USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 758 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 33 TYR OH : rot 180:sc= 0.0804 USER MOD Set 1.2: A 70 HIS : no HE2:sc= -1.71 K(o=-1.6,f=-13!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -3.91 X(o=-3.9,f=-4!) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0213) USER MOD Single : A 19 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.3) USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0463) USER MOD Single : A 25 TYR OH : rot -179:sc= 0.0141 USER MOD Single : A 27 TYR OH : rot 22:sc= -0.8 USER MOD Single : A 32 MET CE :methyl 170:sc= -1.19 (180deg=-1.5) USER MOD Single : A 34 HIS : no HD1:sc= -0.364 K(o=-0.36,f=-1.4) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 169:sc= -0.348 (180deg=-0.608) USER MOD Single : A 47 LYS NZ :NH3+ 153:sc= -0.0906 (180deg=-0.429) USER MOD Single : A 51 ASN : amide:sc= -0.487 K(o=-0.49,f=-1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= 0.355 F(o=-1.1,f=0.36) USER MOD Single : A 74 TYR OH : rot 80:sc= -1.69 USER MOD Single : A 76 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.7!) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -0.037 X(o=-0.037,f=0) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -16.672 3.221 1.681 1.00 0.00 N ATOM 33 CA ARG A 3 -16.760 1.780 1.886 1.00 0.00 C ATOM 34 C ARG A 3 -16.384 1.026 0.616 1.00 0.00 C ATOM 35 O ARG A 3 -15.846 -0.079 0.673 1.00 0.00 O ATOM 36 CB ARG A 3 -18.173 1.391 2.325 1.00 0.00 C ATOM 37 CG ARG A 3 -19.235 1.667 1.273 1.00 0.00 C ATOM 38 CD ARG A 3 -20.610 1.829 1.898 1.00 0.00 C ATOM 39 NE ARG A 3 -21.592 2.332 0.940 1.00 0.00 N ATOM 40 CZ ARG A 3 -22.910 2.251 1.117 1.00 0.00 C ATOM 41 NH1 ARG A 3 -23.407 1.689 2.212 1.00 0.00 N ATOM 42 NH2 ARG A 3 -23.732 2.734 0.197 1.00 0.00 N ATOM 0 HA ARG A 3 -16.055 1.507 2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.188 0.330 2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.425 1.936 3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -18.976 2.571 0.722 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -19.256 0.849 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -20.945 0.869 2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.545 2.514 2.744 1.00 0.00 H new ATOM 0 HE ARG A 3 -21.248 2.771 0.086 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -22.779 1.316 2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -24.417 1.630 2.342 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -23.356 3.167 -0.646 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -24.741 2.672 0.332 1.00 0.00 H new ATOM 56 N LYS A 4 -16.669 1.632 -0.531 1.00 0.00 N ATOM 57 CA LYS A 4 -16.361 1.020 -1.819 1.00 0.00 C ATOM 58 C LYS A 4 -14.859 0.837 -1.990 1.00 0.00 C ATOM 59 O LYS A 4 -14.412 -0.112 -2.633 1.00 0.00 O ATOM 60 CB LYS A 4 -16.922 1.866 -2.963 1.00 0.00 C ATOM 61 CG LYS A 4 -16.736 1.236 -4.333 1.00 0.00 C ATOM 62 CD LYS A 4 -17.699 1.821 -5.353 1.00 0.00 C ATOM 63 CE LYS A 4 -17.832 0.923 -6.573 1.00 0.00 C ATOM 64 NZ LYS A 4 -18.735 1.511 -7.600 1.00 0.00 N ATOM 0 H LYS A 4 -17.113 2.548 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.832 0.037 -1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.985 2.035 -2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.438 2.843 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.711 1.391 -4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.889 0.159 -4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.678 1.959 -4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.350 2.806 -5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.847 0.755 -7.009 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.215 -0.050 -6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.799 0.868 -8.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.682 1.648 -7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -18.356 2.428 -7.911 1.00 0.00 H new ATOM 78 N VAL A 5 -14.081 1.745 -1.408 1.00 0.00 N ATOM 79 CA VAL A 5 -12.628 1.666 -1.498 1.00 0.00 C ATOM 80 C VAL A 5 -12.147 0.285 -1.070 1.00 0.00 C ATOM 81 O VAL A 5 -11.191 -0.255 -1.627 1.00 0.00 O ATOM 82 CB VAL A 5 -11.947 2.733 -0.620 1.00 0.00 C ATOM 83 CG1 VAL A 5 -10.444 2.735 -0.847 1.00 0.00 C ATOM 84 CG2 VAL A 5 -12.538 4.107 -0.897 1.00 0.00 C ATOM 0 H VAL A 5 -14.430 2.539 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.356 1.848 -2.538 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.131 2.487 0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.982 3.496 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.036 1.757 -0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.234 2.954 -1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.045 4.849 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.388 4.363 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.605 4.095 -0.676 1.00 0.00 H new ATOM 94 N ALA A 6 -12.832 -0.285 -0.085 1.00 0.00 N ATOM 95 CA ALA A 6 -12.495 -1.611 0.412 1.00 0.00 C ATOM 96 C ALA A 6 -12.901 -2.681 -0.593 1.00 0.00 C ATOM 97 O ALA A 6 -12.185 -3.661 -0.798 1.00 0.00 O ATOM 98 CB ALA A 6 -13.167 -1.858 1.755 1.00 0.00 C ATOM 0 H ALA A 6 -13.625 0.152 0.385 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.415 -1.664 0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.906 -2.853 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.828 -1.112 2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.248 -1.786 1.639 1.00 0.00 H new ATOM 104 N ARG A 7 -14.059 -2.485 -1.219 1.00 0.00 N ATOM 105 CA ARG A 7 -14.564 -3.432 -2.207 1.00 0.00 C ATOM 106 C ARG A 7 -13.692 -3.438 -3.456 1.00 0.00 C ATOM 107 O ARG A 7 -13.446 -4.488 -4.046 1.00 0.00 O ATOM 108 CB ARG A 7 -16.009 -3.095 -2.579 1.00 0.00 C ATOM 109 CG ARG A 7 -16.877 -4.322 -2.814 1.00 0.00 C ATOM 110 CD ARG A 7 -17.753 -4.624 -1.609 1.00 0.00 C ATOM 111 NE ARG A 7 -19.021 -3.901 -1.658 1.00 0.00 N ATOM 112 CZ ARG A 7 -19.957 -4.107 -2.582 1.00 0.00 C ATOM 113 NH1 ARG A 7 -19.771 -5.011 -3.535 1.00 0.00 N ATOM 114 NH2 ARG A 7 -21.082 -3.403 -2.553 1.00 0.00 N ATOM 0 H ARG A 7 -14.664 -1.679 -1.059 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.534 -4.427 -1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.450 -2.495 -1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.010 -2.481 -3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -17.505 -4.162 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.243 -5.182 -3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.948 -5.695 -1.563 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -17.219 -4.357 -0.697 1.00 0.00 H new ATOM 0 HE ARG A 7 -19.200 -3.197 -0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -18.907 -5.553 -3.562 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -20.492 -5.164 -4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -21.228 -2.705 -1.823 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -21.800 -3.560 -3.260 1.00 0.00 H new ATOM 128 N GLU A 8 -13.225 -2.261 -3.852 1.00 0.00 N ATOM 129 CA GLU A 8 -12.378 -2.139 -5.031 1.00 0.00 C ATOM 130 C GLU A 8 -11.004 -2.740 -4.768 1.00 0.00 C ATOM 131 O GLU A 8 -10.514 -3.557 -5.548 1.00 0.00 O ATOM 132 CB GLU A 8 -12.241 -0.671 -5.442 1.00 0.00 C ATOM 133 CG GLU A 8 -13.559 -0.022 -5.828 1.00 0.00 C ATOM 134 CD GLU A 8 -13.423 1.467 -6.078 1.00 0.00 C ATOM 135 OE1 GLU A 8 -13.039 1.848 -7.204 1.00 0.00 O ATOM 136 OE2 GLU A 8 -13.702 2.254 -5.149 1.00 0.00 O ATOM 0 H GLU A 8 -13.418 -1.380 -3.376 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.847 -2.689 -5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.798 -0.112 -4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.551 -0.601 -6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.948 -0.503 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.288 -0.189 -5.035 1.00 0.00 H new ATOM 143 N PHE A 9 -10.392 -2.343 -3.658 1.00 0.00 N ATOM 144 CA PHE A 9 -9.081 -2.857 -3.289 1.00 0.00 C ATOM 145 C PHE A 9 -9.158 -4.357 -3.035 1.00 0.00 C ATOM 146 O PHE A 9 -8.276 -5.115 -3.440 1.00 0.00 O ATOM 147 CB PHE A 9 -8.556 -2.141 -2.044 1.00 0.00 C ATOM 148 CG PHE A 9 -7.162 -2.552 -1.659 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.068 -2.101 -2.380 1.00 0.00 C ATOM 150 CD2 PHE A 9 -6.949 -3.389 -0.576 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.786 -2.477 -2.028 1.00 0.00 C ATOM 152 CE2 PHE A 9 -5.669 -3.768 -0.218 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.587 -3.313 -0.945 1.00 0.00 C ATOM 0 H PHE A 9 -10.783 -1.668 -3.000 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.392 -2.672 -4.113 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.574 -1.065 -2.219 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.228 -2.340 -1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.219 -1.448 -3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.792 -3.749 -0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.941 -2.119 -2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.515 -4.419 0.630 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.586 -3.610 -0.668 1.00 0.00 H new ATOM 163 N ARG A 10 -10.227 -4.778 -2.367 1.00 0.00 N ATOM 164 CA ARG A 10 -10.432 -6.188 -2.061 1.00 0.00 C ATOM 165 C ARG A 10 -10.741 -6.976 -3.329 1.00 0.00 C ATOM 166 O ARG A 10 -10.206 -8.064 -3.541 1.00 0.00 O ATOM 167 CB ARG A 10 -11.568 -6.356 -1.051 1.00 0.00 C ATOM 168 CG ARG A 10 -11.674 -7.763 -0.483 1.00 0.00 C ATOM 169 CD ARG A 10 -13.027 -8.390 -0.785 1.00 0.00 C ATOM 170 NE ARG A 10 -13.013 -9.839 -0.597 1.00 0.00 N ATOM 171 CZ ARG A 10 -12.952 -10.430 0.594 1.00 0.00 C ATOM 172 NH1 ARG A 10 -12.900 -9.703 1.702 1.00 0.00 N ATOM 173 NH2 ARG A 10 -12.941 -11.755 0.676 1.00 0.00 N ATOM 0 H ARG A 10 -10.965 -4.162 -2.027 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.512 -6.578 -1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.422 -5.652 -0.232 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.511 -6.095 -1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.883 -8.385 -0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.519 -7.733 0.596 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.784 -7.948 -0.138 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.312 -8.160 -1.812 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.052 -10.432 -1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.907 -8.685 1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.853 -10.162 2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.979 -12.319 -0.173 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.894 -12.209 1.588 1.00 0.00 H new ATOM 187 N HIS A 11 -11.610 -6.423 -4.172 1.00 0.00 N ATOM 188 CA HIS A 11 -11.984 -7.084 -5.418 1.00 0.00 C ATOM 189 C HIS A 11 -10.763 -7.306 -6.298 1.00 0.00 C ATOM 190 O HIS A 11 -10.572 -8.392 -6.847 1.00 0.00 O ATOM 191 CB HIS A 11 -13.029 -6.262 -6.173 1.00 0.00 C ATOM 192 CG HIS A 11 -14.428 -6.501 -5.699 1.00 0.00 C ATOM 193 ND1 HIS A 11 -15.523 -6.489 -6.538 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.906 -6.761 -4.462 1.00 0.00 C ATOM 195 CE1 HIS A 11 -16.614 -6.733 -5.835 1.00 0.00 C ATOM 196 NE2 HIS A 11 -16.267 -6.903 -4.573 1.00 0.00 N ATOM 0 H HIS A 11 -12.066 -5.524 -4.016 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.415 -8.053 -5.167 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -12.793 -5.203 -6.067 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.968 -6.498 -7.235 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -14.325 -6.842 -3.555 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.619 -6.785 -6.226 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -16.906 -7.107 -3.805 1.00 0.00 H new ATOM 205 N LYS A 12 -9.935 -6.280 -6.421 1.00 0.00 N ATOM 206 CA LYS A 12 -8.727 -6.380 -7.229 1.00 0.00 C ATOM 207 C LYS A 12 -7.838 -7.497 -6.698 1.00 0.00 C ATOM 208 O LYS A 12 -7.350 -8.335 -7.459 1.00 0.00 O ATOM 209 CB LYS A 12 -7.966 -5.051 -7.219 1.00 0.00 C ATOM 210 CG LYS A 12 -8.252 -4.178 -8.431 1.00 0.00 C ATOM 211 CD LYS A 12 -9.259 -3.087 -8.107 1.00 0.00 C ATOM 212 CE LYS A 12 -9.121 -1.904 -9.053 1.00 0.00 C ATOM 213 NZ LYS A 12 -9.348 -2.297 -10.471 1.00 0.00 N ATOM 0 H LYS A 12 -10.075 -5.373 -5.975 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.011 -6.609 -8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.225 -4.500 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.896 -5.255 -7.172 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.324 -3.726 -8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.633 -4.796 -9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.269 -3.491 -8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.116 -2.752 -7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.835 -1.130 -8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.126 -1.472 -8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.380 -1.445 -11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.573 -2.913 -10.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.251 -2.808 -10.549 1.00 0.00 H new ATOM 227 N VAL A 13 -7.643 -7.511 -5.383 1.00 0.00 N ATOM 228 CA VAL A 13 -6.822 -8.528 -4.743 1.00 0.00 C ATOM 229 C VAL A 13 -7.288 -9.929 -5.120 1.00 0.00 C ATOM 230 O VAL A 13 -6.487 -10.769 -5.527 1.00 0.00 O ATOM 231 CB VAL A 13 -6.839 -8.383 -3.208 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.959 -9.440 -2.555 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.396 -6.987 -2.797 1.00 0.00 C ATOM 0 H VAL A 13 -8.044 -6.828 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.803 -8.382 -5.100 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.862 -8.533 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.987 -9.318 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.326 -10.432 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.933 -9.328 -2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.415 -6.905 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.383 -6.806 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.072 -6.249 -3.229 1.00 0.00 H new ATOM 243 N ASP A 14 -8.584 -10.178 -4.988 1.00 0.00 N ATOM 244 CA ASP A 14 -9.135 -11.486 -5.320 1.00 0.00 C ATOM 245 C ASP A 14 -9.174 -11.704 -6.831 1.00 0.00 C ATOM 246 O ASP A 14 -9.288 -12.837 -7.296 1.00 0.00 O ATOM 247 CB ASP A 14 -10.534 -11.658 -4.720 1.00 0.00 C ATOM 248 CG ASP A 14 -11.556 -10.710 -5.313 1.00 0.00 C ATOM 249 OD1 ASP A 14 -11.619 -10.599 -6.555 1.00 0.00 O ATOM 250 OD2 ASP A 14 -12.301 -10.081 -4.531 1.00 0.00 O ATOM 0 H ASP A 14 -9.269 -9.499 -4.656 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.477 -12.239 -4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.866 -12.684 -4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.483 -11.500 -3.643 1.00 0.00 H new ATOM 255 N PHE A 15 -9.067 -10.619 -7.597 1.00 0.00 N ATOM 256 CA PHE A 15 -9.078 -10.716 -9.050 1.00 0.00 C ATOM 257 C PHE A 15 -7.796 -11.374 -9.536 1.00 0.00 C ATOM 258 O PHE A 15 -7.799 -12.154 -10.488 1.00 0.00 O ATOM 259 CB PHE A 15 -9.229 -9.329 -9.678 1.00 0.00 C ATOM 260 CG PHE A 15 -9.798 -9.358 -11.068 1.00 0.00 C ATOM 261 CD1 PHE A 15 -11.147 -9.599 -11.273 1.00 0.00 C ATOM 262 CD2 PHE A 15 -8.983 -9.144 -12.168 1.00 0.00 C ATOM 263 CE1 PHE A 15 -11.673 -9.626 -12.552 1.00 0.00 C ATOM 264 CE2 PHE A 15 -9.504 -9.170 -13.449 1.00 0.00 C ATOM 265 CZ PHE A 15 -10.850 -9.412 -13.640 1.00 0.00 C ATOM 0 H PHE A 15 -8.972 -9.670 -7.236 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.928 -11.327 -9.353 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.873 -8.720 -9.043 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.254 -8.843 -9.703 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.795 -9.768 -10.425 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.930 -8.955 -12.024 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.726 -9.814 -12.700 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.859 -9.001 -14.299 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.259 -9.434 -14.639 1.00 0.00 H new ATOM 275 N LEU A 16 -6.699 -11.040 -8.869 1.00 0.00 N ATOM 276 CA LEU A 16 -5.390 -11.581 -9.214 1.00 0.00 C ATOM 277 C LEU A 16 -5.076 -12.821 -8.386 1.00 0.00 C ATOM 278 O LEU A 16 -4.631 -13.841 -8.913 1.00 0.00 O ATOM 279 CB LEU A 16 -4.307 -10.520 -8.997 1.00 0.00 C ATOM 280 CG LEU A 16 -4.788 -9.069 -9.100 1.00 0.00 C ATOM 281 CD1 LEU A 16 -3.840 -8.138 -8.360 1.00 0.00 C ATOM 282 CD2 LEU A 16 -4.916 -8.655 -10.558 1.00 0.00 C ATOM 0 H LEU A 16 -6.690 -10.393 -8.081 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.407 -11.866 -10.266 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.865 -10.671 -8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.515 -10.677 -9.729 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.771 -8.997 -8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.198 -7.112 -8.444 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.798 -8.422 -7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.844 -8.212 -8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.259 -7.622 -10.614 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.946 -8.743 -11.048 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.635 -9.303 -11.059 1.00 0.00 H new ATOM 294 N ILE A 17 -5.309 -12.721 -7.084 1.00 0.00 N ATOM 295 CA ILE A 17 -5.054 -13.824 -6.167 1.00 0.00 C ATOM 296 C ILE A 17 -6.027 -14.969 -6.407 1.00 0.00 C ATOM 297 O ILE A 17 -5.618 -16.116 -6.587 1.00 0.00 O ATOM 298 CB ILE A 17 -5.132 -13.347 -4.693 1.00 0.00 C ATOM 299 CG1 ILE A 17 -3.872 -12.568 -4.335 1.00 0.00 C ATOM 300 CG2 ILE A 17 -5.300 -14.512 -3.726 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.868 -11.140 -4.838 1.00 0.00 C ATOM 0 H ILE A 17 -5.677 -11.881 -6.637 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.044 -14.188 -6.357 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.008 -12.706 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.757 -12.561 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.006 -13.089 -4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.350 -14.133 -2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.219 -15.049 -3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.451 -15.189 -3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.939 -10.653 -4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.950 -11.137 -5.925 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.712 -10.601 -4.409 1.00 0.00 H new ATOM 313 N GLU A 18 -7.313 -14.654 -6.407 1.00 0.00 N ATOM 314 CA GLU A 18 -8.348 -15.649 -6.621 1.00 0.00 C ATOM 315 C GLU A 18 -8.252 -16.796 -5.625 1.00 0.00 C ATOM 316 O GLU A 18 -9.004 -17.768 -5.696 1.00 0.00 O ATOM 317 CB GLU A 18 -8.275 -16.170 -8.045 1.00 0.00 C ATOM 318 CG GLU A 18 -7.988 -15.093 -9.076 1.00 0.00 C ATOM 319 CD GLU A 18 -8.285 -15.546 -10.492 1.00 0.00 C ATOM 320 OE1 GLU A 18 -7.921 -16.689 -10.839 1.00 0.00 O ATOM 321 OE2 GLU A 18 -8.881 -14.756 -11.255 1.00 0.00 O ATOM 0 H GLU A 18 -7.665 -13.708 -6.260 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.313 -15.168 -6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.499 -16.933 -8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.219 -16.656 -8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.585 -14.210 -8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.941 -14.797 -9.005 1.00 0.00 H new ATOM 328 N ASN A 19 -7.322 -16.666 -4.704 1.00 0.00 N ATOM 329 CA ASN A 19 -7.099 -17.673 -3.676 1.00 0.00 C ATOM 330 C ASN A 19 -7.519 -17.148 -2.306 1.00 0.00 C ATOM 331 O ASN A 19 -8.207 -16.133 -2.205 1.00 0.00 O ATOM 332 CB ASN A 19 -5.627 -18.088 -3.651 1.00 0.00 C ATOM 333 CG ASN A 19 -5.451 -19.579 -3.431 1.00 0.00 C ATOM 334 OD1 ASN A 19 -5.953 -20.394 -4.204 1.00 0.00 O ATOM 335 ND2 ASN A 19 -4.735 -19.941 -2.373 1.00 0.00 N ATOM 0 H ASN A 19 -6.697 -15.862 -4.642 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.708 -18.545 -3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.156 -17.804 -4.592 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.112 -17.543 -2.860 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.583 -20.930 -2.174 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.337 -19.230 -1.759 1.00 0.00 H new ATOM 342 N ASP A 20 -7.101 -17.845 -1.254 1.00 0.00 N ATOM 343 CA ASP A 20 -7.435 -17.449 0.106 1.00 0.00 C ATOM 344 C ASP A 20 -6.174 -17.248 0.941 1.00 0.00 C ATOM 345 O ASP A 20 -6.036 -16.245 1.641 1.00 0.00 O ATOM 346 CB ASP A 20 -8.335 -18.497 0.761 1.00 0.00 C ATOM 347 CG ASP A 20 -9.480 -17.874 1.537 1.00 0.00 C ATOM 348 OD1 ASP A 20 -9.291 -17.575 2.734 1.00 0.00 O ATOM 349 OD2 ASP A 20 -10.564 -17.686 0.946 1.00 0.00 O ATOM 0 H ASP A 20 -6.530 -18.688 -1.319 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.971 -16.501 0.059 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.737 -19.157 -0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.739 -19.115 1.432 1.00 0.00 H new ATOM 354 N ALA A 21 -5.257 -18.207 0.862 1.00 0.00 N ATOM 355 CA ALA A 21 -4.009 -18.132 1.612 1.00 0.00 C ATOM 356 C ALA A 21 -3.222 -16.881 1.238 1.00 0.00 C ATOM 357 O ALA A 21 -2.611 -16.239 2.093 1.00 0.00 O ATOM 358 CB ALA A 21 -3.171 -19.378 1.370 1.00 0.00 C ATOM 0 H ALA A 21 -5.355 -19.044 0.287 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.253 -18.074 2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.242 -19.308 1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.727 -20.259 1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.942 -19.462 0.308 1.00 0.00 H new ATOM 364 N GLU A 22 -3.243 -16.542 -0.046 1.00 0.00 N ATOM 365 CA GLU A 22 -2.534 -15.366 -0.537 1.00 0.00 C ATOM 366 C GLU A 22 -3.124 -14.091 0.054 1.00 0.00 C ATOM 367 O GLU A 22 -2.394 -13.222 0.531 1.00 0.00 O ATOM 368 CB GLU A 22 -2.586 -15.315 -2.065 1.00 0.00 C ATOM 369 CG GLU A 22 -1.385 -15.959 -2.736 1.00 0.00 C ATOM 370 CD GLU A 22 -1.603 -17.431 -3.031 1.00 0.00 C ATOM 371 OE1 GLU A 22 -1.825 -18.203 -2.076 1.00 0.00 O ATOM 372 OE2 GLU A 22 -1.553 -17.810 -4.221 1.00 0.00 O ATOM 0 H GLU A 22 -3.743 -17.064 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.493 -15.439 -0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.493 -15.814 -2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.655 -14.275 -2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.168 -15.434 -3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.511 -15.846 -2.095 1.00 0.00 H new ATOM 379 N LYS A 23 -4.450 -13.985 0.027 1.00 0.00 N ATOM 380 CA LYS A 23 -5.131 -12.815 0.569 1.00 0.00 C ATOM 381 C LYS A 23 -4.863 -12.694 2.061 1.00 0.00 C ATOM 382 O LYS A 23 -4.764 -11.590 2.595 1.00 0.00 O ATOM 383 CB LYS A 23 -6.636 -12.900 0.306 1.00 0.00 C ATOM 384 CG LYS A 23 -7.158 -11.796 -0.599 1.00 0.00 C ATOM 385 CD LYS A 23 -8.634 -11.982 -0.912 1.00 0.00 C ATOM 386 CE LYS A 23 -8.855 -13.109 -1.907 1.00 0.00 C ATOM 387 NZ LYS A 23 -10.253 -13.620 -1.866 1.00 0.00 N ATOM 0 H LYS A 23 -5.072 -14.693 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.743 -11.927 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.864 -13.866 -0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.166 -12.859 1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.006 -10.829 -0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.587 -11.785 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.178 -12.196 0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.041 -11.055 -1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.627 -12.755 -2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.164 -13.924 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.391 -14.316 -2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.430 -14.073 -0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.916 -12.829 -1.996 1.00 0.00 H new ATOM 401 N ASP A 24 -4.732 -13.833 2.729 1.00 0.00 N ATOM 402 CA ASP A 24 -4.457 -13.847 4.157 1.00 0.00 C ATOM 403 C ASP A 24 -3.117 -13.178 4.435 1.00 0.00 C ATOM 404 O ASP A 24 -3.006 -12.323 5.313 1.00 0.00 O ATOM 405 CB ASP A 24 -4.450 -15.282 4.688 1.00 0.00 C ATOM 406 CG ASP A 24 -5.005 -15.380 6.095 1.00 0.00 C ATOM 407 OD1 ASP A 24 -4.219 -15.230 7.056 1.00 0.00 O ATOM 408 OD2 ASP A 24 -6.225 -15.606 6.238 1.00 0.00 O ATOM 0 H ASP A 24 -4.812 -14.757 2.304 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.244 -13.293 4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.038 -15.915 4.024 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.430 -15.666 4.675 1.00 0.00 H new ATOM 413 N TYR A 25 -2.102 -13.571 3.669 1.00 0.00 N ATOM 414 CA TYR A 25 -0.769 -13.005 3.822 1.00 0.00 C ATOM 415 C TYR A 25 -0.754 -11.541 3.418 1.00 0.00 C ATOM 416 O TYR A 25 -0.265 -10.694 4.165 1.00 0.00 O ATOM 417 CB TYR A 25 0.251 -13.796 3.002 1.00 0.00 C ATOM 418 CG TYR A 25 1.671 -13.298 3.151 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.396 -13.546 4.308 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.285 -12.580 2.132 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.694 -13.092 4.448 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.583 -12.124 2.264 1.00 0.00 C ATOM 423 CZ TYR A 25 4.282 -12.382 3.423 1.00 0.00 C ATOM 424 OH TYR A 25 5.574 -11.928 3.558 1.00 0.00 O ATOM 0 H TYR A 25 -2.179 -14.278 2.938 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.492 -13.072 4.874 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.210 -14.843 3.301 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.031 -13.753 1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.938 -14.103 5.112 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.739 -12.375 1.223 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.244 -13.292 5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.047 -11.568 1.463 1.00 0.00 H new ATOM 0 HH TYR A 25 5.833 -11.433 2.753 1.00 0.00 H new ATOM 434 N LEU A 26 -1.311 -11.231 2.248 1.00 0.00 N ATOM 435 CA LEU A 26 -1.360 -9.846 1.800 1.00 0.00 C ATOM 436 C LEU A 26 -2.088 -9.029 2.849 1.00 0.00 C ATOM 437 O LEU A 26 -1.660 -7.933 3.212 1.00 0.00 O ATOM 438 CB LEU A 26 -2.062 -9.726 0.444 1.00 0.00 C ATOM 439 CG LEU A 26 -2.334 -8.291 -0.016 1.00 0.00 C ATOM 440 CD1 LEU A 26 -1.034 -7.586 -0.370 1.00 0.00 C ATOM 441 CD2 LEU A 26 -3.285 -8.283 -1.202 1.00 0.00 C ATOM 0 H LEU A 26 -1.726 -11.907 1.607 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.344 -9.472 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.452 -10.224 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.010 -10.262 0.493 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.804 -7.751 0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.249 -6.568 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.385 -7.559 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.535 -8.126 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.467 -7.255 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.842 -8.841 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.229 -8.747 -0.915 1.00 0.00 H new ATOM 453 N TYR A 27 -3.165 -9.601 3.375 1.00 0.00 N ATOM 454 CA TYR A 27 -3.914 -8.949 4.431 1.00 0.00 C ATOM 455 C TYR A 27 -2.995 -8.760 5.631 1.00 0.00 C ATOM 456 O TYR A 27 -3.080 -7.761 6.346 1.00 0.00 O ATOM 457 CB TYR A 27 -5.140 -9.776 4.826 1.00 0.00 C ATOM 458 CG TYR A 27 -6.391 -9.401 4.065 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.826 -8.081 4.010 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.141 -10.365 3.403 1.00 0.00 C ATOM 461 CE1 TYR A 27 -7.968 -7.734 3.317 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.286 -10.025 2.707 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.695 -8.710 2.667 1.00 0.00 C ATOM 464 OH TYR A 27 -9.834 -8.368 1.975 1.00 0.00 O ATOM 0 H TYR A 27 -3.533 -10.508 3.087 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.270 -7.982 4.077 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.925 -10.832 4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.323 -9.653 5.893 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.260 -7.314 4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.824 -11.397 3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.291 -6.704 3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.857 -10.787 2.197 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.803 -7.416 1.744 1.00 0.00 H new ATOM 474 N ASP A 28 -2.089 -9.725 5.827 1.00 0.00 N ATOM 475 CA ASP A 28 -1.130 -9.658 6.918 1.00 0.00 C ATOM 476 C ASP A 28 -0.073 -8.597 6.625 1.00 0.00 C ATOM 477 O ASP A 28 0.431 -7.946 7.538 1.00 0.00 O ATOM 478 CB ASP A 28 -0.465 -11.020 7.128 1.00 0.00 C ATOM 479 CG ASP A 28 -1.143 -11.832 8.215 1.00 0.00 C ATOM 480 OD1 ASP A 28 -2.376 -12.015 8.136 1.00 0.00 O ATOM 481 OD2 ASP A 28 -0.441 -12.284 9.143 1.00 0.00 O ATOM 0 H ASP A 28 -2.006 -10.556 5.242 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.660 -9.385 7.830 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.486 -11.580 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.583 -10.873 7.388 1.00 0.00 H new ATOM 486 N VAL A 29 0.253 -8.423 5.342 1.00 0.00 N ATOM 487 CA VAL A 29 1.244 -7.432 4.944 1.00 0.00 C ATOM 488 C VAL A 29 0.773 -6.028 5.305 1.00 0.00 C ATOM 489 O VAL A 29 1.472 -5.286 5.993 1.00 0.00 O ATOM 490 CB VAL A 29 1.539 -7.499 3.431 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.562 -6.446 3.032 1.00 0.00 C ATOM 492 CG2 VAL A 29 2.021 -8.888 3.041 1.00 0.00 C ATOM 0 H VAL A 29 -0.153 -8.952 4.570 1.00 0.00 H new ATOM 0 HA VAL A 29 2.162 -7.659 5.485 1.00 0.00 H new ATOM 0 HB VAL A 29 0.613 -7.293 2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.754 -6.513 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.176 -5.455 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.490 -6.615 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.224 -8.915 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.933 -9.124 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.252 -9.621 3.283 1.00 0.00 H new ATOM 502 N LEU A 30 -0.422 -5.673 4.843 1.00 0.00 N ATOM 503 CA LEU A 30 -0.987 -4.361 5.129 1.00 0.00 C ATOM 504 C LEU A 30 -1.147 -4.174 6.633 1.00 0.00 C ATOM 505 O LEU A 30 -0.893 -3.095 7.169 1.00 0.00 O ATOM 506 CB LEU A 30 -2.340 -4.197 4.432 1.00 0.00 C ATOM 507 CG LEU A 30 -2.264 -3.908 2.932 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.649 -3.974 2.307 1.00 0.00 C ATOM 509 CD2 LEU A 30 -1.628 -2.548 2.682 1.00 0.00 C ATOM 0 H LEU A 30 -1.015 -6.274 4.271 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.305 -3.600 4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.922 -5.106 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.885 -3.386 4.916 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.639 -4.669 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.577 -3.766 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.068 -4.969 2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.296 -3.234 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.582 -2.359 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.226 -1.773 3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.620 -2.536 3.096 1.00 0.00 H new ATOM 521 N ARG A 31 -1.559 -5.242 7.309 1.00 0.00 N ATOM 522 CA ARG A 31 -1.742 -5.206 8.755 1.00 0.00 C ATOM 523 C ARG A 31 -0.425 -4.870 9.447 1.00 0.00 C ATOM 524 O ARG A 31 -0.392 -4.082 10.391 1.00 0.00 O ATOM 525 CB ARG A 31 -2.270 -6.551 9.260 1.00 0.00 C ATOM 526 CG ARG A 31 -3.259 -6.422 10.406 1.00 0.00 C ATOM 527 CD ARG A 31 -3.204 -7.630 11.329 1.00 0.00 C ATOM 528 NE ARG A 31 -3.349 -8.885 10.596 1.00 0.00 N ATOM 529 CZ ARG A 31 -3.208 -10.088 11.151 1.00 0.00 C ATOM 530 NH1 ARG A 31 -2.920 -10.200 12.441 1.00 0.00 N ATOM 531 NH2 ARG A 31 -3.359 -11.179 10.413 1.00 0.00 N ATOM 0 H ARG A 31 -1.772 -6.142 6.879 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.472 -4.432 8.991 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.749 -7.077 8.434 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.429 -7.164 9.584 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.042 -5.518 10.975 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.268 -6.313 10.007 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.256 -7.632 11.868 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.995 -7.552 12.075 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.571 -8.838 9.602 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.806 -9.363 13.013 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.813 -11.123 12.861 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.583 -11.097 9.421 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.251 -12.100 10.837 1.00 0.00 H new ATOM 545 N MET A 32 0.660 -5.466 8.961 1.00 0.00 N ATOM 546 CA MET A 32 1.979 -5.223 9.524 1.00 0.00 C ATOM 547 C MET A 32 2.468 -3.830 9.144 1.00 0.00 C ATOM 548 O MET A 32 3.081 -3.132 9.949 1.00 0.00 O ATOM 549 CB MET A 32 2.972 -6.282 9.036 1.00 0.00 C ATOM 550 CG MET A 32 3.615 -7.076 10.161 1.00 0.00 C ATOM 551 SD MET A 32 5.238 -7.724 9.713 1.00 0.00 S ATOM 552 CE MET A 32 6.187 -6.210 9.597 1.00 0.00 C ATOM 0 H MET A 32 0.649 -6.120 8.179 1.00 0.00 H new ATOM 0 HA MET A 32 1.908 -5.286 10.610 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.457 -6.970 8.365 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.754 -5.794 8.454 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.712 -6.440 11.041 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.961 -7.903 10.437 1.00 0.00 H new ATOM 0 HE1 MET A 32 7.246 -6.451 9.503 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.864 -5.644 8.723 1.00 0.00 H new ATOM 0 HE3 MET A 32 6.029 -5.612 10.495 1.00 0.00 H new ATOM 562 N TYR A 33 2.180 -3.431 7.908 1.00 0.00 N ATOM 563 CA TYR A 33 2.578 -2.120 7.415 1.00 0.00 C ATOM 564 C TYR A 33 1.914 -1.012 8.229 1.00 0.00 C ATOM 565 O TYR A 33 2.425 0.103 8.306 1.00 0.00 O ATOM 566 CB TYR A 33 2.211 -1.978 5.933 1.00 0.00 C ATOM 567 CG TYR A 33 2.395 -0.579 5.385 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.489 0.195 5.752 1.00 0.00 C ATOM 569 CD2 TYR A 33 1.474 -0.034 4.501 1.00 0.00 C ATOM 570 CE1 TYR A 33 3.659 1.473 5.253 1.00 0.00 C ATOM 571 CE2 TYR A 33 1.636 1.243 3.996 1.00 0.00 C ATOM 572 CZ TYR A 33 2.729 1.992 4.376 1.00 0.00 C ATOM 573 OH TYR A 33 2.895 3.263 3.876 1.00 0.00 O ATOM 0 H TYR A 33 1.672 -3.999 7.230 1.00 0.00 H new ATOM 0 HA TYR A 33 3.659 -2.026 7.523 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.821 -2.669 5.350 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.172 -2.277 5.796 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.219 -0.208 6.438 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.616 -0.618 4.202 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.515 2.062 5.548 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.910 1.651 3.308 1.00 0.00 H new ATOM 0 HH TYR A 33 2.153 3.476 3.272 1.00 0.00 H new ATOM 583 N HIS A 34 0.773 -1.326 8.831 1.00 0.00 N ATOM 584 CA HIS A 34 0.044 -0.354 9.636 1.00 0.00 C ATOM 585 C HIS A 34 0.651 -0.235 11.032 1.00 0.00 C ATOM 586 O HIS A 34 0.681 0.848 11.616 1.00 0.00 O ATOM 587 CB HIS A 34 -1.429 -0.755 9.741 1.00 0.00 C ATOM 588 CG HIS A 34 -2.262 0.222 10.512 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.196 0.349 11.884 1.00 0.00 N ATOM 590 CD2 HIS A 34 -3.186 1.119 10.096 1.00 0.00 C ATOM 591 CE1 HIS A 34 -3.044 1.283 12.278 1.00 0.00 C ATOM 592 NE2 HIS A 34 -3.655 1.766 11.212 1.00 0.00 N ATOM 0 H HIS A 34 0.333 -2.245 8.777 1.00 0.00 H new ATOM 0 HA HIS A 34 0.118 0.616 9.145 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.841 -0.859 8.737 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.498 -1.733 10.217 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.496 1.293 9.076 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.209 1.597 13.298 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.362 2.501 11.217 1.00 0.00 H new ATOM 601 N GLN A 35 1.126 -1.356 11.564 1.00 0.00 N ATOM 602 CA GLN A 35 1.723 -1.380 12.895 1.00 0.00 C ATOM 603 C GLN A 35 3.150 -0.842 12.877 1.00 0.00 C ATOM 604 O GLN A 35 3.457 0.160 13.523 1.00 0.00 O ATOM 605 CB GLN A 35 1.710 -2.804 13.455 1.00 0.00 C ATOM 606 CG GLN A 35 1.277 -2.881 14.909 1.00 0.00 C ATOM 607 CD GLN A 35 0.368 -4.063 15.184 1.00 0.00 C ATOM 608 OE1 GLN A 35 0.797 -5.076 15.736 1.00 0.00 O ATOM 609 NE2 GLN A 35 -0.897 -3.939 14.799 1.00 0.00 N ATOM 0 H GLN A 35 1.109 -2.261 11.094 1.00 0.00 H new ATOM 0 HA GLN A 35 1.126 -0.733 13.538 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.040 -3.417 12.852 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.707 -3.233 13.358 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.160 -2.951 15.544 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.761 -1.960 15.180 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.210 -3.081 14.345 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.555 -4.702 14.958 1.00 0.00 H new ATOM 618 N THR A 36 4.018 -1.523 12.143 1.00 0.00 N ATOM 619 CA THR A 36 5.422 -1.129 12.047 1.00 0.00 C ATOM 620 C THR A 36 5.588 0.153 11.235 1.00 0.00 C ATOM 621 O THR A 36 6.513 0.930 11.474 1.00 0.00 O ATOM 622 CB THR A 36 6.246 -2.253 11.418 1.00 0.00 C ATOM 623 OG1 THR A 36 7.608 -1.881 11.319 1.00 0.00 O ATOM 624 CG2 THR A 36 5.775 -2.641 10.033 1.00 0.00 C ATOM 0 H THR A 36 3.777 -2.354 11.603 1.00 0.00 H new ATOM 0 HA THR A 36 5.783 -0.939 13.058 1.00 0.00 H new ATOM 0 HB THR A 36 6.116 -3.109 12.080 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.119 -2.614 10.915 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.404 -3.443 9.646 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.741 -2.982 10.083 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.841 -1.777 9.371 1.00 0.00 H new ATOM 632 N MET A 37 4.695 0.368 10.274 1.00 0.00 N ATOM 633 CA MET A 37 4.755 1.558 9.430 1.00 0.00 C ATOM 634 C MET A 37 5.985 1.520 8.526 1.00 0.00 C ATOM 635 O MET A 37 6.629 2.542 8.291 1.00 0.00 O ATOM 636 CB MET A 37 4.768 2.826 10.292 1.00 0.00 C ATOM 637 CG MET A 37 3.596 3.757 10.019 1.00 0.00 C ATOM 638 SD MET A 37 2.119 3.302 10.950 1.00 0.00 S ATOM 639 CE MET A 37 0.917 3.153 9.630 1.00 0.00 C ATOM 0 H MET A 37 3.923 -0.264 10.060 1.00 0.00 H new ATOM 0 HA MET A 37 3.866 1.573 8.799 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.758 2.541 11.344 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.699 3.365 10.117 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.881 4.778 10.273 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.368 3.745 8.953 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.009 2.690 10.016 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.682 4.143 9.238 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.328 2.535 8.832 1.00 0.00 H new ATOM 649 N ASP A 38 6.302 0.332 8.019 1.00 0.00 N ATOM 650 CA ASP A 38 7.453 0.155 7.139 1.00 0.00 C ATOM 651 C ASP A 38 7.007 -0.117 5.706 1.00 0.00 C ATOM 652 O ASP A 38 6.458 -1.177 5.407 1.00 0.00 O ATOM 653 CB ASP A 38 8.332 -0.993 7.638 1.00 0.00 C ATOM 654 CG ASP A 38 9.231 -0.578 8.784 1.00 0.00 C ATOM 655 OD1 ASP A 38 8.902 0.412 9.470 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.267 -1.243 8.997 1.00 0.00 O ATOM 0 H ASP A 38 5.777 -0.523 8.203 1.00 0.00 H new ATOM 0 HA ASP A 38 8.032 1.078 7.151 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.698 -1.819 7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.944 -1.362 6.815 1.00 0.00 H new ATOM 661 N VAL A 39 7.248 0.848 4.825 1.00 0.00 N ATOM 662 CA VAL A 39 6.874 0.714 3.423 1.00 0.00 C ATOM 663 C VAL A 39 7.797 -0.261 2.698 1.00 0.00 C ATOM 664 O VAL A 39 7.413 -0.869 1.699 1.00 0.00 O ATOM 665 CB VAL A 39 6.914 2.073 2.698 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.374 1.943 1.282 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.131 3.118 3.481 1.00 0.00 C ATOM 0 H VAL A 39 7.701 1.732 5.058 1.00 0.00 H new ATOM 0 HA VAL A 39 5.854 0.329 3.404 1.00 0.00 H new ATOM 0 HB VAL A 39 7.952 2.399 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.411 2.914 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.981 1.229 0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.342 1.593 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.170 4.072 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.093 2.799 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.569 3.233 4.473 1.00 0.00 H new ATOM 677 N ALA A 40 9.013 -0.414 3.213 1.00 0.00 N ATOM 678 CA ALA A 40 9.981 -1.323 2.616 1.00 0.00 C ATOM 679 C ALA A 40 9.597 -2.767 2.893 1.00 0.00 C ATOM 680 O ALA A 40 9.952 -3.672 2.139 1.00 0.00 O ATOM 681 CB ALA A 40 11.377 -1.031 3.144 1.00 0.00 C ATOM 0 H ALA A 40 9.349 0.079 4.040 1.00 0.00 H new ATOM 0 HA ALA A 40 9.981 -1.169 1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.090 -1.719 2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.653 -0.006 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.391 -1.159 4.226 1.00 0.00 H new ATOM 687 N VAL A 41 8.866 -2.974 3.982 1.00 0.00 N ATOM 688 CA VAL A 41 8.430 -4.306 4.360 1.00 0.00 C ATOM 689 C VAL A 41 7.226 -4.740 3.533 1.00 0.00 C ATOM 690 O VAL A 41 7.183 -5.860 3.024 1.00 0.00 O ATOM 691 CB VAL A 41 8.073 -4.381 5.856 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.695 -5.803 6.249 1.00 0.00 C ATOM 693 CG2 VAL A 41 9.229 -3.876 6.705 1.00 0.00 C ATOM 0 H VAL A 41 8.565 -2.234 4.616 1.00 0.00 H new ATOM 0 HA VAL A 41 9.264 -4.981 4.165 1.00 0.00 H new ATOM 0 HB VAL A 41 7.210 -3.740 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.446 -5.833 7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.833 -6.125 5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.535 -6.470 6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.959 -3.936 7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.111 -4.489 6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.446 -2.840 6.445 1.00 0.00 H new ATOM 703 N LEU A 42 6.250 -3.847 3.399 1.00 0.00 N ATOM 704 CA LEU A 42 5.050 -4.148 2.629 1.00 0.00 C ATOM 705 C LEU A 42 5.404 -4.421 1.171 1.00 0.00 C ATOM 706 O LEU A 42 4.848 -5.327 0.548 1.00 0.00 O ATOM 707 CB LEU A 42 4.040 -2.999 2.736 1.00 0.00 C ATOM 708 CG LEU A 42 4.288 -1.811 1.803 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.707 -2.083 0.423 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.692 -0.541 2.393 1.00 0.00 C ATOM 0 H LEU A 42 6.267 -2.914 3.811 1.00 0.00 H new ATOM 0 HA LEU A 42 4.591 -5.046 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.044 -3.394 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.037 -2.636 3.764 1.00 0.00 H new ATOM 0 HG LEU A 42 5.364 -1.673 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.894 -1.227 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.178 -2.969 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.633 -2.248 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.876 0.295 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.618 -0.671 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.154 -0.337 3.359 1.00 0.00 H new ATOM 722 N VAL A 43 6.337 -3.641 0.631 1.00 0.00 N ATOM 723 CA VAL A 43 6.763 -3.815 -0.751 1.00 0.00 C ATOM 724 C VAL A 43 7.387 -5.193 -0.948 1.00 0.00 C ATOM 725 O VAL A 43 7.103 -5.881 -1.929 1.00 0.00 O ATOM 726 CB VAL A 43 7.777 -2.732 -1.173 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.202 -2.924 -2.623 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.191 -1.344 -0.967 1.00 0.00 C ATOM 0 H VAL A 43 6.809 -2.886 1.128 1.00 0.00 H new ATOM 0 HA VAL A 43 5.876 -3.721 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 43 8.662 -2.830 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.917 -2.149 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.666 -3.903 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.328 -2.857 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.920 -0.593 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.288 -1.237 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.944 -1.206 0.086 1.00 0.00 H new ATOM 738 N GLY A 44 8.235 -5.593 -0.004 1.00 0.00 N ATOM 739 CA GLY A 44 8.879 -6.892 -0.087 1.00 0.00 C ATOM 740 C GLY A 44 7.874 -8.024 -0.157 1.00 0.00 C ATOM 741 O GLY A 44 7.945 -8.873 -1.045 1.00 0.00 O ATOM 0 H GLY A 44 8.487 -5.041 0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.520 -6.922 -0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.523 -7.033 0.781 1.00 0.00 H new ATOM 745 N ASP A 45 6.933 -8.033 0.782 1.00 0.00 N ATOM 746 CA ASP A 45 5.905 -9.065 0.821 1.00 0.00 C ATOM 747 C ASP A 45 5.057 -9.026 -0.447 1.00 0.00 C ATOM 748 O ASP A 45 4.745 -10.065 -1.033 1.00 0.00 O ATOM 749 CB ASP A 45 5.014 -8.884 2.051 1.00 0.00 C ATOM 750 CG ASP A 45 5.813 -8.838 3.340 1.00 0.00 C ATOM 751 OD1 ASP A 45 6.870 -9.498 3.408 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.378 -8.141 4.281 1.00 0.00 O ATOM 0 H ASP A 45 6.862 -7.338 1.525 1.00 0.00 H new ATOM 0 HA ASP A 45 6.398 -10.035 0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.440 -7.963 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.296 -9.703 2.100 1.00 0.00 H new ATOM 757 N LEU A 46 4.691 -7.818 -0.869 1.00 0.00 N ATOM 758 CA LEU A 46 3.881 -7.641 -2.072 1.00 0.00 C ATOM 759 C LEU A 46 4.491 -8.400 -3.247 1.00 0.00 C ATOM 760 O LEU A 46 3.782 -9.049 -4.014 1.00 0.00 O ATOM 761 CB LEU A 46 3.751 -6.155 -2.417 1.00 0.00 C ATOM 762 CG LEU A 46 2.514 -5.457 -1.844 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.566 -3.964 -2.127 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.241 -6.061 -2.419 1.00 0.00 C ATOM 0 H LEU A 46 4.942 -6.949 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 46 2.887 -8.043 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.640 -5.636 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.737 -6.050 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 46 2.508 -5.606 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.679 -3.484 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.458 -3.537 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.598 -3.799 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.374 -5.551 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.240 -5.945 -3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.195 -7.121 -2.168 1.00 0.00 H new ATOM 776 N LYS A 47 5.812 -8.319 -3.376 1.00 0.00 N ATOM 777 CA LYS A 47 6.516 -9.007 -4.453 1.00 0.00 C ATOM 778 C LYS A 47 6.418 -10.519 -4.274 1.00 0.00 C ATOM 779 O LYS A 47 6.067 -11.247 -5.206 1.00 0.00 O ATOM 780 CB LYS A 47 7.983 -8.578 -4.489 1.00 0.00 C ATOM 781 CG LYS A 47 8.193 -7.177 -5.042 1.00 0.00 C ATOM 782 CD LYS A 47 9.079 -6.341 -4.131 1.00 0.00 C ATOM 783 CE LYS A 47 10.502 -6.256 -4.661 1.00 0.00 C ATOM 784 NZ LYS A 47 10.569 -5.522 -5.955 1.00 0.00 N ATOM 0 H LYS A 47 6.415 -7.785 -2.750 1.00 0.00 H new ATOM 0 HA LYS A 47 6.047 -8.735 -5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.392 -8.627 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.546 -9.287 -5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.645 -7.240 -6.032 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.228 -6.685 -5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.664 -5.337 -4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.087 -6.776 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.134 -5.756 -3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.901 -7.262 -4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.509 -5.089 -6.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.404 -6.185 -6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.841 -4.779 -5.971 1.00 0.00 H new ATOM 798 N LEU A 48 6.719 -10.986 -3.064 1.00 0.00 N ATOM 799 CA LEU A 48 6.657 -12.411 -2.756 1.00 0.00 C ATOM 800 C LEU A 48 5.304 -12.988 -3.159 1.00 0.00 C ATOM 801 O LEU A 48 5.187 -14.175 -3.463 1.00 0.00 O ATOM 802 CB LEU A 48 6.902 -12.646 -1.265 1.00 0.00 C ATOM 803 CG LEU A 48 8.355 -12.485 -0.814 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.421 -12.174 0.674 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.153 -13.739 -1.134 1.00 0.00 C ATOM 0 H LEU A 48 7.008 -10.398 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 48 7.437 -12.917 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.282 -11.952 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.568 -13.652 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 48 8.794 -11.649 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.462 -12.063 0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.883 -11.248 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.965 -12.988 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.184 -13.607 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.714 -14.592 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.134 -13.918 -2.209 1.00 0.00 H new ATOM 817 N VAL A 49 4.286 -12.132 -3.172 1.00 0.00 N ATOM 818 CA VAL A 49 2.945 -12.545 -3.552 1.00 0.00 C ATOM 819 C VAL A 49 2.665 -12.169 -5.002 1.00 0.00 C ATOM 820 O VAL A 49 1.868 -12.814 -5.683 1.00 0.00 O ATOM 821 CB VAL A 49 1.879 -11.896 -2.651 1.00 0.00 C ATOM 822 CG1 VAL A 49 0.507 -12.493 -2.925 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.253 -12.054 -1.185 1.00 0.00 C ATOM 0 H VAL A 49 4.368 -11.146 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 49 2.893 -13.627 -3.433 1.00 0.00 H new ATOM 0 HB VAL A 49 1.837 -10.831 -2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.231 -12.020 -2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.238 -12.323 -3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.530 -13.565 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.488 -11.589 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.326 -13.114 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.213 -11.572 -1.001 1.00 0.00 H new ATOM 833 N ILE A 50 3.332 -11.117 -5.468 1.00 0.00 N ATOM 834 CA ILE A 50 3.164 -10.645 -6.835 1.00 0.00 C ATOM 835 C ILE A 50 4.335 -11.069 -7.716 1.00 0.00 C ATOM 836 O ILE A 50 4.611 -10.456 -8.747 1.00 0.00 O ATOM 837 CB ILE A 50 3.012 -9.114 -6.882 1.00 0.00 C ATOM 838 CG1 ILE A 50 1.892 -8.663 -5.945 1.00 0.00 C ATOM 839 CG2 ILE A 50 2.740 -8.645 -8.299 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.082 -7.260 -5.413 1.00 0.00 C ATOM 0 H ILE A 50 3.996 -10.575 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 50 2.252 -11.101 -7.220 1.00 0.00 H new ATOM 0 HB ILE A 50 3.947 -8.665 -6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.941 -8.717 -6.475 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.829 -9.356 -5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.636 -7.560 -8.309 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.569 -8.936 -8.944 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.819 -9.101 -8.663 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.251 -7.005 -4.755 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.017 -7.206 -4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.115 -6.557 -6.245 1.00 0.00 H new ATOM 852 N ASN A 51 5.016 -12.129 -7.307 1.00 0.00 N ATOM 853 CA ASN A 51 6.157 -12.649 -8.057 1.00 0.00 C ATOM 854 C ASN A 51 5.822 -12.772 -9.542 1.00 0.00 C ATOM 855 O ASN A 51 6.700 -12.667 -10.397 1.00 0.00 O ATOM 856 CB ASN A 51 6.580 -14.009 -7.502 1.00 0.00 C ATOM 857 CG ASN A 51 7.686 -13.895 -6.472 1.00 0.00 C ATOM 858 OD1 ASN A 51 7.490 -14.200 -5.294 1.00 0.00 O ATOM 859 ND2 ASN A 51 8.859 -13.452 -6.910 1.00 0.00 N ATOM 0 H ASN A 51 4.800 -12.650 -6.457 1.00 0.00 H new ATOM 0 HA ASN A 51 6.984 -11.947 -7.947 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.717 -14.499 -7.051 1.00 0.00 H new ATOM 0 HB3 ASN A 51 6.915 -14.645 -8.322 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.641 -13.353 -6.262 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.978 -13.211 -7.894 1.00 0.00 H new ATOM 866 N GLU A 52 4.543 -12.993 -9.838 1.00 0.00 N ATOM 867 CA GLU A 52 4.090 -13.126 -11.217 1.00 0.00 C ATOM 868 C GLU A 52 3.524 -11.803 -11.731 1.00 0.00 C ATOM 869 O GLU A 52 3.058 -10.974 -10.949 1.00 0.00 O ATOM 870 CB GLU A 52 3.027 -14.222 -11.322 1.00 0.00 C ATOM 871 CG GLU A 52 3.413 -15.513 -10.619 1.00 0.00 C ATOM 872 CD GLU A 52 2.215 -16.392 -10.313 1.00 0.00 C ATOM 873 OE1 GLU A 52 1.172 -15.847 -9.895 1.00 0.00 O ATOM 874 OE2 GLU A 52 2.322 -17.624 -10.491 1.00 0.00 O ATOM 0 H GLU A 52 3.804 -13.083 -9.141 1.00 0.00 H new ATOM 0 HA GLU A 52 4.947 -13.400 -11.832 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.093 -13.853 -10.898 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.838 -14.434 -12.374 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.115 -16.066 -11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.931 -15.275 -9.690 1.00 0.00 H new ATOM 881 N PRO A 53 3.561 -11.587 -13.057 1.00 0.00 N ATOM 882 CA PRO A 53 3.053 -10.356 -13.672 1.00 0.00 C ATOM 883 C PRO A 53 1.539 -10.215 -13.553 1.00 0.00 C ATOM 884 O PRO A 53 0.996 -9.117 -13.679 1.00 0.00 O ATOM 885 CB PRO A 53 3.461 -10.491 -15.138 1.00 0.00 C ATOM 886 CG PRO A 53 3.599 -11.953 -15.356 1.00 0.00 C ATOM 887 CD PRO A 53 4.101 -12.520 -14.059 1.00 0.00 C ATOM 0 HA PRO A 53 3.455 -9.470 -13.181 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.709 -10.061 -15.800 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.397 -9.970 -15.338 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.643 -12.398 -15.632 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.295 -12.162 -16.168 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.743 -13.537 -13.898 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.190 -12.557 -14.030 1.00 0.00 H new ATOM 895 N SER A 54 0.857 -11.332 -13.317 1.00 0.00 N ATOM 896 CA SER A 54 -0.595 -11.328 -13.190 1.00 0.00 C ATOM 897 C SER A 54 -1.044 -10.512 -11.980 1.00 0.00 C ATOM 898 O SER A 54 -2.056 -9.812 -12.034 1.00 0.00 O ATOM 899 CB SER A 54 -1.120 -12.761 -13.073 1.00 0.00 C ATOM 900 OG SER A 54 -2.327 -12.924 -13.800 1.00 0.00 O ATOM 0 H SER A 54 1.287 -12.251 -13.210 1.00 0.00 H new ATOM 0 HA SER A 54 -1.007 -10.864 -14.086 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.370 -13.458 -13.447 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.288 -13.006 -12.024 1.00 0.00 H new ATOM 0 HG SER A 54 -2.641 -13.848 -13.711 1.00 0.00 H new ATOM 906 N ARG A 55 -0.291 -10.610 -10.891 1.00 0.00 N ATOM 907 CA ARG A 55 -0.618 -9.883 -9.666 1.00 0.00 C ATOM 908 C ARG A 55 -0.002 -8.482 -9.657 1.00 0.00 C ATOM 909 O ARG A 55 -0.008 -7.804 -8.631 1.00 0.00 O ATOM 910 CB ARG A 55 -0.136 -10.668 -8.444 1.00 0.00 C ATOM 911 CG ARG A 55 -0.934 -11.936 -8.182 1.00 0.00 C ATOM 912 CD ARG A 55 -0.045 -13.169 -8.174 1.00 0.00 C ATOM 913 NE ARG A 55 -0.661 -14.295 -8.874 1.00 0.00 N ATOM 914 CZ ARG A 55 -1.561 -15.106 -8.325 1.00 0.00 C ATOM 915 NH1 ARG A 55 -1.959 -14.918 -7.072 1.00 0.00 N ATOM 916 NH2 ARG A 55 -2.069 -16.108 -9.031 1.00 0.00 N ATOM 0 H ARG A 55 0.550 -11.184 -10.829 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.702 -9.774 -9.627 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.913 -10.931 -8.582 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.191 -10.026 -7.565 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.447 -11.851 -7.224 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.703 -12.047 -8.947 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.910 -12.930 -8.642 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.168 -13.455 -7.144 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.384 -14.469 -9.840 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.574 -14.148 -6.525 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.650 -15.544 -6.657 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.769 -16.256 -9.995 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.759 -16.730 -8.610 1.00 0.00 H new ATOM 930 N LEU A 56 0.529 -8.053 -10.798 1.00 0.00 N ATOM 931 CA LEU A 56 1.147 -6.734 -10.911 1.00 0.00 C ATOM 932 C LEU A 56 0.216 -5.624 -10.409 1.00 0.00 C ATOM 933 O LEU A 56 0.640 -4.745 -9.660 1.00 0.00 O ATOM 934 CB LEU A 56 1.543 -6.459 -12.364 1.00 0.00 C ATOM 935 CG LEU A 56 2.968 -6.876 -12.735 1.00 0.00 C ATOM 936 CD1 LEU A 56 3.078 -7.115 -14.233 1.00 0.00 C ATOM 937 CD2 LEU A 56 3.964 -5.818 -12.287 1.00 0.00 C ATOM 0 H LEU A 56 0.544 -8.600 -11.659 1.00 0.00 H new ATOM 0 HA LEU A 56 2.038 -6.735 -10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.845 -6.980 -13.020 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.430 -5.393 -12.560 1.00 0.00 H new ATOM 0 HG LEU A 56 3.202 -7.808 -12.220 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.098 -7.411 -14.480 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.389 -7.907 -14.527 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.826 -6.199 -14.767 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.973 -6.130 -12.558 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.733 -4.871 -12.775 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.901 -5.694 -11.206 1.00 0.00 H new ATOM 949 N PRO A 57 -1.065 -5.641 -10.826 1.00 0.00 N ATOM 950 CA PRO A 57 -2.045 -4.625 -10.424 1.00 0.00 C ATOM 951 C PRO A 57 -1.987 -4.268 -8.939 1.00 0.00 C ATOM 952 O PRO A 57 -2.381 -3.171 -8.548 1.00 0.00 O ATOM 953 CB PRO A 57 -3.377 -5.288 -10.765 1.00 0.00 C ATOM 954 CG PRO A 57 -3.068 -6.146 -11.941 1.00 0.00 C ATOM 955 CD PRO A 57 -1.661 -6.644 -11.735 1.00 0.00 C ATOM 0 HA PRO A 57 -1.867 -3.675 -10.928 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.753 -5.878 -9.929 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.141 -4.548 -11.002 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.769 -6.977 -12.012 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.149 -5.580 -12.869 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.649 -7.641 -11.294 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.116 -6.705 -12.677 1.00 0.00 H new ATOM 963 N LEU A 58 -1.503 -5.190 -8.111 1.00 0.00 N ATOM 964 CA LEU A 58 -1.411 -4.948 -6.672 1.00 0.00 C ATOM 965 C LEU A 58 -0.598 -3.690 -6.371 1.00 0.00 C ATOM 966 O LEU A 58 -1.034 -2.826 -5.610 1.00 0.00 O ATOM 967 CB LEU A 58 -0.789 -6.155 -5.965 1.00 0.00 C ATOM 968 CG LEU A 58 -1.746 -6.937 -5.063 1.00 0.00 C ATOM 969 CD1 LEU A 58 -1.049 -8.149 -4.467 1.00 0.00 C ATOM 970 CD2 LEU A 58 -2.293 -6.039 -3.963 1.00 0.00 C ATOM 0 H LEU A 58 -1.170 -6.107 -8.408 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.423 -4.797 -6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.388 -6.833 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.054 -5.812 -5.365 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.582 -7.287 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.746 -8.692 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.707 -8.803 -5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.194 -7.822 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.972 -6.611 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.468 -5.659 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.831 -5.203 -4.410 1.00 0.00 H new ATOM 982 N PHE A 59 0.586 -3.594 -6.968 1.00 0.00 N ATOM 983 CA PHE A 59 1.461 -2.444 -6.756 1.00 0.00 C ATOM 984 C PHE A 59 0.745 -1.132 -7.067 1.00 0.00 C ATOM 985 O PHE A 59 0.750 -0.202 -6.259 1.00 0.00 O ATOM 986 CB PHE A 59 2.716 -2.567 -7.624 1.00 0.00 C ATOM 987 CG PHE A 59 3.421 -3.885 -7.477 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.921 -4.284 -6.248 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.584 -4.724 -8.567 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.571 -5.496 -6.109 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.234 -5.936 -8.434 1.00 0.00 C ATOM 992 CZ PHE A 59 4.728 -6.323 -7.204 1.00 0.00 C ATOM 0 H PHE A 59 0.962 -4.298 -7.603 1.00 0.00 H new ATOM 0 HA PHE A 59 1.746 -2.434 -5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.440 -2.426 -8.669 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.407 -1.764 -7.366 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.802 -3.641 -5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.199 -4.428 -9.531 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.956 -5.796 -5.145 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.356 -6.581 -9.292 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.236 -7.270 -7.098 1.00 0.00 H new ATOM 1002 N ASP A 60 0.125 -1.063 -8.241 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.593 0.135 -8.654 1.00 0.00 C ATOM 1004 C ASP A 60 -1.905 0.261 -7.891 1.00 0.00 C ATOM 1005 O ASP A 60 -2.405 1.359 -7.670 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.865 0.105 -10.159 1.00 0.00 C ATOM 1007 CG ASP A 60 0.215 0.812 -10.955 1.00 0.00 C ATOM 1008 OD1 ASP A 60 1.400 0.447 -10.803 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -0.123 1.732 -11.729 1.00 0.00 O ATOM 0 H ASP A 60 0.106 -1.822 -8.922 1.00 0.00 H new ATOM 0 HA ASP A 60 0.030 1.000 -8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.939 -0.930 -10.492 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.828 0.574 -10.361 1.00 0.00 H new ATOM 1014 N ALA A 61 -2.454 -0.878 -7.495 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.705 -0.915 -6.756 1.00 0.00 C ATOM 1016 C ALA A 61 -3.543 -0.322 -5.356 1.00 0.00 C ATOM 1017 O ALA A 61 -4.387 0.445 -4.893 1.00 0.00 O ATOM 1018 CB ALA A 61 -4.206 -2.346 -6.671 1.00 0.00 C ATOM 0 H ALA A 61 -2.047 -1.796 -7.676 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.437 -0.307 -7.288 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.144 -2.371 -6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.368 -2.735 -7.676 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.466 -2.961 -6.159 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.460 -0.703 -4.684 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.183 -0.232 -3.329 1.00 0.00 C ATOM 1026 C ILE A 62 -1.693 1.216 -3.305 1.00 0.00 C ATOM 1027 O ILE A 62 -1.991 1.963 -2.376 1.00 0.00 O ATOM 1028 CB ILE A 62 -1.142 -1.126 -2.629 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.483 -2.606 -2.824 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -1.065 -0.792 -1.147 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.270 -3.478 -3.060 1.00 0.00 C ATOM 0 H ILE A 62 -1.756 -1.340 -5.058 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.130 -0.284 -2.792 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.168 -0.935 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.015 -2.967 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.163 -2.706 -3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.325 -1.433 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.776 0.252 -1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.039 -0.955 -0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.586 -4.513 -3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.251 -3.142 -3.957 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.401 -3.408 -2.204 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.921 1.600 -4.317 1.00 0.00 N ATOM 1044 CA ARG A 63 -0.366 2.955 -4.395 1.00 0.00 C ATOM 1045 C ARG A 63 -1.396 4.034 -4.025 1.00 0.00 C ATOM 1046 O ARG A 63 -1.128 4.881 -3.174 1.00 0.00 O ATOM 1047 CB ARG A 63 0.197 3.212 -5.796 1.00 0.00 C ATOM 1048 CG ARG A 63 0.674 4.642 -6.015 1.00 0.00 C ATOM 1049 CD ARG A 63 2.118 4.684 -6.494 1.00 0.00 C ATOM 1050 NE ARG A 63 2.210 4.899 -7.937 1.00 0.00 N ATOM 1051 CZ ARG A 63 3.346 5.168 -8.576 1.00 0.00 C ATOM 1052 NH1 ARG A 63 4.487 5.255 -7.905 1.00 0.00 N ATOM 1053 NH2 ARG A 63 3.340 5.349 -9.890 1.00 0.00 N ATOM 0 H ARG A 63 -0.663 0.995 -5.097 1.00 0.00 H new ATOM 0 HA ARG A 63 0.438 3.019 -3.662 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.029 2.530 -5.974 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.570 2.978 -6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.033 5.132 -6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.582 5.203 -5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.649 5.481 -5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.613 3.748 -6.234 1.00 0.00 H new ATOM 0 HE ARG A 63 1.353 4.839 -8.487 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.496 5.115 -6.895 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.355 5.461 -8.399 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.465 5.282 -10.410 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.210 5.555 -10.380 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.582 4.035 -4.667 1.00 0.00 N ATOM 1068 CA PRO A 64 -3.625 5.030 -4.401 1.00 0.00 C ATOM 1069 C PRO A 64 -3.789 5.354 -2.917 1.00 0.00 C ATOM 1070 O PRO A 64 -3.730 6.517 -2.518 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.885 4.351 -4.931 1.00 0.00 C ATOM 1072 CG PRO A 64 -4.409 3.477 -6.042 1.00 0.00 C ATOM 1073 CD PRO A 64 -2.990 3.082 -5.713 1.00 0.00 C ATOM 0 HA PRO A 64 -3.392 5.988 -4.866 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.377 3.768 -4.153 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.609 5.084 -5.287 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.043 2.595 -6.138 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.452 4.006 -6.994 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.935 2.053 -5.357 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.344 3.151 -6.588 1.00 0.00 H new ATOM 1081 N LEU A 65 -3.989 4.323 -2.101 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.154 4.515 -0.663 1.00 0.00 C ATOM 1083 C LEU A 65 -2.819 4.842 0.002 1.00 0.00 C ATOM 1084 O LEU A 65 -2.781 5.462 1.064 1.00 0.00 O ATOM 1085 CB LEU A 65 -4.780 3.277 -0.018 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.015 1.969 -0.233 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.015 1.138 1.039 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.624 1.183 -1.386 1.00 0.00 C ATOM 0 H LEU A 65 -4.041 3.352 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.826 5.360 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.871 3.453 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.790 3.156 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.982 2.208 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.467 0.211 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.537 1.700 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.042 0.905 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.069 0.255 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.665 0.953 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.574 1.778 -2.298 1.00 0.00 H new ATOM 1100 N ILE A 66 -1.730 4.418 -0.630 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.393 4.662 -0.102 1.00 0.00 C ATOM 1102 C ILE A 66 -0.045 6.154 -0.153 1.00 0.00 C ATOM 1103 O ILE A 66 -0.160 6.788 -1.202 1.00 0.00 O ATOM 1104 CB ILE A 66 0.668 3.855 -0.884 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.517 2.361 -0.595 1.00 0.00 C ATOM 1106 CG2 ILE A 66 2.077 4.318 -0.537 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.383 1.484 -1.474 1.00 0.00 C ATOM 0 H ILE A 66 -1.747 3.903 -1.510 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.389 4.335 0.938 1.00 0.00 H new ATOM 0 HB ILE A 66 0.507 4.029 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.767 2.174 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.527 2.077 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.802 3.732 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.186 5.373 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.253 4.181 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.224 0.438 -1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.118 1.642 -2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.432 1.740 -1.323 1.00 0.00 H new ATOM 1119 N PRO A 67 0.398 6.730 0.982 1.00 0.00 N ATOM 1120 CA PRO A 67 0.774 8.146 1.062 1.00 0.00 C ATOM 1121 C PRO A 67 1.634 8.596 -0.092 1.00 0.00 C ATOM 1122 O PRO A 67 2.522 7.885 -0.559 1.00 0.00 O ATOM 1123 CB PRO A 67 1.549 8.229 2.376 1.00 0.00 C ATOM 1124 CG PRO A 67 0.961 7.154 3.222 1.00 0.00 C ATOM 1125 CD PRO A 67 0.576 6.044 2.279 1.00 0.00 C ATOM 0 HA PRO A 67 -0.099 8.797 1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.616 8.072 2.218 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.437 9.208 2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.680 6.804 3.963 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.092 7.520 3.769 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.350 5.279 2.224 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.340 5.548 2.598 1.00 0.00 H new ATOM 1133 N LEU A 68 1.340 9.800 -0.532 1.00 0.00 N ATOM 1134 CA LEU A 68 2.034 10.430 -1.625 1.00 0.00 C ATOM 1135 C LEU A 68 3.547 10.368 -1.430 1.00 0.00 C ATOM 1136 O LEU A 68 4.290 10.063 -2.364 1.00 0.00 O ATOM 1137 CB LEU A 68 1.553 11.866 -1.682 1.00 0.00 C ATOM 1138 CG LEU A 68 0.555 12.164 -2.795 1.00 0.00 C ATOM 1139 CD1 LEU A 68 0.168 13.636 -2.787 1.00 0.00 C ATOM 1140 CD2 LEU A 68 1.124 11.765 -4.147 1.00 0.00 C ATOM 0 H LEU A 68 0.599 10.375 -0.131 1.00 0.00 H new ATOM 0 HA LEU A 68 1.823 9.913 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.095 12.119 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.417 12.519 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.344 11.573 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.545 13.829 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.286 13.888 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.058 14.247 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.396 11.986 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.040 12.325 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.345 10.698 -4.148 1.00 0.00 H new ATOM 1152 N LYS A 69 4.000 10.637 -0.209 1.00 0.00 N ATOM 1153 CA LYS A 69 5.422 10.585 0.100 1.00 0.00 C ATOM 1154 C LYS A 69 5.894 9.136 0.103 1.00 0.00 C ATOM 1155 O LYS A 69 6.965 8.809 -0.418 1.00 0.00 O ATOM 1156 CB LYS A 69 5.704 11.235 1.458 1.00 0.00 C ATOM 1157 CG LYS A 69 4.837 10.698 2.585 1.00 0.00 C ATOM 1158 CD LYS A 69 5.287 11.232 3.936 1.00 0.00 C ATOM 1159 CE LYS A 69 4.234 10.995 5.007 1.00 0.00 C ATOM 1160 NZ LYS A 69 4.835 10.914 6.367 1.00 0.00 N ATOM 0 H LYS A 69 3.404 10.892 0.579 1.00 0.00 H new ATOM 0 HA LYS A 69 5.967 11.139 -0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.752 11.081 1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.551 12.311 1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.798 10.976 2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.879 9.609 2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.219 10.748 4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.493 12.299 3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.502 11.802 4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.698 10.071 4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.085 10.752 7.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.515 10.128 6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.325 11.805 6.584 1.00 0.00 H new ATOM 1174 N HIS A 70 5.072 8.266 0.679 1.00 0.00 N ATOM 1175 CA HIS A 70 5.381 6.847 0.737 1.00 0.00 C ATOM 1176 C HIS A 70 5.422 6.259 -0.667 1.00 0.00 C ATOM 1177 O HIS A 70 6.149 5.303 -0.928 1.00 0.00 O ATOM 1178 CB HIS A 70 4.348 6.109 1.589 1.00 0.00 C ATOM 1179 CG HIS A 70 4.464 6.401 3.053 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.761 5.710 4.018 1.00 0.00 N ATOM 1181 CD2 HIS A 70 5.208 7.317 3.716 1.00 0.00 C ATOM 1182 CE1 HIS A 70 4.068 6.188 5.210 1.00 0.00 C ATOM 1183 NE2 HIS A 70 4.945 7.163 5.056 1.00 0.00 N ATOM 0 H HIS A 70 4.185 8.522 1.113 1.00 0.00 H new ATOM 0 HA HIS A 70 6.361 6.725 1.198 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.348 6.381 1.250 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.458 5.036 1.431 1.00 0.00 H new ATOM 0 HD1 HIS A 70 3.106 4.949 3.839 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.883 8.035 3.274 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.669 5.840 6.152 1.00 0.00 H new ATOM 1192 N GLN A 71 4.646 6.849 -1.574 1.00 0.00 N ATOM 1193 CA GLN A 71 4.605 6.393 -2.956 1.00 0.00 C ATOM 1194 C GLN A 71 5.981 6.535 -3.592 1.00 0.00 C ATOM 1195 O GLN A 71 6.469 5.621 -4.258 1.00 0.00 O ATOM 1196 CB GLN A 71 3.573 7.194 -3.755 1.00 0.00 C ATOM 1197 CG GLN A 71 2.139 6.758 -3.505 1.00 0.00 C ATOM 1198 CD GLN A 71 1.132 7.615 -4.246 1.00 0.00 C ATOM 1199 OE1 GLN A 71 1.373 7.832 -5.534 1.00 0.00 O flip ATOM 1200 NE2 GLN A 71 0.148 8.077 -3.668 1.00 0.00 N flip ATOM 0 H GLN A 71 4.038 7.643 -1.374 1.00 0.00 H new ATOM 0 HA GLN A 71 4.313 5.343 -2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.672 8.250 -3.504 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.794 7.097 -4.818 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.021 5.718 -3.811 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.931 6.802 -2.436 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.002 7.885 -2.677 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.521 8.652 -4.180 1.00 0.00 H new ATOM 1209 N VAL A 72 6.613 7.682 -3.365 1.00 0.00 N ATOM 1210 CA VAL A 72 7.944 7.932 -3.898 1.00 0.00 C ATOM 1211 C VAL A 72 8.923 6.915 -3.338 1.00 0.00 C ATOM 1212 O VAL A 72 9.600 6.210 -4.087 1.00 0.00 O ATOM 1213 CB VAL A 72 8.449 9.342 -3.550 1.00 0.00 C ATOM 1214 CG1 VAL A 72 9.633 9.716 -4.428 1.00 0.00 C ATOM 1215 CG2 VAL A 72 7.333 10.368 -3.680 1.00 0.00 C ATOM 0 H VAL A 72 6.225 8.450 -2.817 1.00 0.00 H new ATOM 0 HA VAL A 72 7.878 7.847 -4.983 1.00 0.00 H new ATOM 0 HB VAL A 72 8.780 9.338 -2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.977 10.717 -4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.442 9.002 -4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.330 9.697 -5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.717 11.357 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.961 10.373 -4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.521 10.110 -3.000 1.00 0.00 H new ATOM 1225 N GLU A 73 8.977 6.825 -2.010 1.00 0.00 N ATOM 1226 CA GLU A 73 9.861 5.869 -1.355 1.00 0.00 C ATOM 1227 C GLU A 73 9.513 4.462 -1.811 1.00 0.00 C ATOM 1228 O GLU A 73 10.389 3.613 -1.974 1.00 0.00 O ATOM 1229 CB GLU A 73 9.747 5.981 0.168 1.00 0.00 C ATOM 1230 CG GLU A 73 11.071 5.797 0.891 1.00 0.00 C ATOM 1231 CD GLU A 73 10.993 6.181 2.355 1.00 0.00 C ATOM 1232 OE1 GLU A 73 10.336 7.196 2.669 1.00 0.00 O ATOM 1233 OE2 GLU A 73 11.589 5.466 3.189 1.00 0.00 O ATOM 0 H GLU A 73 8.423 7.398 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 73 10.891 6.092 -1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.336 6.958 0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.039 5.234 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.385 4.756 0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.835 6.400 0.401 1.00 0.00 H new ATOM 1240 N TYR A 74 8.225 4.235 -2.052 1.00 0.00 N ATOM 1241 CA TYR A 74 7.758 2.946 -2.535 1.00 0.00 C ATOM 1242 C TYR A 74 8.440 2.645 -3.860 1.00 0.00 C ATOM 1243 O TYR A 74 8.750 1.494 -4.172 1.00 0.00 O ATOM 1244 CB TYR A 74 6.238 2.963 -2.710 1.00 0.00 C ATOM 1245 CG TYR A 74 5.631 1.607 -2.997 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.913 0.929 -4.177 1.00 0.00 C ATOM 1247 CD2 TYR A 74 4.768 1.008 -2.087 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.351 -0.306 -4.441 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.205 -0.226 -2.343 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.499 -0.879 -3.521 1.00 0.00 C ATOM 1251 OH TYR A 74 3.936 -2.108 -3.781 1.00 0.00 O ATOM 0 H TYR A 74 7.489 4.929 -1.920 1.00 0.00 H new ATOM 0 HA TYR A 74 8.006 2.170 -1.811 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.784 3.368 -1.805 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.985 3.642 -3.525 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.582 1.374 -4.899 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.534 1.517 -1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.578 -0.820 -5.364 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.538 -0.678 -1.624 1.00 0.00 H new ATOM 0 HH TYR A 74 4.586 -2.814 -3.584 1.00 0.00 H new ATOM 1261 N ASP A 75 8.691 3.705 -4.627 1.00 0.00 N ATOM 1262 CA ASP A 75 9.358 3.578 -5.913 1.00 0.00 C ATOM 1263 C ASP A 75 10.840 3.278 -5.712 1.00 0.00 C ATOM 1264 O ASP A 75 11.413 2.441 -6.406 1.00 0.00 O ATOM 1265 CB ASP A 75 9.189 4.860 -6.729 1.00 0.00 C ATOM 1266 CG ASP A 75 8.946 4.582 -8.199 1.00 0.00 C ATOM 1267 OD1 ASP A 75 7.851 4.084 -8.535 1.00 0.00 O ATOM 1268 OD2 ASP A 75 9.849 4.862 -9.014 1.00 0.00 O ATOM 0 H ASP A 75 8.440 4.661 -4.376 1.00 0.00 H new ATOM 0 HA ASP A 75 8.902 2.752 -6.459 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.354 5.435 -6.328 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.082 5.476 -6.621 1.00 0.00 H new ATOM 1273 N GLN A 76 11.455 3.972 -4.756 1.00 0.00 N ATOM 1274 CA GLN A 76 12.872 3.779 -4.462 1.00 0.00 C ATOM 1275 C GLN A 76 13.140 2.387 -3.894 1.00 0.00 C ATOM 1276 O GLN A 76 14.241 1.853 -4.029 1.00 0.00 O ATOM 1277 CB GLN A 76 13.356 4.844 -3.476 1.00 0.00 C ATOM 1278 CG GLN A 76 13.491 6.227 -4.090 1.00 0.00 C ATOM 1279 CD GLN A 76 13.058 7.331 -3.146 1.00 0.00 C ATOM 1280 OE1 GLN A 76 11.866 7.603 -2.996 1.00 0.00 O ATOM 1281 NE2 GLN A 76 14.026 7.972 -2.501 1.00 0.00 N ATOM 0 H GLN A 76 10.995 4.671 -4.173 1.00 0.00 H new ATOM 0 HA GLN A 76 13.422 3.875 -5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.660 4.894 -2.638 1.00 0.00 H new ATOM 0 HB3 GLN A 76 14.321 4.540 -3.071 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.528 6.391 -4.382 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.892 6.276 -4.999 1.00 0.00 H new ATOM 0 HE21 GLN A 76 15.000 7.713 -2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.795 8.723 -1.851 1.00 0.00 H new ATOM 1290 N LEU A 77 12.134 1.810 -3.243 1.00 0.00 N ATOM 1291 CA LEU A 77 12.270 0.488 -2.639 1.00 0.00 C ATOM 1292 C LEU A 77 11.944 -0.627 -3.630 1.00 0.00 C ATOM 1293 O LEU A 77 12.459 -1.739 -3.513 1.00 0.00 O ATOM 1294 CB LEU A 77 11.362 0.371 -1.413 1.00 0.00 C ATOM 1295 CG LEU A 77 11.618 1.408 -0.318 1.00 0.00 C ATOM 1296 CD1 LEU A 77 10.325 1.754 0.404 1.00 0.00 C ATOM 1297 CD2 LEU A 77 12.660 0.899 0.665 1.00 0.00 C ATOM 0 H LEU A 77 11.216 2.237 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 77 13.311 0.374 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.325 0.456 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.481 -0.624 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 77 12.001 2.315 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.528 2.493 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.609 2.163 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.911 0.855 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.829 1.650 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.305 -0.022 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.594 0.704 0.137 1.00 0.00 H new ATOM 1398 N ARG B 103 -5.478 7.002 5.603 1.00 0.00 N ATOM 1399 CA ARG B 103 -6.902 6.845 5.871 1.00 0.00 C ATOM 1400 C ARG B 103 -7.465 5.637 5.128 1.00 0.00 C ATOM 1401 O ARG B 103 -8.175 4.815 5.707 1.00 0.00 O ATOM 1402 CB ARG B 103 -7.662 8.107 5.463 1.00 0.00 C ATOM 1403 CG ARG B 103 -9.066 8.185 6.040 1.00 0.00 C ATOM 1404 CD ARG B 103 -9.083 8.929 7.366 1.00 0.00 C ATOM 1405 NE ARG B 103 -8.802 8.042 8.493 1.00 0.00 N ATOM 1406 CZ ARG B 103 -9.059 8.354 9.762 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -9.605 9.523 10.069 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -8.773 7.489 10.727 1.00 0.00 N ATOM 0 HA ARG B 103 -7.029 6.683 6.941 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -7.097 8.982 5.785 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -7.722 8.149 4.375 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -9.724 8.687 5.331 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -9.459 7.178 6.181 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -8.345 9.730 7.342 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -10.057 9.397 7.507 1.00 0.00 H new ATOM 0 HE ARG B 103 -8.385 7.132 8.296 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -9.831 10.190 9.331 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -9.799 9.755 11.043 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -8.357 6.587 10.496 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -8.969 7.726 11.699 1.00 0.00 H new ATOM 1422 N TYR B 104 -7.146 5.537 3.841 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.621 4.430 3.019 1.00 0.00 C ATOM 1424 C TYR B 104 -7.138 3.094 3.575 1.00 0.00 C ATOM 1425 O TYR B 104 -7.857 2.094 3.529 1.00 0.00 O ATOM 1426 CB TYR B 104 -7.145 4.599 1.576 1.00 0.00 C ATOM 1427 CG TYR B 104 -7.927 5.634 0.799 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -9.316 5.607 0.773 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -7.277 6.638 0.092 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -10.034 6.551 0.065 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -7.988 7.586 -0.618 1.00 0.00 C ATOM 1432 CZ TYR B 104 -9.366 7.538 -0.629 1.00 0.00 C ATOM 1433 OH TYR B 104 -10.079 8.481 -1.335 1.00 0.00 O ATOM 0 H TYR B 104 -6.561 6.209 3.345 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.711 4.437 3.037 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -6.092 4.879 1.580 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -7.218 3.640 1.063 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -9.843 4.836 1.315 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -6.198 6.678 0.098 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -11.113 6.516 0.055 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -7.467 8.361 -1.162 1.00 0.00 H new ATOM 0 HH TYR B 104 -9.458 9.105 -1.766 1.00 0.00 H new ATOM 1443 N LEU B 105 -5.917 3.083 4.101 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.339 1.869 4.667 1.00 0.00 C ATOM 1445 C LEU B 105 -6.232 1.312 5.774 1.00 0.00 C ATOM 1446 O LEU B 105 -6.597 0.137 5.757 1.00 0.00 O ATOM 1447 CB LEU B 105 -3.938 2.153 5.212 1.00 0.00 C ATOM 1448 CG LEU B 105 -2.791 1.540 4.402 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -2.069 2.612 3.601 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -1.818 0.811 5.316 1.00 0.00 C ATOM 0 H LEU B 105 -5.309 3.901 4.147 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.265 1.123 3.876 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.794 3.233 5.257 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -3.880 1.780 6.235 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.214 0.816 3.705 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -1.258 2.157 3.033 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -2.770 3.088 2.915 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.661 3.361 4.280 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.011 0.383 4.721 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -1.403 1.513 6.039 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -2.342 0.014 5.844 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.581 2.165 6.730 1.00 0.00 N ATOM 1463 CA ARG B 106 -7.435 1.763 7.840 1.00 0.00 C ATOM 1464 C ARG B 106 -8.790 1.280 7.334 1.00 0.00 C ATOM 1465 O ARG B 106 -9.409 0.401 7.932 1.00 0.00 O ATOM 1466 CB ARG B 106 -7.627 2.929 8.813 1.00 0.00 C ATOM 1467 CG ARG B 106 -8.265 2.522 10.131 1.00 0.00 C ATOM 1468 CD ARG B 106 -8.262 3.669 11.128 1.00 0.00 C ATOM 1469 NE ARG B 106 -7.159 3.564 12.081 1.00 0.00 N ATOM 1470 CZ ARG B 106 -7.102 4.236 13.228 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -8.084 5.063 13.570 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -6.063 4.083 14.036 1.00 0.00 N ATOM 0 H ARG B 106 -6.285 3.141 6.758 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.947 0.940 8.363 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -6.659 3.387 9.014 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -8.247 3.689 8.338 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -9.290 2.194 9.955 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -7.726 1.672 10.550 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -8.189 4.615 10.592 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -9.208 3.682 11.669 1.00 0.00 H new ATOM 0 HE ARG B 106 -6.387 2.938 11.853 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -8.886 5.185 12.952 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -8.036 5.576 14.450 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -5.306 3.450 13.779 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -6.020 4.599 14.915 1.00 0.00 H new ATOM 1486 N GLU B 107 -9.245 1.860 6.228 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.529 1.487 5.642 1.00 0.00 C ATOM 1488 C GLU B 107 -10.545 0.007 5.270 1.00 0.00 C ATOM 1489 O GLU B 107 -11.387 -0.753 5.749 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.815 2.343 4.405 1.00 0.00 C ATOM 1491 CG GLU B 107 -12.155 3.058 4.458 1.00 0.00 C ATOM 1492 CD GLU B 107 -13.327 2.116 4.271 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -13.265 1.266 3.357 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -14.307 2.226 5.037 1.00 0.00 O ATOM 0 H GLU B 107 -8.745 2.589 5.720 1.00 0.00 H new ATOM 0 HA GLU B 107 -11.308 1.664 6.384 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -10.022 3.082 4.294 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -10.786 1.708 3.519 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -12.253 3.568 5.417 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -12.184 3.826 3.685 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.608 -0.397 4.419 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.515 -1.787 3.990 1.00 0.00 C ATOM 1503 C ALA B 108 -9.018 -2.675 5.126 1.00 0.00 C ATOM 1504 O ALA B 108 -9.544 -3.765 5.355 1.00 0.00 O ATOM 1505 CB ALA B 108 -8.596 -1.909 2.783 1.00 0.00 C ATOM 0 H ALA B 108 -8.903 0.218 4.013 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.513 -2.122 3.706 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -8.537 -2.953 2.475 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -8.991 -1.310 1.963 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -7.600 -1.552 3.046 1.00 0.00 H new ATOM 1511 N ILE B 109 -8.006 -2.194 5.838 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.433 -2.931 6.957 1.00 0.00 C ATOM 1513 C ILE B 109 -8.507 -3.264 7.990 1.00 0.00 C ATOM 1514 O ILE B 109 -8.696 -4.427 8.353 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.295 -2.122 7.625 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.084 -2.051 6.695 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -5.899 -2.731 8.963 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -4.027 -1.070 7.153 1.00 0.00 C ATOM 0 H ILE B 109 -7.564 -1.292 5.659 1.00 0.00 H new ATOM 0 HA ILE B 109 -7.018 -3.861 6.567 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.661 -1.112 7.811 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.638 -3.042 6.616 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.419 -1.772 5.696 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -5.098 -2.141 9.408 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -6.761 -2.735 9.630 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.555 -3.754 8.810 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.198 -1.072 6.446 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.457 -0.070 7.205 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.664 -1.360 8.139 1.00 0.00 H new ATOM 1530 N GLN B 110 -9.212 -2.240 8.455 1.00 0.00 N ATOM 1531 CA GLN B 110 -10.270 -2.431 9.438 1.00 0.00 C ATOM 1532 C GLN B 110 -11.381 -3.297 8.864 1.00 0.00 C ATOM 1533 O GLN B 110 -11.993 -4.092 9.580 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.833 -1.083 9.892 1.00 0.00 C ATOM 1535 CG GLN B 110 -11.824 -1.193 11.039 1.00 0.00 C ATOM 1536 CD GLN B 110 -11.511 -0.240 12.176 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -11.409 -0.650 13.334 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -11.357 1.038 11.853 1.00 0.00 N ATOM 0 H GLN B 110 -9.071 -1.272 8.168 1.00 0.00 H new ATOM 0 HA GLN B 110 -9.844 -2.938 10.303 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -10.008 -0.438 10.196 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -11.321 -0.599 9.046 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -12.828 -0.991 10.667 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -11.824 -2.215 11.417 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -11.450 1.333 10.881 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -11.145 1.725 12.577 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.631 -3.156 7.565 1.00 0.00 N ATOM 1548 CA GLU B 111 -12.660 -3.947 6.904 1.00 0.00 C ATOM 1549 C GLU B 111 -12.423 -5.425 7.171 1.00 0.00 C ATOM 1550 O GLU B 111 -13.344 -6.165 7.517 1.00 0.00 O ATOM 1551 CB GLU B 111 -12.667 -3.674 5.397 1.00 0.00 C ATOM 1552 CG GLU B 111 -14.058 -3.473 4.822 1.00 0.00 C ATOM 1553 CD GLU B 111 -14.713 -2.196 5.312 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -15.258 -2.203 6.437 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -14.681 -1.190 4.573 1.00 0.00 O ATOM 0 H GLU B 111 -11.138 -2.505 6.954 1.00 0.00 H new ATOM 0 HA GLU B 111 -13.632 -3.663 7.306 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -12.067 -2.787 5.194 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -12.187 -4.507 4.883 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -13.998 -3.452 3.734 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -14.684 -4.324 5.090 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.171 -5.840 7.031 1.00 0.00 N ATOM 1563 CA TYR B 112 -10.800 -7.223 7.284 1.00 0.00 C ATOM 1564 C TYR B 112 -10.908 -7.517 8.771 1.00 0.00 C ATOM 1565 O TYR B 112 -11.273 -8.623 9.171 1.00 0.00 O ATOM 1566 CB TYR B 112 -9.381 -7.501 6.788 1.00 0.00 C ATOM 1567 CG TYR B 112 -9.031 -8.973 6.748 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -9.351 -9.751 5.644 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -8.382 -9.581 7.815 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -9.034 -11.096 5.603 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -8.062 -10.925 7.782 1.00 0.00 C ATOM 1572 CZ TYR B 112 -8.390 -11.678 6.675 1.00 0.00 C ATOM 1573 OH TYR B 112 -8.072 -13.018 6.637 1.00 0.00 O ATOM 0 H TYR B 112 -10.398 -5.239 6.744 1.00 0.00 H new ATOM 0 HA TYR B 112 -11.483 -7.876 6.740 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.266 -7.081 5.789 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -8.671 -6.985 7.434 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -9.856 -9.298 4.803 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -8.123 -8.994 8.684 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -9.289 -11.688 4.736 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -7.557 -11.383 8.620 1.00 0.00 H new ATOM 0 HH TYR B 112 -7.621 -13.271 7.469 1.00 0.00 H new ATOM 1583 N ASP B 113 -10.610 -6.513 9.591 1.00 0.00 N ATOM 1584 CA ASP B 113 -10.701 -6.664 11.035 1.00 0.00 C ATOM 1585 C ASP B 113 -12.130 -7.019 11.428 1.00 0.00 C ATOM 1586 O ASP B 113 -12.363 -7.718 12.415 1.00 0.00 O ATOM 1587 CB ASP B 113 -10.266 -5.379 11.740 1.00 0.00 C ATOM 1588 CG ASP B 113 -9.516 -5.652 13.030 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -8.930 -6.749 13.155 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -9.516 -4.770 13.914 1.00 0.00 O ATOM 0 H ASP B 113 -10.305 -5.591 9.279 1.00 0.00 H new ATOM 0 HA ASP B 113 -10.033 -7.468 11.344 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -9.632 -4.797 11.071 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -11.145 -4.771 11.956 1.00 0.00 H new ATOM 1595 N ASN B 114 -13.086 -6.538 10.634 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.495 -6.808 10.883 1.00 0.00 C ATOM 1597 C ASN B 114 -14.887 -8.174 10.332 1.00 0.00 C ATOM 1598 O ASN B 114 -15.716 -8.874 10.913 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.365 -5.716 10.253 1.00 0.00 C ATOM 1600 CG ASN B 114 -16.192 -4.969 11.281 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -15.656 -4.232 12.108 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -17.504 -5.158 11.236 1.00 0.00 N ATOM 0 H ASN B 114 -12.907 -5.959 9.813 1.00 0.00 H new ATOM 0 HA ASN B 114 -14.658 -6.810 11.961 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -14.728 -5.010 9.721 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -16.029 -6.165 9.514 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -18.111 -4.683 11.904 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -17.906 -5.778 10.533 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.282 -8.553 9.208 1.00 0.00 N ATOM 1610 CA ILE B 115 -14.571 -9.838 8.585 1.00 0.00 C ATOM 1611 C ILE B 115 -14.145 -10.990 9.491 1.00 0.00 C ATOM 1612 O ILE B 115 -14.783 -12.043 9.516 1.00 0.00 O ATOM 1613 CB ILE B 115 -13.863 -9.973 7.220 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -14.314 -8.853 6.277 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -14.143 -11.337 6.601 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -13.309 -8.537 5.192 1.00 0.00 C ATOM 0 H ILE B 115 -13.591 -7.989 8.713 1.00 0.00 H new ATOM 0 HA ILE B 115 -15.649 -9.884 8.427 1.00 0.00 H new ATOM 0 HB ILE B 115 -12.788 -9.885 7.378 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -15.259 -9.137 5.814 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -14.503 -7.952 6.860 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -13.635 -11.411 5.640 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -13.778 -12.120 7.266 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -15.216 -11.457 6.454 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -13.694 -7.735 4.562 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -12.370 -8.222 5.647 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -13.138 -9.426 4.584 1.00 0.00 H new