH2 ARG A 65 9.809 7.604 -1.391 1.00 0.00 N ATOM 0 H ARG A 65 8.050 3.014 -3.598 1.00 0.00 H new ATOM 0 HA ARG A 65 5.772 4.116 -2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.519 4.513 -0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.144 2.836 -0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.268 2.360 -1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.391 3.763 -2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.817 3.760 0.693 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.085 3.801 -0.517 1.00 0.00 H new ATOM 0 HE ARG A 65 9.633 6.034 0.488 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.342 4.954 -2.405 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.233 6.537 -3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.228 7.933 -0.619 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.030 8.230 -2.166 1.00 0.00 H new ATOM 941 N ASP A 66 7.191 5.909 -4.065 1.00 0.00 N ATOM 942 CA ASP A 66 7.322 7.284 -4.538 1.00 0.00 C ATOM 943 C ASP A 66 6.040 8.074 -4.232 1.00 0.00 C ATOM 944 O ASP A 66 4.976 7.482 -4.015 1.00 0.00 O ATOM 945 CB ASP A 66 7.671 7.309 -6.034 1.00 0.00 C ATOM 946 CG ASP A 66 8.325 8.616 -6.484 1.00 0.00 C ATOM 947 OD1 ASP A 66 8.561 9.519 -5.647 1.00 0.00 O ATOM 948 OD2 ASP A 66 8.695 8.715 -7.674 1.00 0.00 O ATOM 0 H ASP A 66 7.209 5.209 -4.807 1.00 0.00 H new ATOM 0 HA ASP A 66 8.142 7.768 -4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.343 6.480 -6.257 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.762 7.148 -6.614 1.00 0.00 H new ATOM 953 N GLY A 67 6.133 9.403 -4.181 1.00 0.00 N ATOM 954 CA GLY A 67 5.039 10.304 -3.830 1.00 0.00 C ATOM 955 C GLY A 67 4.595 10.232 -2.364 1.00 0.00 C ATOM 956 O GLY A 67 3.590 10.858 -2.016 1.00 0.00 O ATOM 0 H GLY A 67 7.001 9.896 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.343 11.327 -4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.183 10.079 -4.466 1.00 0.00 H new ATOM 960 N ALA A 68 5.313 9.476 -1.527 1.00 0.00 N ATOM 961 CA ALA A 68 5.186 9.398 -0.075 1.00 0.00 C ATOM 962 C ALA A 68 6.503 8.813 0.475 1.00 0.00 C ATOM 963 O ALA A 68 7.519 8.798 -0.232 1.00 0.00 O ATOM 964 CB ALA A 68 3.945 8.564 0.297 1.00 0.00 C ATOM 0 H ALA A 68 6.049 8.861 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 68 5.033 10.379 0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.855 8.509 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.053 9.034 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.047 7.558 -0.110 1.00 0.00 H new ATOM 970 N ASP A 69 6.539 8.336 1.723 1.00 0.00 N ATOM 971 CA ASP A 69 7.610 7.488 2.235 1.00 0.00 C ATOM 972 C ASP A 69 7.100 6.650 3.407 1.00 0.00 C ATOM 973 O ASP A 69 6.783 7.188 4.468 1.00 0.00 O ATOM 974 CB ASP A 69 8.833 8.293 2.679 1.00 0.00 C ATOM 975 CG ASP A 69 9.925 7.316 3.113 1.00 0.00 C ATOM 976 OD1 ASP A 69 10.449 6.609 2.222 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.217 7.216 4.326 1.00 0.00 O ATOM 0 H ASP A 69 5.813 8.533 2.412 1.00 0.00 H new ATOM 0 HA ASP A 69 7.921 6.840 1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.190 8.921 1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.571 8.958 3.502 1.00 0.00 H new ATOM 982 N PHE A 70 7.014 5.336 3.201 1.00 0.00 N ATOM 983 CA PHE A 70 6.580 4.363 4.208 1.00 0.00 C ATOM 984 C PHE A 70 7.583 3.219 4.399 1.00 0.00 C ATOM 985 O PHE A 70 8.567 3.107 3.661 1.00 0.00 O ATOM 986 CB PHE A 70 5.189 3.824 3.838 1.00 0.00 C ATOM 987 CG PHE A 70 5.083 3.166 2.479 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.491 1.831 2.287 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.544 3.897 1.403 1.00 0.00 C ATOM 990 CE1 PHE A 70 5.341 1.236 1.025 1.00 0.00 C ATOM 991 CE2 PHE A 70 4.366 3.282 0.157 1.00 0.00 C ATOM 992 CZ PHE A 70 4.730 1.939 -0.026 1.00 0.00 C ATOM 0 H PHE A 70 7.250 4.906 2.307 1.00 0.00 H new ATOM 0 HA PHE A 70 6.526 4.880 5.166 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.885 3.102 4.596 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.477 4.648 3.879 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.916 1.269 3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.268 4.932 1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.698 0.230 0.861 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.947 3.843 -0.665 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.541 1.449 -0.970 1.00 0.00 H new ATOM 1002 N LEU A 71 7.297 2.347 5.369 1.00 0.00 N ATOM 1003 CA LEU A 71 8.027 1.134 5.731 1.00 0.00 C ATOM 1004 C LEU A 71 7.165 -0.083 5.364 1.00 0.00 C ATOM 1005 O LEU A 71 5.944 0.040 5.251 1.00 0.00 O ATOM 1006 CB LEU A 71 8.287 1.218 7.247 1.00 0.00 C ATOM 1007 CG LEU A 71 9.275 0.210 7.854 1.00 0.00 C ATOM 1008 CD1 LEU A 71 10.682 0.363 7.269 1.00 0.00 C ATOM 1009 CD2 LEU A 71 9.356 0.472 9.361 1.00 0.00 C ATOM 0 H LEU A 71 6.483 2.484 5.968 1.00 0.00 H new ATOM 0 HA LEU A 71 8.975 1.036 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.650 2.221 7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.332 1.103 7.759 1.00 0.00 H new ATOM 0 HG LEU A 71 8.919 -0.795 7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.348 -0.369 7.726 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.648 0.200 6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.053 1.368 7.472 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.053 -0.232 9.816 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.704 1.490 9.535 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.369 0.345 9.806 1.00 0.00 H new ATOM 1021 N ILE A 72 7.775 -1.247 5.140 1.00 0.00 N ATOM 1022 CA ILE A 72 7.120 -2.432 4.581 1.00 0.00 C ATOM 1023 C ILE A 72 7.182 -3.549 5.624 1.00 0.00 C ATOM 1024 O ILE A 72 8.212 -3.738 6.271 1.00 0.00 O ATOM 1025 CB ILE A 72 7.772 -2.816 3.226 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.641 -1.639 2.229 1.00 0.00 C ATOM 1027 CG2 ILE A 72 7.124 -4.085 2.641 1.00 0.00 C ATOM 1028 CD1 ILE A 72 8.357 -1.833 0.891 1.00 0.00 C ATOM 0 H ILE A 72 8.763 -1.397 5.347 1.00 0.00 H new ATOM 0 HA ILE A 72 6.070 -2.237 4.361 1.00 0.00 H new ATOM 0 HB ILE A 72 8.828 -3.026 3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.583 -1.465 2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.030 -0.738 2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.599 -4.332 1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.253 -4.913 3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.061 -3.909 2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.204 -0.954 0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.424 -1.973 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.954 -2.711 0.387 1.00 0.00 H new ATOM 1040 N CYS A 73 6.088 -4.301 5.771 1.00 0.00 N ATOM 1041 CA CYS A 73 5.927 -5.382 6.732 1.00 0.00 C ATOM 1042 C CYS A 73 5.478 -6.627 5.961 1.00 0.00 C ATOM 1043 O CYS A 73 4.547 -6.546 5.158 1.00 0.00 O ATOM 1044 CB CYS A 73 4.897 -5.002 7.807 1.00 0.00 C ATOM 1045 SG CYS A 73 5.018 -3.262 8.332 1.00 0.00 S ATOM 0 H CYS A 73 5.257 -4.163 5.196 1.00 0.00 H new ATOM 0 HA CYS A 73 6.869 -5.578 7.245 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.894 -5.190 7.423 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.032 -5.647 8.675 1.00 0.00 H new ATOM 0 HG CYS A 73 4.117 -3.018 9.237 1.00 0.00 H new ATOM 1051 N VAL A 74 6.117 -7.775 6.168 1.00 0.00 N ATOM 1052 CA VAL A 74 5.809 -9.041 5.482 1.00 0.00 C ATOM 1053 C VAL A 74 5.712 -10.126 6.547 1.00 0.00 C ATOM 1054 O VAL A 74 6.248 -9.909 7.638 1.00 0.00 O ATOM 1055 CB VAL A 74 6.889 -9.361 4.423 1.00 0.00 C ATOM 1056 CG1 VAL A 74 6.934 -8.262 3.357 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.290 -9.607 5.002 1.00 0.00 C ATOM 0 H VAL A 74 6.885 -7.860 6.834 1.00 0.00 H new ATOM 0 HA VAL A 74 4.863 -8.974 4.944 1.00 0.00 H new ATOM 0 HB VAL A 74 6.588 -10.306 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.699 -8.502 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.964 -8.193 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.171 -7.308 3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.986 -9.824 4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.623 -8.718 5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.257 -10.453 5.688 1.00 0.00 H new ATOM 1067 N PRO A 75 5.072 -11.286 6.313 1.00 0.00 N ATOM 1068 CA PRO A 75 5.033 -12.278 7.363 1.00 0.00 C ATOM 1069 C PRO A 75 6.466 -12.782 7.563 1.00 0.00 C ATOM 1070 O PRO A 75 7.221 -12.937 6.597 1.00 0.00 O ATOM 1071 CB PRO A 75 4.098 -13.390 6.867 1.00 0.00 C ATOM 1072 CG PRO A 75 4.185 -13.271 5.345 1.00 0.00 C ATOM 1073 CD PRO A 75 4.405 -11.775 5.115 1.00 0.00 C ATOM 0 HA PRO A 75 4.667 -11.898 8.316 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.422 -14.372 7.213 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.078 -13.247 7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.006 -13.864 4.942 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.273 -13.621 4.862 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.015 -11.601 4.229 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.458 -11.260 4.956 1.00 0.00 H new ATOM 1081 N GLU A 76 6.826 -13.083 8.808 1.00 0.00 N ATOM 1082 CA GLU A 76 8.122 -13.663 9.156 1.00 0.00 C ATOM 1083 C GLU A 76 8.418 -14.918 8.323 1.00 0.00 C ATOM 1084 O GLU A 76 9.575 -15.211 8.016 1.00 0.00 O ATOM 1085 CB GLU A 76 8.172 -13.972 10.660 1.00 0.00 C ATOM 1086 CG GLU A 76 7.023 -14.887 11.095 1.00 0.00 C ATOM 1087 CD GLU A 76 7.135 -15.382 12.531 1.00 0.00 C ATOM 1088 OE1 GLU A 76 7.936 -16.321 12.768 1.00 0.00 O ATOM 1089 OE2 GLU A 76 6.404 -14.865 13.411 1.00 0.00 O ATOM 0 H GLU A 76 6.220 -12.930 9.614 1.00 0.00 H new ATOM 0 HA GLU A 76 8.898 -12.933 8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.124 -14.445 10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.127 -13.040 11.224 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.081 -14.351 10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.984 -15.747 10.427 1.00 0.00 H new ATOM 1096 N GLU A 77 7.377 -15.649 7.920 1.00 0.00 N ATOM 1097 CA GLU A 77 7.468 -16.864 7.146 1.00 0.00 C ATOM 1098 C GLU A 77 8.106 -16.632 5.774 1.00 0.00 C ATOM 1099 O GLU A 77 8.829 -17.500 5.268 1.00 0.00 O ATOM 1100 CB GLU A 77 6.047 -17.436 7.011 1.00 0.00 C ATOM 1101 CG GLU A 77 6.131 -18.929 6.716 1.00 0.00 C ATOM 1102 CD GLU A 77 4.780 -19.650 6.715 1.00 0.00 C ATOM 1103 OE1 GLU A 77 3.722 -19.015 6.504 1.00 0.00 O ATOM 1104 OE2 GLU A 77 4.797 -20.889 6.926 1.00 0.00 O ATOM 0 H GLU A 77 6.415 -15.391 8.138 1.00 0.00 H new ATOM 0 HA GLU A 77 8.119 -17.573 7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.485 -17.266 7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.511 -16.925 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.605 -19.069 5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.779 -19.398 7.457 1.00 0.00 H new ATOM 1111 N ALA A 78 7.878 -15.458 5.186 1.00 0.00 N ATOM 1112 CA ALA A 78 8.330 -15.102 3.849 1.00 0.00 C ATOM 1113 C ALA A 78 9.484 -14.090 3.872 1.00 0.00 C ATOM 1114 O ALA A 78 10.010 -13.726 2.822 1.00 0.00 O ATOM 1115 CB ALA A 78 7.145 -14.544 3.074 1.00 0.00 C ATOM 0 H ALA A 78 7.358 -14.709 5.643 1.00 0.00 H new ATOM 0 HA ALA A 78 8.717 -15.998 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.464 -14.271 2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.361 -15.299 3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.760 -13.661 3.584 1.00 0.00 H new ATOM 1121 N LEU A 79 9.866 -13.615 5.058 1.00 0.00 N ATOM 1122 CA LEU A 79 10.802 -12.518 5.258 1.00 0.00 C ATOM 1123 C LEU A 79 12.134 -12.761 4.549 1.00 0.00 C ATOM 1124 O LEU A 79 12.650 -11.866 3.873 1.00 0.00 O ATOM 1125 CB LEU A 79 10.981 -12.339 6.770 1.00 0.00 C ATOM 1126 CG LEU A 79 11.897 -11.178 7.186 1.00 0.00 C ATOM 1127 CD1 LEU A 79 11.355 -9.819 6.735 1.00 0.00 C ATOM 1128 CD2 LEU A 79 11.984 -11.154 8.712 1.00 0.00 C ATOM 0 H LEU A 79 9.517 -14.001 5.935 1.00 0.00 H new ATOM 0 HA LEU A 79 10.405 -11.604 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.000 -12.187 7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.382 -13.264 7.185 1.00 0.00 H new ATOM 0 HG LEU A 79 12.867 -11.338 6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.038 -9.031 7.053 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.266 -9.805 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.375 -9.652 7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.631 -10.335 9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.988 -11.011 9.131 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.395 -12.099 9.068 1.00 0.00 H new ATOM 1140 N ASP A 80 12.692 -13.964 4.694 1.00 0.00 N ATOM 1141 CA ASP A 80 13.989 -14.286 4.095 1.00 0.00 C ATOM 1142 C ASP A 80 13.849 -14.508 2.590 1.00 0.00 C ATOM 1143 O ASP A 80 14.702 -14.075 1.823 1.00 0.00 O ATOM 1144 CB ASP A 80 14.590 -15.529 4.747 1.00 0.00 C ATOM 1145 CG ASP A 80 16.096 -15.707 4.515 1.00 0.00 C ATOM 1146 OD1 ASP A 80 16.882 -14.730 4.495 1.00 0.00 O ATOM 1147 OD2 ASP A 80 16.530 -16.882 4.536 1.00 0.00 O ATOM 0 H ASP A 80 12.268 -14.729 5.219 1.00 0.00 H new ATOM 0 HA ASP A 80 14.656 -13.441 4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 80 14.404 -15.486 5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.071 -16.409 4.368 1.00 0.00 H new ATOM 1152 N ARG A 81 12.742 -15.121 2.149 1.00 0.00 N ATOM 1153 CA ARG A 81 12.374 -15.280 0.738 1.00 0.00 C ATOM 1154 C ARG A 81 12.445 -13.930 0.030 1.00 0.00 C ATOM 1155 O ARG A 81 13.086 -13.806 -1.010 1.00 0.00 O ATOM 1156 CB ARG A 81 10.939 -15.830 0.629 1.00 0.00 C ATOM 1157 CG ARG A 81 10.783 -17.192 -0.050 1.00 0.00 C ATOM 1158 CD ARG A 81 9.290 -17.294 -0.392 1.00 0.00 C ATOM 1159 NE ARG A 81 8.827 -18.626 -0.785 1.00 0.00 N ATOM 1160 CZ ARG A 81 8.530 -19.008 -2.031 1.00 0.00 C ATOM 1161 NH1 ARG A 81 9.137 -18.460 -3.075 1.00 0.00 N ATOM 1162 NH2 ARG A 81 7.581 -19.917 -2.206 1.00 0.00 N ATOM 0 H ARG A 81 12.058 -15.532 2.785 1.00 0.00 H new ATOM 0 HA ARG A 81 13.069 -15.977 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.522 -15.899 1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.336 -15.105 0.083 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.399 -17.259 -0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.093 -18.001 0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.713 -16.968 0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.071 -16.598 -1.202 1.00 0.00 H new ATOM 0 HE ARG A 81 8.722 -19.321 -0.046 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.842 -17.736 -2.933 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.899 -18.762 -4.020 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.095 -20.309 -1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.337 -20.224 -3.147 1.00 0.00 H new ATOM 1176 N TYR A 82 11.773 -12.921 0.589 1.00 0.00 N ATOM 1177 CA TYR A 82 11.708 -11.582 0.028 1.00 0.00 C ATOM 1178 C TYR A 82 13.107 -10.956 0.014 1.00 0.00 C ATOM 1179 O TYR A 82 13.502 -10.325 -0.971 1.00 0.00 O ATOM 1180 CB TYR A 82 10.762 -10.720 0.872 1.00 0.00 C ATOM 1181 CG TYR A 82 9.261 -10.900 0.680 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.630 -12.161 0.582 1.00 0.00 C ATOM 1183 CD2 TYR A 82 8.466 -9.748 0.661 1.00 0.00 C ATOM 1184 CE1 TYR A 82 7.227 -12.265 0.517 1.00 0.00 C ATOM 1185 CE2 TYR A 82 7.071 -9.845 0.616 1.00 0.00 C ATOM 1186 CZ TYR A 82 6.437 -11.100 0.564 1.00 0.00 C ATOM 1187 OH TYR A 82 5.078 -11.157 0.554 1.00 0.00 O ATOM 0 H TYR A 82 11.251 -13.020 1.460 1.00 0.00 H new ATOM 0 HA TYR A 82 11.333 -11.636 -0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.988 -10.907 1.922 1.00 0.00 H new ATOM 0 HB3 TYR A 82 11.000 -9.675 0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.232 -13.057 0.557 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.934 -8.775 0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.759 -13.234 0.431 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.473 -8.945 0.621 1.00 0.00 H new ATOM 0 HH TYR A 82 4.784 -12.026 0.899 1.00 0.00 H new ATOM 1197 N ARG A 83 13.882 -11.135 1.089 1.00 0.00 N ATOM 1198 CA ARG A 83 15.280 -10.705 1.146 1.00 0.00 C ATOM 1199 C ARG A 83 16.194 -11.482 0.199 1.00 0.00 C ATOM 1200 O ARG A 83 17.337 -11.065 -0.005 1.00 0.00 O ATOM 1201 CB ARG A 83 15.788 -10.768 2.591 1.00 0.00 C ATOM 1202 CG ARG A 83 15.485 -9.462 3.333 1.00 0.00 C ATOM 1203 CD ARG A 83 16.315 -9.381 4.620 1.00 0.00 C ATOM 1204 NE ARG A 83 16.612 -7.995 5.010 1.00 0.00 N ATOM 1205 CZ ARG A 83 17.586 -7.235 4.496 1.00 0.00 C ATOM 1206 NH1 ARG A 83 18.303 -7.649 3.451 1.00 0.00 N ATOM 1207 NH2 ARG A 83 17.860 -6.049 5.014 1.00 0.00 N ATOM 0 H ARG A 83 13.555 -11.583 1.945 1.00 0.00 H new ATOM 0 HA ARG A 83 15.311 -9.672 0.798 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.318 -11.604 3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 83 16.862 -10.953 2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.710 -8.610 2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.423 -9.409 3.572 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.776 -9.875 5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 83 17.250 -9.925 4.481 1.00 0.00 H new ATOM 0 HE ARG A 83 16.026 -7.578 5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.113 -8.558 3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.042 -7.056 3.072 1.00 0.00 H new ATOM 0 HH21 ARG A 83 17.327 -5.706 5.813 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.605 -5.478 4.615 1.00 0.00 H new ATOM 1221 N ARG A 84 15.731 -12.582 -0.386 1.00 0.00 N ATOM 1222 CA ARG A 84 16.433 -13.385 -1.380 1.00 0.00 C ATOM 1223 C ARG A 84 15.775 -13.243 -2.752 1.00 0.00 C ATOM 1224 O ARG A 84 15.981 -14.092 -3.626 1.00 0.00 O ATOM 1225 CB ARG A 84 16.468 -14.833 -0.862 1.00 0.00 C ATOM 1226 CG ARG A 84 17.421 -14.933 0.339 1.00 0.00 C ATOM 1227 CD ARG A 84 17.315 -16.297 1.013 1.00 0.00 C ATOM 1228 NE ARG A 84 18.452 -16.517 1.912 1.00 0.00 N ATOM 1229 CZ ARG A 84 18.759 -17.666 2.519 1.00 0.00 C ATOM 1230 NH1 ARG A 84 17.923 -18.700 2.461 1.00 0.00 N ATOM 1231 NH2 ARG A 84 19.920 -17.781 3.148 1.00 0.00 N ATOM 0 H ARG A 84 14.808 -12.956 -0.168 1.00 0.00 H new ATOM 0 HA ARG A 84 17.458 -13.042 -1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.466 -15.149 -0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.796 -15.505 -1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.446 -14.766 0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.187 -14.149 1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 84 16.383 -16.360 1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 84 17.285 -17.081 0.257 1.00 0.00 H new ATOM 0 HE ARG A 84 19.064 -15.720 2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.043 -18.617 1.951 1.00 0.00 H new ATOM 0 HH12 ARG A 84 18.162 -19.576 2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 84 20.570 -16.996 3.166 1.00 0.00 H new ATOM 0 HH22 ARG A 84 20.163 -18.655 3.614 1.00 0.00 H new ATOM 1245 N ASP A 85 14.962 -12.213 -2.981 1.00 0.00 N ATOM 1246 CA ASP A 85 14.341 -11.983 -4.281 1.00 0.00 C ATOM 1247 C ASP A 85 15.307 -11.325 -5.271 1.00 0.00 C ATOM 1248 O ASP A 85 16.273 -10.679 -4.864 1.00 0.00 O ATOM 1249 CB ASP A 85 13.121 -11.088 -4.116 1.00 0.00 C ATOM 1250 CG ASP A 85 12.315 -11.135 -5.402 1.00 0.00 C ATOM 1251 OD1 ASP A 85 11.892 -12.245 -5.796 1.00 0.00 O ATOM 1252 OD2 ASP A 85 12.246 -10.096 -6.083 1.00 0.00 O ATOM 0 H ASP A 85 14.717 -11.519 -2.274 1.00 0.00 H new ATOM 0 HA ASP A 85 14.053 -12.955 -4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.514 -11.425 -3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.428 -10.065 -3.898 1.00 0.00 H new ATOM 1257 N TYR A 86 15.047 -11.429 -6.576 1.00 0.00 N ATOM 1258 CA TYR A 86 15.871 -10.793 -7.598 1.00 0.00 C ATOM 1259 C TYR A 86 15.515 -9.314 -7.788 1.00 0.00 C ATOM 1260 O TYR A 86 16.396 -8.501 -8.069 1.00 0.00 O ATOM 1261 CB TYR A 86 15.694 -11.556 -8.912 1.00 0.00 C ATOM 1262 CG TYR A 86 16.744 -11.242 -9.956 1.00 0.00 C ATOM 1263 CD1 TYR A 86 16.590 -10.136 -10.811 1.00 0.00 C ATOM 1264 CD2 TYR A 86 17.879 -12.061 -10.074 1.00 0.00 C ATOM 1265 CE1 TYR A 86 17.566 -9.857 -11.780 1.00 0.00 C ATOM 1266 CE2 TYR A 86 18.872 -11.777 -11.024 1.00 0.00 C ATOM 1267 CZ TYR A 86 18.717 -10.664 -11.880 1.00 0.00 C ATOM 1268 OH TYR A 86 19.674 -10.344 -12.788 1.00 0.00 O ATOM 0 H TYR A 86 14.259 -11.957 -6.951 1.00 0.00 H new ATOM 0 HA TYR A 86 16.912 -10.827 -7.276 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.713 -12.626 -8.704 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.710 -11.328 -9.322 1.00 0.00 H new ATOM 0 HD1 TYR A 86 15.721 -9.501 -10.722 1.00 0.00 H new ATOM 0 HD2 TYR A 86 17.989 -12.919 -9.427 1.00 0.00 H new ATOM 0 HE1 TYR A 86 17.435 -9.021 -12.451 1.00 0.00 H new ATOM 0 HE2 TYR A 86 19.748 -12.404 -11.100 1.00 0.00 H new ATOM 0 HH TYR A 86 20.405 -10.994 -12.735 1.00 0.00 H new ATOM 1278 N PHE A 87 14.237 -8.947 -7.667 1.00 0.00 N ATOM 1279 CA PHE A 87 13.780 -7.571 -7.816 1.00 0.00 C ATOM 1280 C PHE A 87 13.796 -6.885 -6.451 1.00 0.00 C ATOM 1281 O PHE A 87 14.406 -5.830 -6.296 1.00 0.00 O ATOM 1282 CB PHE A 87 12.383 -7.543 -8.457 1.00 0.00 C ATOM 1283 CG PHE A 87 11.896 -6.139 -8.767 1.00 0.00 C ATOM 1284 CD1 PHE A 87 11.210 -5.394 -7.790 1.00 0.00 C ATOM 1285 CD2 PHE A 87 12.173 -5.554 -10.018 1.00 0.00 C ATOM 1286 CE1 PHE A 87 10.821 -4.069 -8.055 1.00 0.00 C ATOM 1287 CE2 PHE A 87 11.772 -4.231 -10.283 1.00 0.00 C ATOM 1288 CZ PHE A 87 11.102 -3.484 -9.301 1.00 0.00 C ATOM 0 H PHE A 87 13.486 -9.606 -7.461 1.00 0.00 H new ATOM 0 HA PHE A 87 14.450 -7.024 -8.479 1.00 0.00 H new ATOM 0 HB2 PHE A 87 12.401 -8.126 -9.378 1.00 0.00 H new ATOM 0 HB3 PHE A 87 11.673 -8.027 -7.787 1.00 0.00 H new ATOM 0 HD1 PHE A 87 10.982 -5.841 -6.834 1.00 0.00 H new ATOM 0 HD2 PHE A 87 12.694 -6.121 -10.775 1.00 0.00 H new ATOM 0 HE1 PHE A 87 10.304 -3.499 -7.297 1.00 0.00 H new ATOM 0 HE2 PHE A 87 11.981 -3.789 -11.246 1.00 0.00 H new ATOM 0 HZ PHE A 87 10.804 -2.466 -9.502 1.00 0.00 H new ATOM 1298 N TRP A 88 13.133 -7.467 -5.447 1.00 0.00 N ATOM 1299 CA TRP A 88 12.862 -6.795 -4.180 1.00 0.00 C ATOM 1300 C TRP A 88 14.101 -6.554 -3.302 1.00 0.00 C ATOM 1301 O TRP A 88 13.988 -5.794 -2.339 1.00 0.00 O ATOM 1302 CB TRP A 88 11.778 -7.548 -3.397 1.00 0.00 C ATOM 1303 CG TRP A 88 10.382 -7.451 -3.933 1.00 0.00 C ATOM 1304 CD1 TRP A 88 9.766 -8.326 -4.760 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.388 -6.435 -3.627 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.434 -7.985 -4.893 1.00 0.00 N ATOM 1307 CE2 TRP A 88 8.153 -6.808 -4.230 1.00 0.00 C ATOM 1308 CE3 TRP A 88 9.405 -5.247 -2.875 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 6.989 -6.044 -4.073 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 8.244 -4.474 -2.706 1.00 0.00 C ATOM 1311 CH2 TRP A 88 7.035 -4.872 -3.300 1.00 0.00 C ATOM 0 H TRP A 88 12.770 -8.419 -5.494 1.00 0.00 H new ATOM 0 HA TRP A 88 12.505 -5.800 -4.447 1.00 0.00 H new ATOM 0 HB2 TRP A 88 12.056 -8.601 -3.355 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.777 -7.178 -2.372 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.244 -9.165 -5.244 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.748 -8.532 -5.413 1.00 0.00 H new ATOM 0 HE3 TRP A 88 10.328 -4.922 -2.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 6.066 -6.353 -4.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 8.281 -3.570 -2.117 1.00 0.00 H new ATOM 0 HH2 TRP A 88 6.143 -4.279 -3.163 1.00 0.00 H new ATOM 1322 N GLN A 89 15.270 -7.151 -3.570 1.00 0.00 N ATOM 1323 CA GLN A 89 16.519 -6.864 -2.870 1.00 0.00 C ATOM 1324 C GLN A 89 16.848 -5.374 -2.707 1.00 0.00 C ATOM 1325 O GLN A 89 17.411 -4.991 -1.679 1.00 0.00 O ATOM 1326 CB GLN A 89 17.658 -7.602 -3.584 1.00 0.00 C ATOM 1327 CG GLN A 89 17.971 -8.890 -2.825 1.00 0.00 C ATOM 1328 CD GLN A 89 19.199 -9.609 -3.384 1.00 0.00 C ATOM 1329 OE1 GLN A 89 20.258 -9.661 -2.762 1.00 0.00 O ATOM 1330 NE2 GLN A 89 19.067 -10.168 -4.573 1.00 0.00 N ATOM 0 H GLN A 89 15.371 -7.861 -4.295 1.00 0.00 H new ATOM 0 HA GLN A 89 16.395 -7.221 -1.848 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.373 -7.830 -4.611 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.544 -6.969 -3.633 1.00 0.00 H new ATOM 0 HG2 GLN A 89 18.136 -8.658 -1.773 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.109 -9.556 -2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.177 -10.110 -5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.855 -10.658 -4.997 1.00 0.00 H new ATOM 1339 N THR A 90 16.520 -4.530 -3.678 1.00 0.00 N ATOM 1340 CA THR A 90 16.732 -3.085 -3.598 1.00 0.00 C ATOM 1341 C THR A 90 15.903 -2.463 -2.458 1.00 0.00 C ATOM 1342 O THR A 90 16.416 -1.646 -1.688 1.00 0.00 O ATOM 1343 CB THR A 90 16.475 -2.434 -4.972 1.00 0.00 C ATOM 1344 OG1 THR A 90 16.847 -1.074 -4.918 1.00 0.00 O ATOM 1345 CG2 THR A 90 15.032 -2.536 -5.459 1.00 0.00 C ATOM 0 H THR A 90 16.094 -4.831 -4.555 1.00 0.00 H new ATOM 0 HA THR A 90 17.774 -2.886 -3.346 1.00 0.00 H new ATOM 0 HB THR A 90 17.079 -2.991 -5.688 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.687 -0.656 -5.790 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.941 -2.053 -6.432 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.751 -3.585 -5.548 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.372 -2.043 -4.746 1.00 0.00 H new ATOM 1353 N TYR A 91 14.646 -2.892 -2.281 1.00 0.00 N ATOM 1354 CA TYR A 91 13.742 -2.386 -1.249 1.00 0.00 C ATOM 1355 C TYR A 91 14.080 -2.936 0.144 1.00 0.00 C ATOM 1356 O TYR A 91 13.389 -2.642 1.118 1.00 0.00 O ATOM 1357 CB TYR A 91 12.280 -2.682 -1.618 1.00 0.00 C ATOM 1358 CG TYR A 91 11.760 -1.856 -2.781 1.00 0.00 C ATOM 1359 CD1 TYR A 91 11.197 -0.587 -2.544 1.00 0.00 C ATOM 1360 CD2 TYR A 91 11.866 -2.337 -4.100 1.00 0.00 C ATOM 1361 CE1 TYR A 91 10.745 0.201 -3.617 1.00 0.00 C ATOM 1362 CE2 TYR A 91 11.436 -1.545 -5.179 1.00 0.00 C ATOM 1363 CZ TYR A 91 10.864 -0.275 -4.942 1.00 0.00 C ATOM 1364 OH TYR A 91 10.430 0.487 -5.981 1.00 0.00 O ATOM 0 H TYR A 91 14.225 -3.615 -2.865 1.00 0.00 H new ATOM 0 HA TYR A 91 13.878 -1.306 -1.203 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.185 -3.739 -1.865 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.651 -2.500 -0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.112 -0.217 -1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 91 12.279 -3.318 -4.283 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.307 1.170 -3.429 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.543 -1.908 -6.191 1.00 0.00 H new ATOM 0 HH TYR A 91 10.587 0.012 -6.823 1.00 0.00 H new ATOM 1374 N ALA A 92 15.156 -3.716 0.282 1.00 0.00 N ATOM 1375 CA ALA A 92 15.495 -4.390 1.521 1.00 0.00 C ATOM 1376 C ALA A 92 15.807 -3.406 2.639 1.00 0.00 C ATOM 1377 O ALA A 92 15.710 -3.782 3.807 1.00 0.00 O ATOM 1378 CB ALA A 92 16.663 -5.341 1.304 1.00 0.00 C ATOM 0 H ALA A 92 15.817 -3.894 -0.475 1.00 0.00 H new ATOM 0 HA ALA A 92 14.622 -4.965 1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.906 -5.839 2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.391 -6.087 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.530 -4.779 0.957 1.00 0.00 H new ATOM 1384 N ALA A 93 16.134 -2.157 2.299 1.00 0.00 N ATOM 1385 CA ALA A 93 16.311 -1.090 3.263 1.00 0.00 C ATOM 1386 C ALA A 93 15.024 -0.726 4.023 1.00 0.00 C ATOM 1387 O ALA A 93 15.111 0.091 4.937 1.00 0.00 O ATOM 1388 CB ALA A 93 16.882 0.144 2.561 1.00 0.00 C ATOM 0 H ALA A 93 16.283 -1.864 1.333 1.00 0.00 H new ATOM 0 HA ALA A 93 17.010 -1.456 4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.015 0.946 3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.845 -0.104 2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.194 0.470 1.781 1.00 0.00 H new ATOM 1394 N TRP A 94 13.853 -1.292 3.686 1.00 0.00 N ATOM 1395 CA TRP A 94 12.576 -0.949 4.322 1.00 0.00 C ATOM 1396 C TRP A 94 11.762 -2.189 4.708 1.00 0.00 C ATOM 1397 O TRP A 94 10.573 -2.075 4.995 1.00 0.00 O ATOM 1398 CB TRP A 94 11.789 0.015 3.418 1.00 0.00 C ATOM 1399 CG TRP A 94 12.565 1.233 3.024 1.00 0.00 C ATOM 1400 CD1 TRP A 94 12.806 2.301 3.817 1.00 0.00 C ATOM 1401 CD2 TRP A 94 13.291 1.485 1.787 1.00 0.00 C ATOM 1402 NE1 TRP A 94 13.652 3.180 3.169 1.00 0.00 N ATOM 1403 CE2 TRP A 94 13.993 2.715 1.921 1.00 0.00 C ATOM 1404 CE3 TRP A 94 13.452 0.779 0.578 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 14.823 3.218 0.913 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 14.246 1.298 -0.465 1.00 0.00 C ATOM 1407 CH2 TRP A 94 14.930 2.514 -0.296 1.00 0.00 C ATOM 0 H TRP A 94 13.768 -2.004 2.960 1.00 0.00 H new ATOM 0 HA TRP A 94 12.787 -0.440 5.263 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.479 -0.515 2.518 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.880 0.324 3.934 1.00 0.00 H new ATOM 0 HD1 TRP A 94 12.399 2.445 4.807 1.00 0.00 H new ATOM 0 HE1 TRP A 94 13.981 4.060 3.565 1.00 0.00 H new ATOM 0 HE3 TRP A 94 12.960 -0.174 0.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 15.373 4.135 1.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 14.329 0.759 -1.397 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.538 2.907 -1.097 1.00 0.00 H new ATOM 1418 N ILE A 95 12.367 -3.378 4.679 1.00 0.00 N ATOM 1419 CA ILE A 95 11.685 -4.641 4.953 1.00 0.00 C ATOM 1420 C ILE A 95 11.769 -4.929 6.450 1.00 0.00 C ATOM 1421 O ILE A 95 12.865 -4.946 7.013 1.00 0.00 O ATOM 1422 CB ILE A 95 12.320 -5.764 4.095 1.00 0.00 C ATOM 1423 CG1 ILE A 95 11.931 -5.515 2.626 1.00 0.00 C ATOM 1424 CG2 ILE A 95 11.894 -7.191 4.484 1.00 0.00 C ATOM 1425 CD1 ILE A 95 12.503 -6.534 1.639 1.00 0.00 C ATOM 0 H ILE A 95 13.357 -3.491 4.462 1.00 0.00 H new ATOM 0 HA ILE A 95 10.631 -4.585 4.682 1.00 0.00 H new ATOM 0 HB ILE A 95 13.396 -5.718 4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.844 -5.520 2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.268 -4.519 2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 95 12.388 -7.909 3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 95 12.178 -7.387 5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.813 -7.289 4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.180 -6.283 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 95 13.592 -6.515 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 95 12.146 -7.531 1.897 1.00 0.00 H new ATOM 1437 N GLN A 96 10.641 -5.258 7.078 1.00 0.00 N ATOM 1438 CA GLN A 96 10.558 -5.855 8.411 1.00 0.00 C ATOM 1439 C GLN A 96 9.501 -6.971 8.458 1.00 0.00 C ATOM 1440 O GLN A 96 8.702 -7.091 7.520 1.00 0.00 O ATOM 1441 CB GLN A 96 10.306 -4.763 9.463 1.00 0.00 C ATOM 1442 CG GLN A 96 9.237 -3.712 9.137 1.00 0.00 C ATOM 1443 CD GLN A 96 8.958 -2.777 10.313 1.00 0.00 C ATOM 1444 OE1 GLN A 96 7.825 -2.365 10.556 1.00 0.00 O ATOM 1445 NE2 GLN A 96 9.973 -2.416 11.079 1.00 0.00 N ATOM 0 H GLN A 96 9.724 -5.110 6.656 1.00 0.00 H new ATOM 0 HA GLN A 96 11.512 -6.327 8.647 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.027 -5.251 10.397 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.247 -4.244 9.644 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.560 -3.124 8.278 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.314 -4.215 8.850 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.912 -2.759 10.876 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.817 -1.795 11.873 1.00 0.00 H new ATOM 1454 N PRO A 97 9.496 -7.820 9.503 1.00 0.00 N ATOM 1455 CA PRO A 97 8.398 -8.749 9.752 1.00 0.00 C ATOM 1456 C PRO A 97 7.088 -8.000 10.057 1.00 0.00 C ATOM 1457 O PRO A 97 7.054 -6.769 10.132 1.00 0.00 O ATOM 1458 CB PRO A 97 8.849 -9.645 10.916 1.00 0.00 C ATOM 1459 CG PRO A 97 9.887 -8.798 11.646 1.00 0.00 C ATOM 1460 CD PRO A 97 10.514 -7.947 10.543 1.00 0.00 C ATOM 0 HA PRO A 97 8.180 -9.354 8.872 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.015 -9.905 11.568 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.277 -10.581 10.558 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.426 -8.178 12.415 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.632 -9.420 12.142 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.806 -6.969 10.924 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.415 -8.419 10.151 1.00 0.00 H new ATOM 1468 N MET A 98 6.004 -8.755 10.226 1.00 0.00 N ATOM 1469 CA MET A 98 4.688 -8.276 10.620 1.00 0.00 C ATOM 1470 C MET A 98 4.437 -8.759 12.052 1.00 0.00 C ATOM 1471 O MET A 98 4.985 -9.787 12.454 1.00 0.00 O ATOM 1472 CB MET A 98 3.637 -8.758 9.593 1.00 0.00 C ATOM 1473 CG MET A 98 2.864 -10.042 9.910 1.00 0.00 C ATOM 1474 SD MET A 98 1.304 -10.227 8.998 1.00 0.00 S ATOM 1475 CE MET A 98 1.882 -10.216 7.281 1.00 0.00 C ATOM 0 H MET A 98 6.025 -9.765 10.084 1.00 0.00 H new ATOM 0 HA MET A 98 4.618 -7.188 10.620 1.00 0.00 H new ATOM 0 HB2 MET A 98 2.912 -7.956 9.455 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.143 -8.899 8.638 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.502 -10.898 9.691 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.651 -10.068 10.979 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.024 -10.214 6.608 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.483 -9.324 7.105 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.487 -11.103 7.095 1.00 0.00 H new ATOM 1485 N GLU A 99 3.598 -8.059 12.812 1.00 0.00 N ATOM 1486 CA GLU A 99 3.304 -8.351 14.212 1.00 0.00 C ATOM 1487 C GLU A 99 1.805 -8.139 14.482 1.00 0.00 C ATOM 1488 O GLU A 99 1.055 -7.730 13.584 1.00 0.00 O ATOM 1489 CB GLU A 99 4.187 -7.456 15.100 1.00 0.00 C ATOM 1490 CG GLU A 99 5.639 -7.960 15.174 1.00 0.00 C ATOM 1491 CD GLU A 99 6.544 -7.043 15.998 1.00 0.00 C ATOM 1492 OE1 GLU A 99 6.123 -6.551 17.074 1.00 0.00 O ATOM 1493 OE2 GLU A 99 7.686 -6.766 15.563 1.00 0.00 O ATOM 0 H GLU A 99 3.089 -7.249 12.459 1.00 0.00 H new ATOM 0 HA GLU A 99 3.530 -9.391 14.446 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.177 -6.438 14.710 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.766 -7.417 16.105 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.650 -8.960 15.609 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.040 -8.047 14.164 1.00 0.00 H new ATOM 1500 N GLN A 100 1.368 -8.425 15.711 1.00 0.00 N ATOM 1501 CA GLN A 100 -0.022 -8.334 16.137 1.00 0.00 C ATOM 1502 C GLN A 100 -0.285 -7.041 16.899 1.00 0.00 C ATOM 1503 O GLN A 100 -1.431 -6.561 16.782 1.00 0.00 O ATOM 1504 CB GLN A 100 -0.406 -9.549 16.998 1.00 0.00 C ATOM 1505 CG GLN A 100 -0.366 -10.863 16.201 1.00 0.00 C ATOM 1506 CD GLN A 100 -0.797 -12.071 17.033 1.00 0.00 C ATOM 1507 OE1 GLN A 100 -0.054 -13.042 17.170 1.00 0.00 O ATOM 1508 NE2 GLN A 100 -2.007 -12.064 17.567 1.00 0.00 N ATOM 0 H GLN A 100 1.993 -8.735 16.455 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.643 -8.329 15.241 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.274 -9.620 17.847 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.407 -9.403 17.404 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.017 -10.775 15.331 1.00 0.00 H new ATOM 0 HG3 GLN A 100 0.645 -11.026 15.828 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.613 -11.253 17.446 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.334 -12.870 18.100 1.00 0.00 H new TER 1517 GLN A 100