USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=14 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 -141:sc= -0.394 USER MOD Set 1.2: A 70 HIS : no HD1:sc= -3.26 K(o=-3.7,f=-12!) USER MOD Single : A 4 LYS NZ :NH3+ -138:sc= 0.154 (180deg=-1.28) USER MOD Single : A 11 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.025) USER MOD Single : A 12 LYS NZ :NH3+ -161:sc= 0.445 (180deg=0.276) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 143:sc= 1.17 (180deg=0.23) USER MOD Single : A 25 TYR OH : rot 165:sc= 0 USER MOD Single : A 27 TYR OH : rot -85:sc= 0.0695 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.966 X(o=-0.97,f=-1.2) 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 138:sc= -2.3 (180deg=-6.02!) USER MOD Single : A 47 LYS NZ :NH3+ -103:sc= 1.43 (180deg=-0.201) USER MOD Single : A 51 ASN : amide:sc= -0.273 X(o=-0.27,f=0) 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 : amide:sc= -0.89 K(o=-0.89,f=-3.2!) USER MOD Single : A 74 TYR OH : rot -98:sc= -3.26! USER MOD Single : A 76 GLN : amide:sc= -0.0687 K(o=-0.069,f=-0.59) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 ASN : amide:sc= -0.0706 X(o=-0.071,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -15.833 3.285 2.533 1.00 0.00 N ATOM 33 CA ARG A 3 -16.377 1.933 2.468 1.00 0.00 C ATOM 34 C ARG A 3 -16.036 1.274 1.136 1.00 0.00 C ATOM 35 O ARG A 3 -15.535 0.151 1.098 1.00 0.00 O ATOM 36 CB ARG A 3 -17.894 1.964 2.664 1.00 0.00 C ATOM 37 CG ARG A 3 -18.331 1.666 4.089 1.00 0.00 C ATOM 38 CD ARG A 3 -19.806 1.301 4.155 1.00 0.00 C ATOM 39 NE ARG A 3 -20.361 1.502 5.492 1.00 0.00 N ATOM 40 CZ ARG A 3 -21.607 1.180 5.832 1.00 0.00 C ATOM 41 NH1 ARG A 3 -22.429 0.642 4.940 1.00 0.00 N ATOM 42 NH2 ARG A 3 -22.033 1.397 7.069 1.00 0.00 N ATOM 0 HA ARG A 3 -15.926 1.345 3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.269 2.946 2.376 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.353 1.238 1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.734 0.847 4.490 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -18.142 2.536 4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -20.361 1.905 3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -19.935 0.259 3.862 1.00 0.00 H new ATOM 0 HE ARG A 3 -19.759 1.913 6.206 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -22.107 0.473 3.987 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -23.383 0.398 5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -21.406 1.810 7.759 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -22.988 1.151 7.330 1.00 0.00 H new ATOM 56 N LYS A 4 -16.311 1.981 0.045 1.00 0.00 N ATOM 57 CA LYS A 4 -16.033 1.467 -1.291 1.00 0.00 C ATOM 58 C LYS A 4 -14.541 1.227 -1.482 1.00 0.00 C ATOM 59 O LYS A 4 -14.138 0.315 -2.203 1.00 0.00 O ATOM 60 CB LYS A 4 -16.554 2.436 -2.356 1.00 0.00 C ATOM 61 CG LYS A 4 -17.713 1.882 -3.167 1.00 0.00 C ATOM 62 CD LYS A 4 -17.475 2.037 -4.661 1.00 0.00 C ATOM 63 CE LYS A 4 -16.326 1.163 -5.134 1.00 0.00 C ATOM 64 NZ LYS A 4 -15.971 1.433 -6.556 1.00 0.00 N ATOM 0 H LYS A 4 -16.727 2.912 0.060 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.550 0.514 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.869 3.360 -1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.738 2.693 -3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.854 0.828 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.632 2.398 -2.889 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.382 1.773 -5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.258 3.080 -4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.454 1.337 -4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -16.598 0.114 -5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.792 0.533 -7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.757 1.931 -7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.116 2.024 -6.594 1.00 0.00 H new ATOM 78 N VAL A 5 -13.721 2.045 -0.826 1.00 0.00 N ATOM 79 CA VAL A 5 -12.275 1.904 -0.928 1.00 0.00 C ATOM 80 C VAL A 5 -11.860 0.472 -0.614 1.00 0.00 C ATOM 81 O VAL A 5 -10.939 -0.070 -1.223 1.00 0.00 O ATOM 82 CB VAL A 5 -11.542 2.863 0.032 1.00 0.00 C ATOM 83 CG1 VAL A 5 -10.038 2.789 -0.182 1.00 0.00 C ATOM 84 CG2 VAL A 5 -12.046 4.289 -0.147 1.00 0.00 C ATOM 0 H VAL A 5 -14.032 2.806 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.996 2.156 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.754 2.554 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.539 3.473 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.694 1.772 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.802 3.069 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.517 4.951 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.868 4.612 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.115 4.326 0.065 1.00 0.00 H new ATOM 94 N ALA A 6 -12.566 -0.138 0.332 1.00 0.00 N ATOM 95 CA ALA A 6 -12.292 -1.514 0.722 1.00 0.00 C ATOM 96 C ALA A 6 -12.760 -2.482 -0.358 1.00 0.00 C ATOM 97 O ALA A 6 -12.100 -3.482 -0.637 1.00 0.00 O ATOM 98 CB ALA A 6 -12.962 -1.831 2.049 1.00 0.00 C ATOM 0 H ALA A 6 -13.333 0.300 0.843 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.215 -1.630 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.748 -2.863 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.580 -1.161 2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.040 -1.697 1.954 1.00 0.00 H new ATOM 104 N ARG A 7 -13.904 -2.175 -0.962 1.00 0.00 N ATOM 105 CA ARG A 7 -14.461 -3.019 -2.015 1.00 0.00 C ATOM 106 C ARG A 7 -13.589 -2.980 -3.262 1.00 0.00 C ATOM 107 O ARG A 7 -13.408 -3.992 -3.937 1.00 0.00 O ATOM 108 CB ARG A 7 -15.884 -2.574 -2.357 1.00 0.00 C ATOM 109 CG ARG A 7 -16.927 -3.044 -1.355 1.00 0.00 C ATOM 110 CD ARG A 7 -17.576 -1.876 -0.631 1.00 0.00 C ATOM 111 NE ARG A 7 -18.287 -2.304 0.572 1.00 0.00 N ATOM 112 CZ ARG A 7 -19.462 -2.928 0.557 1.00 0.00 C ATOM 113 NH1 ARG A 7 -20.062 -3.199 -0.596 1.00 0.00 N ATOM 114 NH2 ARG A 7 -20.040 -3.281 1.696 1.00 0.00 N ATOM 0 H ARG A 7 -14.462 -1.350 -0.741 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.489 -4.044 -1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -15.912 -1.486 -2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.146 -2.952 -3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -17.693 -3.623 -1.871 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.460 -3.709 -0.628 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -16.812 -1.147 -0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -18.271 -1.374 -1.304 1.00 0.00 H new ATOM 0 HE ARG A 7 -17.857 -2.113 1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -19.622 -2.929 -1.476 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -20.963 -3.678 -0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -19.584 -3.074 2.585 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.941 -3.759 1.684 1.00 0.00 H new ATOM 128 N GLU A 8 -13.046 -1.807 -3.562 1.00 0.00 N ATOM 129 CA GLU A 8 -12.189 -1.641 -4.728 1.00 0.00 C ATOM 130 C GLU A 8 -10.863 -2.362 -4.524 1.00 0.00 C ATOM 131 O GLU A 8 -10.429 -3.138 -5.375 1.00 0.00 O ATOM 132 CB GLU A 8 -11.944 -0.158 -5.005 1.00 0.00 C ATOM 133 CG GLU A 8 -13.076 0.513 -5.766 1.00 0.00 C ATOM 134 CD GLU A 8 -12.595 1.260 -6.995 1.00 0.00 C ATOM 135 OE1 GLU A 8 -11.646 0.777 -7.648 1.00 0.00 O ATOM 136 OE2 GLU A 8 -13.167 2.327 -7.304 1.00 0.00 O ATOM 0 H GLU A 8 -13.184 -0.958 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.695 -2.079 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.796 0.361 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.021 -0.051 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.803 -0.241 -6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.592 1.207 -5.103 1.00 0.00 H new ATOM 143 N PHE A 9 -10.228 -2.112 -3.384 1.00 0.00 N ATOM 144 CA PHE A 9 -8.958 -2.751 -3.069 1.00 0.00 C ATOM 145 C PHE A 9 -9.150 -4.252 -2.903 1.00 0.00 C ATOM 146 O PHE A 9 -8.325 -5.049 -3.352 1.00 0.00 O ATOM 147 CB PHE A 9 -8.360 -2.154 -1.792 1.00 0.00 C ATOM 148 CG PHE A 9 -7.004 -2.705 -1.452 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.881 -3.869 -0.712 1.00 0.00 C ATOM 150 CD2 PHE A 9 -5.853 -2.056 -1.872 1.00 0.00 C ATOM 151 CE1 PHE A 9 -5.634 -4.378 -0.398 1.00 0.00 C ATOM 152 CE2 PHE A 9 -4.605 -2.560 -1.561 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.495 -3.723 -0.824 1.00 0.00 C ATOM 0 H PHE A 9 -10.571 -1.474 -2.666 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.268 -2.572 -3.894 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.286 -1.072 -1.906 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.039 -2.341 -0.960 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.768 -4.385 -0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.933 -1.146 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.551 -5.287 0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.716 -2.045 -1.894 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.520 -4.119 -0.581 1.00 0.00 H new ATOM 163 N ARG A 10 -10.252 -4.633 -2.262 1.00 0.00 N ATOM 164 CA ARG A 10 -10.560 -6.040 -2.043 1.00 0.00 C ATOM 165 C ARG A 10 -10.936 -6.718 -3.356 1.00 0.00 C ATOM 166 O ARG A 10 -10.529 -7.848 -3.621 1.00 0.00 O ATOM 167 CB ARG A 10 -11.699 -6.188 -1.034 1.00 0.00 C ATOM 168 CG ARG A 10 -11.911 -7.618 -0.561 1.00 0.00 C ATOM 169 CD ARG A 10 -13.382 -8.003 -0.579 1.00 0.00 C ATOM 170 NE ARG A 10 -13.631 -9.246 0.148 1.00 0.00 N ATOM 171 CZ ARG A 10 -14.725 -9.989 -0.004 1.00 0.00 C ATOM 172 NH1 ARG A 10 -15.674 -9.618 -0.854 1.00 0.00 N ATOM 173 NH2 ARG A 10 -14.871 -11.105 0.695 1.00 0.00 N ATOM 0 H ARG A 10 -10.945 -3.986 -1.886 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.670 -6.524 -1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.493 -5.555 -0.171 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.622 -5.822 -1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.348 -8.300 -1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.518 -7.729 0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.972 -7.200 -0.137 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.715 -8.113 -1.611 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.924 -9.563 0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.567 -8.760 -1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.510 -10.191 -0.967 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.145 -11.395 1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.709 -11.674 0.578 1.00 0.00 H new ATOM 187 N HIS A 11 -11.716 -6.019 -4.177 1.00 0.00 N ATOM 188 CA HIS A 11 -12.142 -6.560 -5.462 1.00 0.00 C ATOM 189 C HIS A 11 -10.946 -6.778 -6.383 1.00 0.00 C ATOM 190 O HIS A 11 -10.796 -7.846 -6.975 1.00 0.00 O ATOM 191 CB HIS A 11 -13.154 -5.622 -6.126 1.00 0.00 C ATOM 192 CG HIS A 11 -13.661 -6.120 -7.444 1.00 0.00 C ATOM 193 ND1 HIS A 11 -14.316 -5.315 -8.351 1.00 0.00 N ATOM 194 CD2 HIS A 11 -13.605 -7.351 -8.007 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.642 -6.029 -9.415 1.00 0.00 C ATOM 196 NE2 HIS A 11 -14.222 -7.266 -9.230 1.00 0.00 N ATOM 0 H HIS A 11 -12.064 -5.082 -3.976 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.618 -7.524 -5.283 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -13.999 -5.478 -5.453 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.691 -4.646 -6.270 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.158 -8.234 -7.574 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.163 -5.662 -10.287 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -14.337 -8.035 -9.890 1.00 0.00 H new ATOM 205 N LYS A 12 -10.095 -5.764 -6.494 1.00 0.00 N ATOM 206 CA LYS A 12 -8.910 -5.857 -7.339 1.00 0.00 C ATOM 207 C LYS A 12 -8.023 -7.009 -6.881 1.00 0.00 C ATOM 208 O LYS A 12 -7.680 -7.895 -7.664 1.00 0.00 O ATOM 209 CB LYS A 12 -8.125 -4.544 -7.302 1.00 0.00 C ATOM 210 CG LYS A 12 -8.516 -3.570 -8.402 1.00 0.00 C ATOM 211 CD LYS A 12 -9.905 -2.995 -8.170 1.00 0.00 C ATOM 212 CE LYS A 12 -10.441 -2.311 -9.417 1.00 0.00 C ATOM 213 NZ LYS A 12 -11.842 -1.844 -9.235 1.00 0.00 N ATOM 0 H LYS A 12 -10.203 -4.872 -6.012 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.230 -6.045 -8.364 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.278 -4.066 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.061 -4.764 -7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.789 -2.760 -8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.488 -4.078 -9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.585 -3.793 -7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.871 -2.280 -7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.805 -1.462 -9.667 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.395 -3.002 -10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.278 -1.683 -10.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.384 -2.566 -8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.844 -0.956 -8.693 1.00 0.00 H new ATOM 227 N VAL A 13 -7.668 -6.999 -5.600 1.00 0.00 N ATOM 228 CA VAL A 13 -6.834 -8.048 -5.029 1.00 0.00 C ATOM 229 C VAL A 13 -7.431 -9.421 -5.313 1.00 0.00 C ATOM 230 O VAL A 13 -6.708 -10.383 -5.562 1.00 0.00 O ATOM 231 CB VAL A 13 -6.660 -7.867 -3.506 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.812 -8.988 -2.920 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.046 -6.512 -3.197 1.00 0.00 C ATOM 0 H VAL A 13 -7.946 -6.275 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.853 -7.975 -5.499 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.646 -7.912 -3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.703 -8.839 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.297 -9.946 -3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.828 -8.983 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.931 -6.402 -2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.070 -6.437 -3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.697 -5.723 -3.575 1.00 0.00 H new ATOM 243 N ASP A 14 -8.755 -9.503 -5.276 1.00 0.00 N ATOM 244 CA ASP A 14 -9.444 -10.759 -5.533 1.00 0.00 C ATOM 245 C ASP A 14 -9.336 -11.151 -7.005 1.00 0.00 C ATOM 246 O ASP A 14 -9.327 -12.334 -7.339 1.00 0.00 O ATOM 247 CB ASP A 14 -10.915 -10.649 -5.130 1.00 0.00 C ATOM 248 CG ASP A 14 -11.529 -11.997 -4.808 1.00 0.00 C ATOM 249 OD1 ASP A 14 -11.336 -12.943 -5.601 1.00 0.00 O ATOM 250 OD2 ASP A 14 -12.204 -12.108 -3.762 1.00 0.00 O ATOM 0 H ASP A 14 -9.371 -8.716 -5.071 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.966 -11.534 -4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.003 -9.996 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.476 -10.181 -5.939 1.00 0.00 H new ATOM 255 N PHE A 15 -9.254 -10.152 -7.880 1.00 0.00 N ATOM 256 CA PHE A 15 -9.147 -10.403 -9.313 1.00 0.00 C ATOM 257 C PHE A 15 -7.789 -10.996 -9.662 1.00 0.00 C ATOM 258 O PHE A 15 -7.665 -11.790 -10.595 1.00 0.00 O ATOM 259 CB PHE A 15 -9.368 -9.110 -10.098 1.00 0.00 C ATOM 260 CG PHE A 15 -9.377 -9.307 -11.589 1.00 0.00 C ATOM 261 CD1 PHE A 15 -10.384 -10.040 -12.196 1.00 0.00 C ATOM 262 CD2 PHE A 15 -8.378 -8.761 -12.379 1.00 0.00 C ATOM 263 CE1 PHE A 15 -10.395 -10.224 -13.566 1.00 0.00 C ATOM 264 CE2 PHE A 15 -8.385 -8.943 -13.749 1.00 0.00 C ATOM 265 CZ PHE A 15 -9.394 -9.676 -14.344 1.00 0.00 C ATOM 0 H PHE A 15 -9.260 -9.165 -7.622 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.919 -11.122 -9.587 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.316 -8.666 -9.792 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.584 -8.398 -9.838 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.169 -10.472 -11.592 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.586 -8.188 -11.920 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.186 -10.796 -14.028 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.602 -8.512 -14.355 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.400 -9.820 -15.414 1.00 0.00 H new ATOM 275 N LEU A 16 -6.772 -10.590 -8.913 1.00 0.00 N ATOM 276 CA LEU A 16 -5.412 -11.062 -9.144 1.00 0.00 C ATOM 277 C LEU A 16 -5.119 -12.319 -8.332 1.00 0.00 C ATOM 278 O LEU A 16 -4.547 -13.283 -8.842 1.00 0.00 O ATOM 279 CB LEU A 16 -4.406 -9.962 -8.792 1.00 0.00 C ATOM 280 CG LEU A 16 -4.907 -8.529 -8.997 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.152 -7.565 -8.096 1.00 0.00 C ATOM 282 CD2 LEU A 16 -4.763 -8.119 -10.456 1.00 0.00 C ATOM 0 H LEU A 16 -6.863 -9.933 -8.138 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.316 -11.312 -10.201 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.112 -10.081 -7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.509 -10.106 -9.395 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.963 -8.492 -8.730 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.522 -6.552 -8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.304 -7.846 -7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.088 -7.604 -8.331 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.123 -7.098 -10.584 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.714 -8.173 -10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.348 -8.792 -11.083 1.00 0.00 H new ATOM 294 N ILE A 17 -5.515 -12.299 -7.067 1.00 0.00 N ATOM 295 CA ILE A 17 -5.300 -13.433 -6.177 1.00 0.00 C ATOM 296 C ILE A 17 -6.420 -14.453 -6.317 1.00 0.00 C ATOM 297 O ILE A 17 -6.198 -15.575 -6.775 1.00 0.00 O ATOM 298 CB ILE A 17 -5.174 -12.962 -4.705 1.00 0.00 C ATOM 299 CG1 ILE A 17 -3.824 -12.293 -4.489 1.00 0.00 C ATOM 300 CG2 ILE A 17 -5.326 -14.120 -3.727 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.774 -10.852 -4.946 1.00 0.00 C ATOM 0 H ILE A 17 -5.989 -11.507 -6.632 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.364 -13.913 -6.465 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.978 -12.251 -4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.573 -12.337 -3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.060 -12.859 -5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.232 -13.749 -2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.306 -14.580 -3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.550 -14.861 -3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.780 -10.445 -4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.992 -10.801 -6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.514 -10.270 -4.396 1.00 0.00 H new ATOM 313 N GLU A 18 -7.620 -14.061 -5.922 1.00 0.00 N ATOM 314 CA GLU A 18 -8.779 -14.934 -6.000 1.00 0.00 C ATOM 315 C GLU A 18 -8.613 -16.180 -5.139 1.00 0.00 C ATOM 316 O GLU A 18 -9.470 -17.063 -5.119 1.00 0.00 O ATOM 317 CB GLU A 18 -9.059 -15.322 -7.445 1.00 0.00 C ATOM 318 CG GLU A 18 -10.267 -16.215 -7.578 1.00 0.00 C ATOM 319 CD GLU A 18 -10.792 -16.292 -8.999 1.00 0.00 C ATOM 320 OE1 GLU A 18 -11.037 -15.226 -9.600 1.00 0.00 O ATOM 321 OE2 GLU A 18 -10.957 -17.421 -9.510 1.00 0.00 O ATOM 0 H GLU A 18 -7.817 -13.136 -5.541 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.631 -14.377 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.211 -14.420 -8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.188 -15.831 -7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.010 -17.218 -7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.058 -15.848 -6.924 1.00 0.00 H new ATOM 328 N ASN A 19 -7.512 -16.230 -4.428 1.00 0.00 N ATOM 329 CA ASN A 19 -7.207 -17.347 -3.548 1.00 0.00 C ATOM 330 C ASN A 19 -7.456 -16.969 -2.091 1.00 0.00 C ATOM 331 O ASN A 19 -7.945 -15.878 -1.801 1.00 0.00 O ATOM 332 CB ASN A 19 -5.753 -17.792 -3.736 1.00 0.00 C ATOM 333 CG ASN A 19 -5.640 -19.094 -4.503 1.00 0.00 C ATOM 334 OD1 ASN A 19 -5.302 -20.134 -3.937 1.00 0.00 O ATOM 335 ND2 ASN A 19 -5.924 -19.044 -5.799 1.00 0.00 N ATOM 0 H ASN A 19 -6.799 -15.501 -4.439 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.865 -18.176 -3.808 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.203 -17.013 -4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.282 -17.907 -2.760 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.866 -19.889 -6.367 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.200 -18.160 -6.227 1.00 0.00 H new ATOM 342 N ASP A 20 -7.117 -17.873 -1.180 1.00 0.00 N ATOM 343 CA ASP A 20 -7.308 -17.629 0.243 1.00 0.00 C ATOM 344 C ASP A 20 -5.969 -17.451 0.952 1.00 0.00 C ATOM 345 O ASP A 20 -5.776 -16.496 1.703 1.00 0.00 O ATOM 346 CB ASP A 20 -8.089 -18.778 0.881 1.00 0.00 C ATOM 347 CG ASP A 20 -8.857 -18.341 2.114 1.00 0.00 C ATOM 348 OD1 ASP A 20 -8.239 -17.736 3.014 1.00 0.00 O ATOM 349 OD2 ASP A 20 -10.077 -18.601 2.177 1.00 0.00 O ATOM 0 H ASP A 20 -6.709 -18.781 -1.402 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.880 -16.708 0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.785 -19.191 0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.399 -19.577 1.151 1.00 0.00 H new ATOM 354 N ALA A 21 -5.048 -18.376 0.707 1.00 0.00 N ATOM 355 CA ALA A 21 -3.727 -18.319 1.324 1.00 0.00 C ATOM 356 C ALA A 21 -3.015 -17.019 0.974 1.00 0.00 C ATOM 357 O ALA A 21 -2.361 -16.411 1.821 1.00 0.00 O ATOM 358 CB ALA A 21 -2.892 -19.517 0.898 1.00 0.00 C ATOM 0 H ALA A 21 -5.191 -19.173 0.087 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.856 -18.350 2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.909 -19.461 1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.389 -20.436 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.778 -19.514 -0.186 1.00 0.00 H new ATOM 364 N GLU A 22 -3.149 -16.599 -0.277 1.00 0.00 N ATOM 365 CA GLU A 22 -2.519 -15.367 -0.738 1.00 0.00 C ATOM 366 C GLU A 22 -3.169 -14.156 -0.080 1.00 0.00 C ATOM 367 O GLU A 22 -2.482 -13.263 0.411 1.00 0.00 O ATOM 368 CB GLU A 22 -2.612 -15.255 -2.260 1.00 0.00 C ATOM 369 CG GLU A 22 -1.469 -15.941 -2.991 1.00 0.00 C ATOM 370 CD GLU A 22 -1.741 -16.104 -4.473 1.00 0.00 C ATOM 371 OE1 GLU A 22 -1.976 -15.081 -5.150 1.00 0.00 O ATOM 372 OE2 GLU A 22 -1.715 -17.255 -4.958 1.00 0.00 O ATOM 0 H GLU A 22 -3.687 -17.091 -0.990 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.467 -15.394 -0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.556 -15.688 -2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.630 -14.201 -2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.556 -15.362 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.295 -16.921 -2.547 1.00 0.00 H new ATOM 379 N LYS A 23 -4.498 -14.140 -0.062 1.00 0.00 N ATOM 380 CA LYS A 23 -5.233 -13.042 0.551 1.00 0.00 C ATOM 381 C LYS A 23 -4.931 -12.980 2.040 1.00 0.00 C ATOM 382 O LYS A 23 -4.895 -11.903 2.632 1.00 0.00 O ATOM 383 CB LYS A 23 -6.736 -13.208 0.322 1.00 0.00 C ATOM 384 CG LYS A 23 -7.467 -11.894 0.099 1.00 0.00 C ATOM 385 CD LYS A 23 -8.966 -12.107 -0.042 1.00 0.00 C ATOM 386 CE LYS A 23 -9.371 -12.274 -1.497 1.00 0.00 C ATOM 387 NZ LYS A 23 -10.607 -13.095 -1.637 1.00 0.00 N ATOM 0 H LYS A 23 -5.085 -14.872 -0.463 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.915 -12.108 0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.894 -13.853 -0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.172 -13.715 1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.271 -11.221 0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.081 -11.410 -0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.264 -12.990 0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.497 -11.259 0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.534 -11.293 -1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.557 -12.745 -2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.188 -12.718 -2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.348 -14.080 -1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.149 -13.061 -0.750 1.00 0.00 H new ATOM 401 N ASP A 24 -4.701 -14.145 2.638 1.00 0.00 N ATOM 402 CA ASP A 24 -4.383 -14.219 4.055 1.00 0.00 C ATOM 403 C ASP A 24 -3.086 -13.472 4.338 1.00 0.00 C ATOM 404 O ASP A 24 -3.030 -12.610 5.214 1.00 0.00 O ATOM 405 CB ASP A 24 -4.259 -15.677 4.500 1.00 0.00 C ATOM 406 CG ASP A 24 -4.181 -15.816 6.008 1.00 0.00 C ATOM 407 OD1 ASP A 24 -4.590 -14.871 6.714 1.00 0.00 O ATOM 408 OD2 ASP A 24 -3.712 -16.872 6.483 1.00 0.00 O ATOM 0 H ASP A 24 -4.729 -15.047 2.163 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.191 -13.753 4.618 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.115 -16.241 4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.369 -16.117 4.051 1.00 0.00 H new ATOM 413 N TYR A 25 -2.045 -13.807 3.580 1.00 0.00 N ATOM 414 CA TYR A 25 -0.750 -13.161 3.741 1.00 0.00 C ATOM 415 C TYR A 25 -0.819 -11.699 3.330 1.00 0.00 C ATOM 416 O TYR A 25 -0.322 -10.827 4.042 1.00 0.00 O ATOM 417 CB TYR A 25 0.321 -13.893 2.930 1.00 0.00 C ATOM 418 CG TYR A 25 1.722 -13.375 3.165 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.377 -13.606 4.368 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.390 -12.655 2.182 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.658 -13.135 4.583 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.671 -12.182 2.390 1.00 0.00 C ATOM 423 CZ TYR A 25 4.301 -12.425 3.592 1.00 0.00 C ATOM 424 OH TYR A 25 5.578 -11.956 3.804 1.00 0.00 O ATOM 0 H TYR A 25 -2.075 -14.520 2.851 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.478 -13.207 4.796 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.289 -14.954 3.177 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.084 -13.806 1.870 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.877 -14.162 5.147 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.899 -12.462 1.239 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.154 -13.322 5.524 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.176 -11.625 1.615 1.00 0.00 H new ATOM 0 HH TYR A 25 5.976 -11.693 2.948 1.00 0.00 H new ATOM 434 N LEU A 26 -1.456 -11.424 2.195 1.00 0.00 N ATOM 435 CA LEU A 26 -1.592 -10.048 1.738 1.00 0.00 C ATOM 436 C LEU A 26 -2.292 -9.247 2.818 1.00 0.00 C ATOM 437 O LEU A 26 -1.873 -8.143 3.160 1.00 0.00 O ATOM 438 CB LEU A 26 -2.373 -9.974 0.424 1.00 0.00 C ATOM 439 CG LEU A 26 -2.062 -8.753 -0.440 1.00 0.00 C ATOM 440 CD1 LEU A 26 -2.935 -8.740 -1.685 1.00 0.00 C ATOM 441 CD2 LEU A 26 -2.252 -7.471 0.359 1.00 0.00 C ATOM 0 H LEU A 26 -1.879 -12.124 1.585 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.602 -9.633 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.167 -10.874 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.439 -9.979 0.651 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.020 -8.812 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.698 -7.863 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.749 -9.641 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.985 -8.707 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.026 -6.612 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.284 -7.407 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.582 -7.475 1.219 1.00 0.00 H new ATOM 453 N TYR A 27 -3.332 -9.843 3.389 1.00 0.00 N ATOM 454 CA TYR A 27 -4.050 -9.206 4.476 1.00 0.00 C ATOM 455 C TYR A 27 -3.079 -8.975 5.628 1.00 0.00 C ATOM 456 O TYR A 27 -3.169 -7.978 6.346 1.00 0.00 O ATOM 457 CB TYR A 27 -5.225 -10.073 4.937 1.00 0.00 C ATOM 458 CG TYR A 27 -6.547 -9.680 4.317 1.00 0.00 C ATOM 459 CD1 TYR A 27 -7.038 -8.387 4.445 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.306 -10.602 3.606 1.00 0.00 C ATOM 461 CE1 TYR A 27 -8.246 -8.024 3.880 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.515 -10.246 3.039 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.980 -8.955 3.178 1.00 0.00 C ATOM 464 OH TYR A 27 -10.183 -8.597 2.615 1.00 0.00 O ATOM 0 H TYR A 27 -3.691 -10.758 3.118 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.457 -8.254 4.134 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.015 -11.114 4.694 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.309 -10.010 6.022 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.467 -7.654 4.995 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.945 -11.614 3.495 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.613 -7.014 3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.093 -10.975 2.490 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.894 -8.678 3.284 1.00 0.00 H new ATOM 474 N ASP A 28 -2.127 -9.902 5.778 1.00 0.00 N ATOM 475 CA ASP A 28 -1.118 -9.793 6.818 1.00 0.00 C ATOM 476 C ASP A 28 -0.123 -8.689 6.472 1.00 0.00 C ATOM 477 O ASP A 28 0.385 -8.002 7.356 1.00 0.00 O ATOM 478 CB ASP A 28 -0.384 -11.125 6.992 1.00 0.00 C ATOM 479 CG ASP A 28 0.375 -11.202 8.301 1.00 0.00 C ATOM 480 OD1 ASP A 28 0.987 -10.185 8.692 1.00 0.00 O ATOM 481 OD2 ASP A 28 0.356 -12.277 8.937 1.00 0.00 O ATOM 0 H ASP A 28 -2.040 -10.731 5.190 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.613 -9.542 7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.104 -11.942 6.945 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.311 -11.264 6.164 1.00 0.00 H new ATOM 486 N VAL A 29 0.144 -8.515 5.175 1.00 0.00 N ATOM 487 CA VAL A 29 1.070 -7.482 4.729 1.00 0.00 C ATOM 488 C VAL A 29 0.549 -6.101 5.111 1.00 0.00 C ATOM 489 O VAL A 29 1.286 -5.275 5.647 1.00 0.00 O ATOM 490 CB VAL A 29 1.297 -7.540 3.204 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.260 -6.448 2.761 1.00 0.00 C ATOM 492 CG2 VAL A 29 1.816 -8.910 2.794 1.00 0.00 C ATOM 0 H VAL A 29 -0.265 -9.072 4.425 1.00 0.00 H new ATOM 0 HA VAL A 29 2.023 -7.665 5.225 1.00 0.00 H new ATOM 0 HB VAL A 29 0.341 -7.372 2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.406 -6.507 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.847 -5.473 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.218 -6.581 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.970 -8.933 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.761 -9.107 3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.089 -9.673 3.073 1.00 0.00 H new ATOM 502 N LEU A 30 -0.731 -5.863 4.842 1.00 0.00 N ATOM 503 CA LEU A 30 -1.351 -4.586 5.171 1.00 0.00 C ATOM 504 C LEU A 30 -1.323 -4.362 6.676 1.00 0.00 C ATOM 505 O LEU A 30 -0.962 -3.283 7.152 1.00 0.00 O ATOM 506 CB LEU A 30 -2.793 -4.543 4.659 1.00 0.00 C ATOM 507 CG LEU A 30 -2.941 -4.590 3.139 1.00 0.00 C ATOM 508 CD1 LEU A 30 -4.235 -5.286 2.748 1.00 0.00 C ATOM 509 CD2 LEU A 30 -2.892 -3.184 2.557 1.00 0.00 C ATOM 0 H LEU A 30 -1.357 -6.536 4.399 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.786 -3.791 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.340 -5.382 5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.266 -3.633 5.027 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.109 -5.162 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.322 -5.309 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.231 -6.306 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.082 -4.743 3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.999 -3.235 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.704 -2.589 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.938 -2.720 2.806 1.00 0.00 H new ATOM 521 N ARG A 31 -1.695 -5.396 7.421 1.00 0.00 N ATOM 522 CA ARG A 31 -1.703 -5.328 8.877 1.00 0.00 C ATOM 523 C ARG A 31 -0.329 -4.924 9.397 1.00 0.00 C ATOM 524 O ARG A 31 -0.212 -4.249 10.419 1.00 0.00 O ATOM 525 CB ARG A 31 -2.115 -6.678 9.470 1.00 0.00 C ATOM 526 CG ARG A 31 -3.038 -6.556 10.671 1.00 0.00 C ATOM 527 CD ARG A 31 -3.462 -7.921 11.189 1.00 0.00 C ATOM 528 NE ARG A 31 -2.400 -8.572 11.952 1.00 0.00 N ATOM 529 CZ ARG A 31 -2.012 -8.180 13.164 1.00 0.00 C ATOM 530 NH1 ARG A 31 -2.597 -7.145 13.753 1.00 0.00 N ATOM 531 NH2 ARG A 31 -1.038 -8.827 13.788 1.00 0.00 N ATOM 0 H ARG A 31 -1.996 -6.293 7.040 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.428 -4.574 9.184 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.611 -7.268 8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.219 -7.225 9.764 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.533 -6.005 11.465 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.921 -5.980 10.395 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.345 -7.811 11.818 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.746 -8.555 10.349 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.928 -9.373 11.532 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.348 -6.645 13.277 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.296 -6.849 14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.586 -9.624 13.340 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.740 -8.528 14.716 1.00 0.00 H new ATOM 545 N MET A 32 0.711 -5.336 8.676 1.00 0.00 N ATOM 546 CA MET A 32 2.079 -5.009 9.055 1.00 0.00 C ATOM 547 C MET A 32 2.357 -3.529 8.821 1.00 0.00 C ATOM 548 O MET A 32 2.831 -2.827 9.714 1.00 0.00 O ATOM 549 CB MET A 32 3.070 -5.864 8.259 1.00 0.00 C ATOM 550 CG MET A 32 3.624 -7.040 9.044 1.00 0.00 C ATOM 551 SD MET A 32 4.962 -6.566 10.155 1.00 0.00 S ATOM 552 CE MET A 32 4.879 -7.881 11.368 1.00 0.00 C ATOM 0 H MET A 32 0.630 -5.896 7.827 1.00 0.00 H new ATOM 0 HA MET A 32 2.204 -5.223 10.116 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.576 -6.237 7.362 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.897 -5.235 7.930 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.821 -7.496 9.623 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.986 -7.798 8.349 1.00 0.00 H new ATOM 0 HE1 MET A 32 5.648 -7.727 12.125 1.00 0.00 H new ATOM 0 HE2 MET A 32 3.898 -7.877 11.842 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.041 -8.840 10.876 1.00 0.00 H new ATOM 562 N TYR A 33 2.050 -3.057 7.616 1.00 0.00 N ATOM 563 CA TYR A 33 2.261 -1.658 7.266 1.00 0.00 C ATOM 564 C TYR A 33 1.530 -0.738 8.239 1.00 0.00 C ATOM 565 O TYR A 33 1.906 0.419 8.417 1.00 0.00 O ATOM 566 CB TYR A 33 1.783 -1.385 5.839 1.00 0.00 C ATOM 567 CG TYR A 33 2.437 -0.180 5.202 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.818 -0.029 5.211 1.00 0.00 C ATOM 569 CD2 TYR A 33 1.674 0.808 4.594 1.00 0.00 C ATOM 570 CE1 TYR A 33 4.418 1.071 4.630 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.267 1.912 4.011 1.00 0.00 C ATOM 572 CZ TYR A 33 3.641 2.039 4.032 1.00 0.00 C ATOM 573 OH TYR A 33 4.235 3.135 3.453 1.00 0.00 O ATOM 0 H TYR A 33 1.654 -3.624 6.866 1.00 0.00 H new ATOM 0 HA TYR A 33 3.330 -1.454 7.329 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.981 -2.263 5.224 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.703 -1.239 5.848 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.432 -0.784 5.680 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.598 0.712 4.576 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.493 1.172 4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.659 2.671 3.542 1.00 0.00 H new ATOM 0 HH TYR A 33 3.698 3.934 3.637 1.00 0.00 H new ATOM 583 N HIS A 34 0.484 -1.258 8.869 1.00 0.00 N ATOM 584 CA HIS A 34 -0.288 -0.476 9.825 1.00 0.00 C ATOM 585 C HIS A 34 0.389 -0.467 11.194 1.00 0.00 C ATOM 586 O HIS A 34 0.462 0.567 11.855 1.00 0.00 O ATOM 587 CB HIS A 34 -1.705 -1.038 9.948 1.00 0.00 C ATOM 588 CG HIS A 34 -2.712 -0.023 10.392 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.950 0.272 11.718 1.00 0.00 N ATOM 590 CD2 HIS A 34 -3.547 0.769 9.678 1.00 0.00 C ATOM 591 CE1 HIS A 34 -3.887 1.201 11.799 1.00 0.00 C ATOM 592 NE2 HIS A 34 -4.264 1.520 10.575 1.00 0.00 N ATOM 0 H HIS A 34 0.152 -2.213 8.736 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.341 0.549 9.459 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.011 -1.445 8.984 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.699 -1.866 10.656 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -2.477 -0.159 12.512 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.633 0.803 8.602 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.278 1.627 12.712 1.00 0.00 H new ATOM 601 N GLN A 35 0.876 -1.632 11.613 1.00 0.00 N ATOM 602 CA GLN A 35 1.537 -1.765 12.907 1.00 0.00 C ATOM 603 C GLN A 35 2.974 -1.247 12.870 1.00 0.00 C ATOM 604 O GLN A 35 3.326 -0.310 13.586 1.00 0.00 O ATOM 605 CB GLN A 35 1.522 -3.228 13.357 1.00 0.00 C ATOM 606 CG GLN A 35 0.551 -3.503 14.493 1.00 0.00 C ATOM 607 CD GLN A 35 1.191 -4.265 15.638 1.00 0.00 C ATOM 608 OE1 GLN A 35 1.480 -3.698 16.692 1.00 0.00 O ATOM 609 NE2 GLN A 35 1.417 -5.558 15.434 1.00 0.00 N ATOM 0 H GLN A 35 0.825 -2.497 11.075 1.00 0.00 H new ATOM 0 HA GLN A 35 0.984 -1.156 13.622 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.262 -3.859 12.507 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.526 -3.514 13.671 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.157 -2.557 14.866 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.296 -4.073 14.111 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.161 -5.986 14.544 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.846 -6.123 16.167 1.00 0.00 H new ATOM 618 N THR A 36 3.804 -1.882 12.051 1.00 0.00 N ATOM 619 CA THR A 36 5.211 -1.504 11.938 1.00 0.00 C ATOM 620 C THR A 36 5.398 -0.236 11.108 1.00 0.00 C ATOM 621 O THR A 36 6.284 0.570 11.391 1.00 0.00 O ATOM 622 CB THR A 36 6.021 -2.651 11.330 1.00 0.00 C ATOM 623 OG1 THR A 36 7.385 -2.289 11.206 1.00 0.00 O ATOM 624 CG2 THR A 36 5.535 -3.079 9.962 1.00 0.00 C ATOM 0 H THR A 36 3.529 -2.662 11.454 1.00 0.00 H new ATOM 0 HA THR A 36 5.574 -1.297 12.945 1.00 0.00 H new ATOM 0 HB THR A 36 5.891 -3.487 12.017 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.887 -3.035 10.817 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.156 -3.895 9.594 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.500 -3.414 10.032 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.598 -2.236 9.273 1.00 0.00 H new ATOM 632 N MET A 37 4.572 -0.066 10.082 1.00 0.00 N ATOM 633 CA MET A 37 4.665 1.108 9.218 1.00 0.00 C ATOM 634 C MET A 37 6.027 1.170 8.532 1.00 0.00 C ATOM 635 O MET A 37 6.724 2.181 8.601 1.00 0.00 O ATOM 636 CB MET A 37 4.427 2.384 10.029 1.00 0.00 C ATOM 637 CG MET A 37 2.969 2.611 10.393 1.00 0.00 C ATOM 638 SD MET A 37 2.101 3.629 9.185 1.00 0.00 S ATOM 639 CE MET A 37 0.471 2.889 9.229 1.00 0.00 C ATOM 0 H MET A 37 3.833 -0.722 9.828 1.00 0.00 H new ATOM 0 HA MET A 37 3.896 1.027 8.450 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.018 2.339 10.944 1.00 0.00 H new ATOM 0 HB3 MET A 37 4.788 3.240 9.458 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.466 1.648 10.479 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.913 3.088 11.371 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.285 3.674 9.212 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.342 2.242 8.361 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.363 2.300 10.140 1.00 0.00 H new ATOM 649 N ASP A 38 6.397 0.079 7.867 1.00 0.00 N ATOM 650 CA ASP A 38 7.673 0.008 7.165 1.00 0.00 C ATOM 651 C ASP A 38 7.465 -0.289 5.684 1.00 0.00 C ATOM 652 O ASP A 38 7.033 -1.381 5.314 1.00 0.00 O ATOM 653 CB ASP A 38 8.567 -1.065 7.792 1.00 0.00 C ATOM 654 CG ASP A 38 10.024 -0.650 7.835 1.00 0.00 C ATOM 655 OD1 ASP A 38 10.718 -0.813 6.810 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.471 -0.163 8.895 1.00 0.00 O ATOM 0 H ASP A 38 5.831 -0.767 7.800 1.00 0.00 H new ATOM 0 HA ASP A 38 8.162 0.978 7.257 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.222 -1.276 8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.472 -1.990 7.224 1.00 0.00 H new ATOM 661 N VAL A 39 7.781 0.689 4.841 1.00 0.00 N ATOM 662 CA VAL A 39 7.633 0.533 3.399 1.00 0.00 C ATOM 663 C VAL A 39 8.440 -0.657 2.887 1.00 0.00 C ATOM 664 O VAL A 39 8.139 -1.215 1.832 1.00 0.00 O ATOM 665 CB VAL A 39 8.074 1.802 2.646 1.00 0.00 C ATOM 666 CG1 VAL A 39 7.699 1.710 1.176 1.00 0.00 C ATOM 667 CG2 VAL A 39 7.465 3.041 3.284 1.00 0.00 C ATOM 0 H VAL A 39 8.141 1.598 5.132 1.00 0.00 H new ATOM 0 HA VAL A 39 6.574 0.358 3.209 1.00 0.00 H new ATOM 0 HB VAL A 39 9.159 1.883 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.019 2.616 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.190 0.846 0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.618 1.602 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.788 3.927 2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.378 2.970 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.792 3.114 4.321 1.00 0.00 H new ATOM 677 N ALA A 40 9.461 -1.047 3.647 1.00 0.00 N ATOM 678 CA ALA A 40 10.301 -2.174 3.271 1.00 0.00 C ATOM 679 C ALA A 40 9.552 -3.481 3.479 1.00 0.00 C ATOM 680 O ALA A 40 9.798 -4.469 2.786 1.00 0.00 O ATOM 681 CB ALA A 40 11.592 -2.164 4.075 1.00 0.00 C ATOM 0 H ALA A 40 9.724 -0.598 4.525 1.00 0.00 H new ATOM 0 HA ALA A 40 10.554 -2.084 2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.210 -3.013 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.134 -1.238 3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.359 -2.234 5.138 1.00 0.00 H new ATOM 687 N VAL A 41 8.630 -3.475 4.434 1.00 0.00 N ATOM 688 CA VAL A 41 7.837 -4.654 4.731 1.00 0.00 C ATOM 689 C VAL A 41 6.782 -4.874 3.653 1.00 0.00 C ATOM 690 O VAL A 41 6.659 -5.969 3.102 1.00 0.00 O ATOM 691 CB VAL A 41 7.156 -4.544 6.111 1.00 0.00 C ATOM 692 CG1 VAL A 41 6.245 -5.738 6.365 1.00 0.00 C ATOM 693 CG2 VAL A 41 8.200 -4.423 7.210 1.00 0.00 C ATOM 0 H VAL A 41 8.415 -2.664 5.015 1.00 0.00 H new ATOM 0 HA VAL A 41 8.515 -5.507 4.751 1.00 0.00 H new ATOM 0 HB VAL A 41 6.541 -3.644 6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.777 -5.637 7.344 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.473 -5.777 5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.832 -6.656 6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.703 -4.346 8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.842 -5.304 7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.805 -3.532 7.041 1.00 0.00 H new ATOM 703 N LEU A 42 6.027 -3.821 3.349 1.00 0.00 N ATOM 704 CA LEU A 42 4.988 -3.895 2.329 1.00 0.00 C ATOM 705 C LEU A 42 5.572 -4.356 0.997 1.00 0.00 C ATOM 706 O LEU A 42 5.018 -5.231 0.334 1.00 0.00 O ATOM 707 CB LEU A 42 4.314 -2.532 2.164 1.00 0.00 C ATOM 708 CG LEU A 42 2.818 -2.514 2.469 1.00 0.00 C ATOM 709 CD1 LEU A 42 2.268 -1.100 2.362 1.00 0.00 C ATOM 710 CD2 LEU A 42 2.072 -3.450 1.532 1.00 0.00 C ATOM 0 H LEU A 42 6.116 -2.908 3.795 1.00 0.00 H new ATOM 0 HA LEU A 42 4.243 -4.623 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.812 -1.815 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.466 -2.189 1.140 1.00 0.00 H new ATOM 0 HG LEU A 42 2.671 -2.862 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.201 -1.107 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.782 -0.455 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.427 -0.723 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.007 -3.424 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.227 -3.132 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.446 -4.466 1.658 1.00 0.00 H new ATOM 722 N VAL A 43 6.697 -3.759 0.612 1.00 0.00 N ATOM 723 CA VAL A 43 7.355 -4.109 -0.640 1.00 0.00 C ATOM 724 C VAL A 43 7.873 -5.543 -0.603 1.00 0.00 C ATOM 725 O VAL A 43 7.704 -6.298 -1.559 1.00 0.00 O ATOM 726 CB VAL A 43 8.526 -3.157 -0.948 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.114 -3.454 -2.318 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.074 -1.706 -0.858 1.00 0.00 C ATOM 0 H VAL A 43 7.170 -3.032 1.149 1.00 0.00 H new ATOM 0 HA VAL A 43 6.608 -4.015 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 43 9.304 -3.319 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.940 -2.770 -2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.479 -4.481 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.345 -3.324 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.915 -1.049 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.276 -1.528 -1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.707 -1.501 0.148 1.00 0.00 H new ATOM 738 N GLY A 44 8.505 -5.914 0.507 1.00 0.00 N ATOM 739 CA GLY A 44 9.036 -7.259 0.642 1.00 0.00 C ATOM 740 C GLY A 44 7.969 -8.323 0.472 1.00 0.00 C ATOM 741 O GLY A 44 8.093 -9.210 -0.373 1.00 0.00 O ATOM 0 H GLY A 44 8.659 -5.309 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.820 -7.413 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.499 -7.367 1.623 1.00 0.00 H new ATOM 745 N ASP A 45 6.918 -8.234 1.279 1.00 0.00 N ATOM 746 CA ASP A 45 5.824 -9.194 1.219 1.00 0.00 C ATOM 747 C ASP A 45 5.145 -9.160 -0.147 1.00 0.00 C ATOM 748 O ASP A 45 4.894 -10.203 -0.756 1.00 0.00 O ATOM 749 CB ASP A 45 4.799 -8.902 2.316 1.00 0.00 C ATOM 750 CG ASP A 45 5.446 -8.651 3.665 1.00 0.00 C ATOM 751 OD1 ASP A 45 6.671 -8.862 3.786 1.00 0.00 O ATOM 752 OD2 ASP A 45 4.726 -8.243 4.601 1.00 0.00 O ATOM 0 H ASP A 45 6.801 -7.505 1.983 1.00 0.00 H new ATOM 0 HA ASP A 45 6.240 -10.189 1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.207 -8.031 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.110 -9.743 2.398 1.00 0.00 H new ATOM 757 N LEU A 46 4.848 -7.954 -0.624 1.00 0.00 N ATOM 758 CA LEU A 46 4.196 -7.786 -1.918 1.00 0.00 C ATOM 759 C LEU A 46 4.921 -8.573 -3.006 1.00 0.00 C ATOM 760 O LEU A 46 4.289 -9.220 -3.834 1.00 0.00 O ATOM 761 CB LEU A 46 4.124 -6.303 -2.294 1.00 0.00 C ATOM 762 CG LEU A 46 2.830 -5.592 -1.886 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.923 -4.104 -2.184 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.630 -6.202 -2.597 1.00 0.00 C ATOM 0 H LEU A 46 5.048 -7.082 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 46 3.182 -8.177 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.965 -5.786 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.246 -6.211 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 46 2.694 -5.723 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.995 -3.615 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.754 -3.673 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.086 -3.956 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.723 -5.681 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.758 -6.106 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.549 -7.257 -2.334 1.00 0.00 H new ATOM 776 N LYS A 47 6.250 -8.524 -2.990 1.00 0.00 N ATOM 777 CA LYS A 47 7.045 -9.248 -3.976 1.00 0.00 C ATOM 778 C LYS A 47 6.851 -10.753 -3.812 1.00 0.00 C ATOM 779 O LYS A 47 6.555 -11.463 -4.777 1.00 0.00 O ATOM 780 CB LYS A 47 8.528 -8.894 -3.836 1.00 0.00 C ATOM 781 CG LYS A 47 8.856 -7.466 -4.238 1.00 0.00 C ATOM 782 CD LYS A 47 8.447 -7.181 -5.673 1.00 0.00 C ATOM 783 CE LYS A 47 9.394 -6.195 -6.339 1.00 0.00 C ATOM 784 NZ LYS A 47 8.662 -5.116 -7.058 1.00 0.00 N ATOM 0 H LYS A 47 6.796 -7.994 -2.310 1.00 0.00 H new ATOM 0 HA LYS A 47 6.708 -8.954 -4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.833 -9.050 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.115 -9.578 -4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.346 -6.773 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.926 -7.291 -4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.432 -8.112 -6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.433 -6.781 -5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.044 -5.751 -5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.036 -6.727 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.679 -5.307 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.676 -5.086 -6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.119 -4.201 -6.869 1.00 0.00 H new ATOM 798 N LEU A 48 7.007 -11.229 -2.580 1.00 0.00 N ATOM 799 CA LEU A 48 6.842 -12.648 -2.280 1.00 0.00 C ATOM 800 C LEU A 48 5.505 -13.159 -2.810 1.00 0.00 C ATOM 801 O LEU A 48 5.357 -14.343 -3.114 1.00 0.00 O ATOM 802 CB LEU A 48 6.927 -12.888 -0.771 1.00 0.00 C ATOM 803 CG LEU A 48 8.346 -13.021 -0.216 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.415 -12.486 1.206 1.00 0.00 C ATOM 805 CD2 LEU A 48 8.800 -14.472 -0.264 1.00 0.00 C ATOM 0 H LEU A 48 7.247 -10.653 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 48 7.646 -13.194 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.429 -12.065 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.373 -13.795 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 48 9.017 -12.429 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.432 -12.589 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.130 -11.434 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.733 -13.051 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.812 -14.550 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.126 -15.084 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.788 -14.823 -1.296 1.00 0.00 H new ATOM 817 N VAL A 49 4.539 -12.253 -2.928 1.00 0.00 N ATOM 818 CA VAL A 49 3.220 -12.604 -3.433 1.00 0.00 C ATOM 819 C VAL A 49 3.095 -12.232 -4.904 1.00 0.00 C ATOM 820 O VAL A 49 2.327 -12.840 -5.648 1.00 0.00 O ATOM 821 CB VAL A 49 2.110 -11.895 -2.638 1.00 0.00 C ATOM 822 CG1 VAL A 49 0.736 -12.362 -3.098 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.291 -12.130 -1.148 1.00 0.00 C ATOM 0 H VAL A 49 4.647 -11.270 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 49 3.103 -13.681 -3.316 1.00 0.00 H new ATOM 0 HB VAL A 49 2.182 -10.824 -2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.034 -11.848 -2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.610 -12.135 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.647 -13.437 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.497 -11.622 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.248 -13.199 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.258 -11.738 -0.833 1.00 0.00 H new ATOM 833 N ILE A 50 3.860 -11.225 -5.315 1.00 0.00 N ATOM 834 CA ILE A 50 3.844 -10.764 -6.694 1.00 0.00 C ATOM 835 C ILE A 50 5.070 -11.251 -7.456 1.00 0.00 C ATOM 836 O ILE A 50 5.469 -10.666 -8.463 1.00 0.00 O ATOM 837 CB ILE A 50 3.777 -9.227 -6.774 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.627 -8.695 -5.919 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.617 -8.776 -8.214 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.923 -7.354 -5.287 1.00 0.00 C ATOM 0 H ILE A 50 4.500 -10.713 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 50 2.949 -11.183 -7.153 1.00 0.00 H new ATOM 0 HB ILE A 50 4.712 -8.822 -6.386 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.734 -8.608 -6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.403 -9.417 -5.134 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.571 -7.688 -8.251 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.467 -9.124 -8.801 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.697 -9.192 -8.626 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.066 -7.034 -4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.798 -7.441 -4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.119 -6.619 -6.068 1.00 0.00 H new ATOM 852 N ASN A 51 5.662 -12.331 -6.968 1.00 0.00 N ATOM 853 CA ASN A 51 6.843 -12.915 -7.599 1.00 0.00 C ATOM 854 C ASN A 51 6.658 -13.017 -9.113 1.00 0.00 C ATOM 855 O ASN A 51 7.622 -12.941 -9.875 1.00 0.00 O ATOM 856 CB ASN A 51 7.129 -14.300 -7.010 1.00 0.00 C ATOM 857 CG ASN A 51 8.525 -14.403 -6.429 1.00 0.00 C ATOM 858 OD1 ASN A 51 9.496 -14.632 -7.149 1.00 0.00 O ATOM 859 ND2 ASN A 51 8.632 -14.235 -5.115 1.00 0.00 N ATOM 0 H ASN A 51 5.345 -12.825 -6.134 1.00 0.00 H new ATOM 0 HA ASN A 51 7.693 -12.262 -7.400 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.397 -14.519 -6.232 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.005 -15.055 -7.786 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.546 -14.294 -4.666 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.800 -14.047 -4.556 1.00 0.00 H new ATOM 866 N GLU A 52 5.409 -13.182 -9.538 1.00 0.00 N ATOM 867 CA GLU A 52 5.089 -13.286 -10.958 1.00 0.00 C ATOM 868 C GLU A 52 4.508 -11.971 -11.477 1.00 0.00 C ATOM 869 O GLU A 52 3.780 -11.283 -10.762 1.00 0.00 O ATOM 870 CB GLU A 52 4.097 -14.425 -11.198 1.00 0.00 C ATOM 871 CG GLU A 52 4.764 -15.767 -11.464 1.00 0.00 C ATOM 872 CD GLU A 52 3.859 -16.732 -12.203 1.00 0.00 C ATOM 873 OE1 GLU A 52 2.622 -16.587 -12.094 1.00 0.00 O ATOM 874 OE2 GLU A 52 4.384 -17.630 -12.891 1.00 0.00 O ATOM 0 H GLU A 52 4.601 -13.247 -8.919 1.00 0.00 H new ATOM 0 HA GLU A 52 6.010 -13.499 -11.500 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.446 -14.518 -10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.462 -14.170 -12.046 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.672 -15.608 -12.046 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.067 -16.212 -10.516 1.00 0.00 H new ATOM 881 N PRO A 53 4.827 -11.600 -12.730 1.00 0.00 N ATOM 882 CA PRO A 53 4.333 -10.357 -13.335 1.00 0.00 C ATOM 883 C PRO A 53 2.808 -10.264 -13.328 1.00 0.00 C ATOM 884 O PRO A 53 2.244 -9.172 -13.396 1.00 0.00 O ATOM 885 CB PRO A 53 4.852 -10.424 -14.776 1.00 0.00 C ATOM 886 CG PRO A 53 6.015 -11.352 -14.722 1.00 0.00 C ATOM 887 CD PRO A 53 5.693 -12.356 -13.652 1.00 0.00 C ATOM 0 HA PRO A 53 4.674 -9.481 -12.783 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.084 -10.793 -15.456 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.149 -9.439 -15.135 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.168 -11.842 -15.684 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.934 -10.814 -14.488 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.183 -13.229 -14.059 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.593 -12.717 -13.154 1.00 0.00 H new ATOM 895 N SER A 54 2.147 -11.414 -13.251 1.00 0.00 N ATOM 896 CA SER A 54 0.688 -11.461 -13.243 1.00 0.00 C ATOM 897 C SER A 54 0.110 -10.628 -12.101 1.00 0.00 C ATOM 898 O SER A 54 -0.934 -9.992 -12.252 1.00 0.00 O ATOM 899 CB SER A 54 0.207 -12.908 -13.125 1.00 0.00 C ATOM 900 OG SER A 54 -0.986 -13.112 -13.860 1.00 0.00 O ATOM 0 H SER A 54 2.598 -12.327 -13.193 1.00 0.00 H new ATOM 0 HA SER A 54 0.336 -11.038 -14.184 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.982 -13.583 -13.489 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.038 -13.154 -12.077 1.00 0.00 H new ATOM 0 HG SER A 54 -1.271 -14.045 -13.769 1.00 0.00 H new ATOM 906 N ARG A 55 0.788 -10.641 -10.957 1.00 0.00 N ATOM 907 CA ARG A 55 0.335 -9.891 -9.790 1.00 0.00 C ATOM 908 C ARG A 55 0.871 -8.458 -9.790 1.00 0.00 C ATOM 909 O ARG A 55 0.893 -7.798 -8.753 1.00 0.00 O ATOM 910 CB ARG A 55 0.769 -10.606 -8.510 1.00 0.00 C ATOM 911 CG ARG A 55 -0.161 -11.738 -8.098 1.00 0.00 C ATOM 912 CD ARG A 55 0.604 -13.028 -7.846 1.00 0.00 C ATOM 913 NE ARG A 55 0.411 -13.998 -8.922 1.00 0.00 N ATOM 914 CZ ARG A 55 -0.664 -14.771 -9.039 1.00 0.00 C ATOM 915 NH1 ARG A 55 -1.648 -14.691 -8.150 1.00 0.00 N ATOM 916 NH2 ARG A 55 -0.760 -15.626 -10.048 1.00 0.00 N ATOM 0 H ARG A 55 1.653 -11.162 -10.813 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.753 -9.839 -9.833 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.774 -11.005 -8.650 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.825 -9.880 -7.699 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.703 -11.454 -7.196 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.904 -11.902 -8.879 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.666 -12.806 -7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.278 -13.464 -6.902 1.00 0.00 H new ATOM 0 HE ARG A 55 1.145 -14.087 -9.625 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.581 -14.034 -7.373 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.471 -15.287 -8.245 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.009 -15.691 -10.735 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.585 -16.219 -10.137 1.00 0.00 H new ATOM 930 N LEU A 56 1.303 -7.983 -10.954 1.00 0.00 N ATOM 931 CA LEU A 56 1.836 -6.629 -11.080 1.00 0.00 C ATOM 932 C LEU A 56 0.823 -5.576 -10.618 1.00 0.00 C ATOM 933 O LEU A 56 1.172 -4.655 -9.881 1.00 0.00 O ATOM 934 CB LEU A 56 2.247 -6.355 -12.527 1.00 0.00 C ATOM 935 CG LEU A 56 3.701 -6.697 -12.861 1.00 0.00 C ATOM 936 CD1 LEU A 56 3.939 -6.618 -14.361 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.650 -5.769 -12.118 1.00 0.00 C ATOM 0 H LEU A 56 1.295 -8.515 -11.824 1.00 0.00 H new ATOM 0 HA LEU A 56 2.711 -6.559 -10.434 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.594 -6.924 -13.189 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.078 -5.300 -12.743 1.00 0.00 H new ATOM 0 HG LEU A 56 3.897 -7.719 -12.538 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.978 -6.864 -14.578 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.284 -7.325 -14.871 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.725 -5.608 -14.711 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.680 -6.026 -12.367 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.453 -4.737 -12.410 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.498 -5.878 -11.044 1.00 0.00 H new ATOM 949 N PRO A 57 -0.448 -5.689 -11.051 1.00 0.00 N ATOM 950 CA PRO A 57 -1.500 -4.734 -10.685 1.00 0.00 C ATOM 951 C PRO A 57 -1.472 -4.335 -9.210 1.00 0.00 C ATOM 952 O PRO A 57 -1.917 -3.246 -8.850 1.00 0.00 O ATOM 953 CB PRO A 57 -2.778 -5.499 -11.009 1.00 0.00 C ATOM 954 CG PRO A 57 -2.403 -6.365 -12.162 1.00 0.00 C ATOM 955 CD PRO A 57 -0.963 -6.750 -11.945 1.00 0.00 C ATOM 0 HA PRO A 57 -1.391 -3.789 -11.218 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.114 -6.092 -10.158 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.593 -4.822 -11.267 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.040 -7.248 -12.209 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.526 -5.833 -13.105 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.876 -7.736 -11.488 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.412 -6.785 -12.885 1.00 0.00 H new ATOM 963 N LEU A 58 -0.955 -5.215 -8.358 1.00 0.00 N ATOM 964 CA LEU A 58 -0.883 -4.939 -6.926 1.00 0.00 C ATOM 965 C LEU A 58 -0.141 -3.632 -6.648 1.00 0.00 C ATOM 966 O LEU A 58 -0.494 -2.893 -5.731 1.00 0.00 O ATOM 967 CB LEU A 58 -0.198 -6.093 -6.192 1.00 0.00 C ATOM 968 CG LEU A 58 -1.145 -7.054 -5.470 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.367 -8.205 -4.852 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.943 -6.315 -4.406 1.00 0.00 C ATOM 0 H LEU A 58 -0.580 -6.123 -8.633 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.904 -4.837 -6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.393 -6.661 -6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.499 -5.678 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.843 -7.465 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.057 -8.878 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.160 -8.750 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.354 -7.813 -4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.611 -7.013 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.260 -5.877 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.530 -5.525 -4.875 1.00 0.00 H new ATOM 982 N PHE A 59 0.889 -3.357 -7.441 1.00 0.00 N ATOM 983 CA PHE A 59 1.680 -2.142 -7.268 1.00 0.00 C ATOM 984 C PHE A 59 0.840 -0.895 -7.536 1.00 0.00 C ATOM 985 O PHE A 59 0.804 0.029 -6.721 1.00 0.00 O ATOM 986 CB PHE A 59 2.889 -2.161 -8.204 1.00 0.00 C ATOM 987 CG PHE A 59 3.853 -3.278 -7.920 1.00 0.00 C ATOM 988 CD1 PHE A 59 4.644 -3.254 -6.783 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.968 -4.351 -8.788 1.00 0.00 C ATOM 990 CE1 PHE A 59 5.533 -4.279 -6.519 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.853 -5.378 -8.529 1.00 0.00 C ATOM 992 CZ PHE A 59 5.638 -5.343 -7.392 1.00 0.00 C ATOM 0 H PHE A 59 1.196 -3.956 -8.208 1.00 0.00 H new ATOM 0 HA PHE A 59 2.024 -2.110 -6.234 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.540 -2.247 -9.233 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.415 -1.210 -8.124 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.565 -2.425 -6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.358 -4.385 -9.678 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.145 -4.247 -5.630 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.932 -6.209 -9.215 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.331 -6.145 -7.187 1.00 0.00 H new ATOM 1002 N ASP A 60 0.163 -0.877 -8.679 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.676 0.255 -9.053 1.00 0.00 C ATOM 1004 C ASP A 60 -1.971 0.253 -8.252 1.00 0.00 C ATOM 1005 O ASP A 60 -2.563 1.300 -8.006 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.989 0.215 -10.549 1.00 0.00 C ATOM 1007 CG ASP A 60 -1.377 1.576 -11.096 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -0.656 2.557 -10.814 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -2.402 1.660 -11.804 1.00 0.00 O ATOM 0 H ASP A 60 0.179 -1.634 -9.363 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.129 1.171 -8.830 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.118 -0.156 -11.090 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.800 -0.490 -10.729 1.00 0.00 H new ATOM 1014 N ALA A 61 -2.407 -0.936 -7.860 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.631 -1.095 -7.091 1.00 0.00 C ATOM 1016 C ALA A 61 -3.501 -0.516 -5.683 1.00 0.00 C ATOM 1017 O ALA A 61 -4.365 0.233 -5.224 1.00 0.00 O ATOM 1018 CB ALA A 61 -4.006 -2.566 -7.025 1.00 0.00 C ATOM 0 H ALA A 61 -1.925 -1.811 -8.065 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.420 -0.538 -7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.924 -2.682 -6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.161 -2.948 -8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.203 -3.125 -6.545 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.427 -0.891 -4.992 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.187 -0.439 -3.622 1.00 0.00 C ATOM 1026 C ILE A 62 -1.718 1.016 -3.555 1.00 0.00 C ATOM 1027 O ILE A 62 -2.046 1.733 -2.613 1.00 0.00 O ATOM 1028 CB ILE A 62 -1.151 -1.332 -2.911 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.478 -2.812 -3.124 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -1.106 -1.009 -1.425 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.254 -3.704 -3.124 1.00 0.00 C ATOM 0 H ILE A 62 -1.705 -1.510 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.148 -0.513 -3.113 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.170 -1.131 -3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.159 -3.142 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.003 -2.928 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.370 -1.647 -0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.828 0.036 -1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.088 -1.184 -0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.558 -4.739 -3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.419 -3.399 -3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.260 -3.617 -2.167 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.929 1.437 -4.537 1.00 0.00 N ATOM 1044 CA ARG A 63 -0.392 2.800 -4.563 1.00 0.00 C ATOM 1045 C ARG A 63 -1.443 3.856 -4.188 1.00 0.00 C ATOM 1046 O ARG A 63 -1.211 4.679 -3.304 1.00 0.00 O ATOM 1047 CB ARG A 63 0.181 3.112 -5.948 1.00 0.00 C ATOM 1048 CG ARG A 63 1.563 3.744 -5.905 1.00 0.00 C ATOM 1049 CD ARG A 63 2.424 3.281 -7.070 1.00 0.00 C ATOM 1050 NE ARG A 63 1.839 3.642 -8.359 1.00 0.00 N ATOM 1051 CZ ARG A 63 2.400 3.359 -9.533 1.00 0.00 C ATOM 1052 NH1 ARG A 63 3.558 2.714 -9.585 1.00 0.00 N ATOM 1053 NH2 ARG A 63 1.800 3.722 -10.659 1.00 0.00 N ATOM 0 H ARG A 63 -0.645 0.857 -5.327 1.00 0.00 H new ATOM 0 HA ARG A 63 0.397 2.846 -3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.230 2.191 -6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.500 3.783 -6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.469 4.830 -5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.052 3.488 -4.965 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.417 3.723 -6.986 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.551 2.200 -7.020 1.00 0.00 H new ATOM 0 HE ARG A 63 0.949 4.140 -8.360 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.024 2.432 -8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.983 2.500 -10.487 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.909 4.218 -10.625 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.229 3.505 -11.558 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.605 3.859 -4.864 1.00 0.00 N ATOM 1068 CA PRO A 64 -3.671 4.833 -4.607 1.00 0.00 C ATOM 1069 C PRO A 64 -3.914 5.095 -3.122 1.00 0.00 C ATOM 1070 O PRO A 64 -3.883 6.244 -2.678 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.892 4.167 -5.235 1.00 0.00 C ATOM 1072 CG PRO A 64 -4.344 3.367 -6.365 1.00 0.00 C ATOM 1073 CD PRO A 64 -2.960 2.932 -5.952 1.00 0.00 C ATOM 0 HA PRO A 64 -3.426 5.814 -5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.412 3.533 -4.516 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.611 4.907 -5.586 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.976 2.503 -6.571 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.307 3.961 -7.278 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.952 1.896 -5.612 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.256 3.001 -6.781 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.152 4.036 -2.352 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.392 4.184 -0.919 1.00 0.00 C ATOM 1083 C LEU A 65 -3.095 4.488 -0.174 1.00 0.00 C ATOM 1084 O LEU A 65 -3.115 5.062 0.915 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.062 2.933 -0.342 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.256 1.638 -0.459 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -3.153 1.599 0.587 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -5.171 0.432 -0.314 1.00 0.00 C ATOM 0 H LEU A 65 -4.184 3.075 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.069 5.027 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.278 3.111 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.019 2.791 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.793 1.606 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.591 0.671 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.483 2.446 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.594 1.652 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.584 -0.482 -0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.659 0.460 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.927 0.452 -1.099 1.00 0.00 H new ATOM 1100 N ILE A 66 -1.970 4.100 -0.767 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.665 4.331 -0.160 1.00 0.00 C ATOM 1102 C ILE A 66 -0.328 5.824 -0.140 1.00 0.00 C ATOM 1103 O ILE A 66 -0.478 6.516 -1.148 1.00 0.00 O ATOM 1104 CB ILE A 66 0.444 3.558 -0.916 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.339 2.060 -0.627 1.00 0.00 C ATOM 1106 CG2 ILE A 66 1.829 4.071 -0.538 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.386 1.232 -1.342 1.00 0.00 C ATOM 0 H ILE A 66 -1.937 3.624 -1.668 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.712 3.965 0.866 1.00 0.00 H new ATOM 0 HB ILE A 66 0.301 3.724 -1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.430 1.898 0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.651 1.710 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.587 3.509 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.907 5.128 -0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.985 3.943 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.252 0.180 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.281 1.364 -2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.380 1.555 -1.032 1.00 0.00 H new ATOM 1119 N PRO A 67 0.148 6.340 1.011 1.00 0.00 N ATOM 1120 CA PRO A 67 0.519 7.752 1.156 1.00 0.00 C ATOM 1121 C PRO A 67 1.368 8.253 0.015 1.00 0.00 C ATOM 1122 O PRO A 67 2.260 7.568 -0.482 1.00 0.00 O ATOM 1123 CB PRO A 67 1.304 7.777 2.467 1.00 0.00 C ATOM 1124 CG PRO A 67 0.739 6.651 3.258 1.00 0.00 C ATOM 1125 CD PRO A 67 0.370 5.585 2.260 1.00 0.00 C ATOM 0 HA PRO A 67 -0.355 8.403 1.154 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.372 7.644 2.293 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.181 8.728 2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.467 6.276 3.978 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.134 6.973 3.826 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.166 4.849 2.147 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.525 5.043 2.565 1.00 0.00 H new ATOM 1133 N LEU A 68 1.060 9.468 -0.381 1.00 0.00 N ATOM 1134 CA LEU A 68 1.743 10.141 -1.456 1.00 0.00 C ATOM 1135 C LEU A 68 3.259 10.090 -1.280 1.00 0.00 C ATOM 1136 O LEU A 68 3.991 9.800 -2.225 1.00 0.00 O ATOM 1137 CB LEU A 68 1.247 11.574 -1.463 1.00 0.00 C ATOM 1138 CG LEU A 68 0.245 11.901 -2.563 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -0.154 13.367 -2.506 1.00 0.00 C ATOM 1140 CD2 LEU A 68 0.817 11.550 -3.928 1.00 0.00 C ATOM 0 H LEU A 68 0.316 10.022 0.043 1.00 0.00 H new ATOM 0 HA LEU A 68 1.531 9.649 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.788 11.789 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.105 12.239 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.650 11.299 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.870 13.580 -3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.609 13.583 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.730 13.990 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.087 11.790 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.729 12.123 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.046 10.485 -3.964 1.00 0.00 H new ATOM 1152 N LYS A 69 3.725 10.359 -0.065 1.00 0.00 N ATOM 1153 CA LYS A 69 5.155 10.322 0.222 1.00 0.00 C ATOM 1154 C LYS A 69 5.677 8.897 0.073 1.00 0.00 C ATOM 1155 O LYS A 69 6.666 8.649 -0.622 1.00 0.00 O ATOM 1156 CB LYS A 69 5.430 10.839 1.635 1.00 0.00 C ATOM 1157 CG LYS A 69 4.660 12.102 1.986 1.00 0.00 C ATOM 1158 CD LYS A 69 5.319 12.862 3.128 1.00 0.00 C ATOM 1159 CE LYS A 69 4.403 12.958 4.338 1.00 0.00 C ATOM 1160 NZ LYS A 69 4.606 11.824 5.281 1.00 0.00 N ATOM 0 H LYS A 69 3.138 10.604 0.732 1.00 0.00 H new ATOM 0 HA LYS A 69 5.672 10.967 -0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.177 10.059 2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.497 11.034 1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.597 12.746 1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.639 11.841 2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.246 12.363 3.411 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.586 13.864 2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.585 13.899 4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.365 12.973 4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.963 11.927 6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.407 10.927 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.590 11.824 5.618 1.00 0.00 H new ATOM 1174 N HIS A 70 4.994 7.963 0.725 1.00 0.00 N ATOM 1175 CA HIS A 70 5.371 6.558 0.661 1.00 0.00 C ATOM 1176 C HIS A 70 5.270 6.048 -0.770 1.00 0.00 C ATOM 1177 O HIS A 70 6.009 5.152 -1.172 1.00 0.00 O ATOM 1178 CB HIS A 70 4.477 5.726 1.581 1.00 0.00 C ATOM 1179 CG HIS A 70 4.395 6.259 2.977 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.722 5.612 3.993 1.00 0.00 N ATOM 1181 CD2 HIS A 70 4.907 7.386 3.527 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.823 6.318 5.105 1.00 0.00 C ATOM 1183 NE2 HIS A 70 4.538 7.398 4.849 1.00 0.00 N ATOM 0 H HIS A 70 4.176 8.154 1.304 1.00 0.00 H new ATOM 0 HA HIS A 70 6.404 6.461 0.995 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.474 5.683 1.158 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.853 4.704 1.613 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.496 8.136 3.020 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.394 6.056 6.061 1.00 0.00 H new ATOM 0 HE2 HIS A 70 4.777 8.124 5.524 1.00 0.00 H new ATOM 1192 N GLN A 71 4.354 6.633 -1.541 1.00 0.00 N ATOM 1193 CA GLN A 71 4.162 6.245 -2.932 1.00 0.00 C ATOM 1194 C GLN A 71 5.446 6.472 -3.720 1.00 0.00 C ATOM 1195 O GLN A 71 5.888 5.605 -4.474 1.00 0.00 O ATOM 1196 CB GLN A 71 3.015 7.041 -3.557 1.00 0.00 C ATOM 1197 CG GLN A 71 1.658 6.372 -3.408 1.00 0.00 C ATOM 1198 CD GLN A 71 0.556 7.127 -4.125 1.00 0.00 C ATOM 1199 OE1 GLN A 71 0.295 6.897 -5.305 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -0.100 8.035 -3.410 1.00 0.00 N ATOM 0 H GLN A 71 3.734 7.378 -1.223 1.00 0.00 H new ATOM 0 HA GLN A 71 3.908 5.186 -2.965 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.976 8.029 -3.097 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.223 7.191 -4.617 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.712 5.356 -3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.410 6.292 -2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.150 8.193 -2.434 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.853 8.574 -3.837 1.00 0.00 H new ATOM 1209 N VAL A 72 6.048 7.641 -3.527 1.00 0.00 N ATOM 1210 CA VAL A 72 7.294 7.975 -4.204 1.00 0.00 C ATOM 1211 C VAL A 72 8.383 6.995 -3.806 1.00 0.00 C ATOM 1212 O VAL A 72 8.997 6.351 -4.655 1.00 0.00 O ATOM 1213 CB VAL A 72 7.767 9.398 -3.869 1.00 0.00 C ATOM 1214 CG1 VAL A 72 8.816 9.862 -4.868 1.00 0.00 C ATOM 1215 CG2 VAL A 72 6.595 10.368 -3.828 1.00 0.00 C ATOM 0 H VAL A 72 5.694 8.371 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 72 7.101 7.917 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 72 8.221 9.379 -2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.139 10.872 -4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.672 9.188 -4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.390 9.859 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.958 11.368 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.102 10.384 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.884 10.048 -3.066 1.00 0.00 H new ATOM 1225 N GLU A 73 8.608 6.871 -2.499 1.00 0.00 N ATOM 1226 CA GLU A 73 9.614 5.947 -1.989 1.00 0.00 C ATOM 1227 C GLU A 73 9.296 4.537 -2.455 1.00 0.00 C ATOM 1228 O GLU A 73 10.193 3.747 -2.748 1.00 0.00 O ATOM 1229 CB GLU A 73 9.674 6.001 -0.461 1.00 0.00 C ATOM 1230 CG GLU A 73 10.723 6.963 0.073 1.00 0.00 C ATOM 1231 CD GLU A 73 11.815 6.261 0.857 1.00 0.00 C ATOM 1232 OE1 GLU A 73 12.583 5.489 0.245 1.00 0.00 O ATOM 1233 OE2 GLU A 73 11.902 6.483 2.083 1.00 0.00 O ATOM 0 H GLU A 73 8.110 7.396 -1.780 1.00 0.00 H new ATOM 0 HA GLU A 73 10.589 6.241 -2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.696 6.293 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.881 5.002 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.171 7.505 -0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.240 7.702 0.712 1.00 0.00 H new ATOM 1240 N TYR A 74 8.004 4.241 -2.558 1.00 0.00 N ATOM 1241 CA TYR A 74 7.558 2.942 -3.031 1.00 0.00 C ATOM 1242 C TYR A 74 8.067 2.734 -4.449 1.00 0.00 C ATOM 1243 O TYR A 74 8.404 1.619 -4.849 1.00 0.00 O ATOM 1244 CB TYR A 74 6.031 2.856 -2.996 1.00 0.00 C ATOM 1245 CG TYR A 74 5.484 1.471 -3.260 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.704 0.433 -2.365 1.00 0.00 C ATOM 1247 CD2 TYR A 74 4.740 1.207 -4.403 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.199 -0.832 -2.601 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.229 -0.054 -4.646 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.461 -1.069 -3.744 1.00 0.00 C ATOM 1251 OH TYR A 74 3.952 -2.325 -3.981 1.00 0.00 O ATOM 0 H TYR A 74 7.250 4.885 -2.319 1.00 0.00 H new ATOM 0 HA TYR A 74 7.955 2.162 -2.381 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.681 3.193 -2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.622 3.544 -3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.279 0.617 -1.470 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.558 2.000 -5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.380 -1.630 -1.896 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.651 -0.243 -5.538 1.00 0.00 H new ATOM 0 HH TYR A 74 4.541 -2.805 -4.600 1.00 0.00 H new ATOM 1261 N ASP A 75 8.140 3.833 -5.200 1.00 0.00 N ATOM 1262 CA ASP A 75 8.631 3.794 -6.569 1.00 0.00 C ATOM 1263 C ASP A 75 10.144 3.600 -6.584 1.00 0.00 C ATOM 1264 O ASP A 75 10.685 2.923 -7.457 1.00 0.00 O ATOM 1265 CB ASP A 75 8.257 5.082 -7.307 1.00 0.00 C ATOM 1266 CG ASP A 75 7.075 4.892 -8.238 1.00 0.00 C ATOM 1267 OD1 ASP A 75 6.872 3.755 -8.714 1.00 0.00 O ATOM 1268 OD2 ASP A 75 6.352 5.878 -8.489 1.00 0.00 O ATOM 0 H ASP A 75 7.864 4.761 -4.879 1.00 0.00 H new ATOM 0 HA ASP A 75 8.165 2.951 -7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.022 5.859 -6.580 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.115 5.431 -7.881 1.00 0.00 H new ATOM 1273 N GLN A 76 10.822 4.199 -5.606 1.00 0.00 N ATOM 1274 CA GLN A 76 12.273 4.092 -5.508 1.00 0.00 C ATOM 1275 C GLN A 76 12.693 2.657 -5.209 1.00 0.00 C ATOM 1276 O GLN A 76 13.743 2.200 -5.662 1.00 0.00 O ATOM 1277 CB GLN A 76 12.802 5.028 -4.420 1.00 0.00 C ATOM 1278 CG GLN A 76 12.718 6.500 -4.790 1.00 0.00 C ATOM 1279 CD GLN A 76 13.787 7.335 -4.111 1.00 0.00 C ATOM 1280 OE1 GLN A 76 14.950 6.940 -4.044 1.00 0.00 O ATOM 1281 NE2 GLN A 76 13.394 8.497 -3.602 1.00 0.00 N ATOM 0 H GLN A 76 10.389 4.761 -4.873 1.00 0.00 H new ATOM 0 HA GLN A 76 12.700 4.384 -6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.238 4.860 -3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.840 4.774 -4.207 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.812 6.605 -5.871 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.735 6.884 -4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.419 8.785 -3.681 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.068 9.102 -3.132 1.00 0.00 H new ATOM 1290 N LEU A 77 11.867 1.950 -4.444 1.00 0.00 N ATOM 1291 CA LEU A 77 12.153 0.566 -4.084 1.00 0.00 C ATOM 1292 C LEU A 77 11.778 -0.380 -5.219 1.00 0.00 C ATOM 1293 O LEU A 77 12.429 -1.404 -5.429 1.00 0.00 O ATOM 1294 CB LEU A 77 11.396 0.182 -2.813 1.00 0.00 C ATOM 1295 CG LEU A 77 11.769 0.989 -1.568 1.00 0.00 C ATOM 1296 CD1 LEU A 77 10.558 1.173 -0.667 1.00 0.00 C ATOM 1297 CD2 LEU A 77 12.901 0.309 -0.813 1.00 0.00 C ATOM 0 H LEU A 77 10.994 2.313 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 77 13.224 0.478 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.328 0.298 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.572 -0.874 -2.609 1.00 0.00 H new ATOM 0 HG LEU A 77 12.111 1.974 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.843 1.749 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.777 1.704 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.184 0.197 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.154 0.896 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.587 -0.689 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.775 0.232 -1.460 1.00 0.00 H new ATOM 1398 N ARG B 103 -5.938 7.094 5.717 1.00 0.00 N ATOM 1399 CA ARG B 103 -7.138 6.490 6.283 1.00 0.00 C ATOM 1400 C ARG B 103 -7.552 5.257 5.488 1.00 0.00 C ATOM 1401 O ARG B 103 -8.076 4.293 6.045 1.00 0.00 O ATOM 1402 CB ARG B 103 -8.282 7.505 6.304 1.00 0.00 C ATOM 1403 CG ARG B 103 -9.491 7.044 7.104 1.00 0.00 C ATOM 1404 CD ARG B 103 -9.766 7.964 8.284 1.00 0.00 C ATOM 1405 NE ARG B 103 -11.198 8.178 8.489 1.00 0.00 N ATOM 1406 CZ ARG B 103 -11.936 9.001 7.751 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -11.386 9.690 6.758 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -13.230 9.137 8.005 1.00 0.00 N ATOM 0 HA ARG B 103 -6.914 6.183 7.305 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -7.917 8.443 6.722 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -8.592 7.712 5.280 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -10.366 7.012 6.455 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -9.324 6.029 7.465 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -9.330 7.536 9.187 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -9.276 8.923 8.118 1.00 0.00 H new ATOM 0 HE ARG B 103 -11.657 7.666 9.242 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -10.391 9.589 6.557 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -11.959 10.320 6.196 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -13.658 8.610 8.766 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -13.797 9.768 7.439 1.00 0.00 H new ATOM 1422 N TYR B 104 -7.314 5.296 4.178 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.662 4.184 3.298 1.00 0.00 C ATOM 1424 C TYR B 104 -7.197 2.851 3.878 1.00 0.00 C ATOM 1425 O TYR B 104 -7.903 1.846 3.793 1.00 0.00 O ATOM 1426 CB TYR B 104 -7.046 4.392 1.913 1.00 0.00 C ATOM 1427 CG TYR B 104 -7.549 5.629 1.205 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -8.902 5.796 0.935 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -6.671 6.631 0.806 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -9.366 6.926 0.287 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -7.128 7.763 0.160 1.00 0.00 C ATOM 1432 CZ TYR B 104 -8.476 7.906 -0.097 1.00 0.00 C ATOM 1433 OH TYR B 104 -8.934 9.032 -0.741 1.00 0.00 O ATOM 0 H TYR B 104 -6.881 6.088 3.703 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.748 4.156 3.209 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -5.962 4.456 2.013 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -7.258 3.519 1.296 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -9.602 5.031 1.236 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -5.615 6.522 1.004 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -10.420 7.040 0.083 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -6.433 8.533 -0.143 1.00 0.00 H new ATOM 0 HH TYR B 104 -8.179 9.624 -0.942 1.00 0.00 H new ATOM 1443 N LEU B 105 -6.006 2.849 4.471 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.452 1.639 5.066 1.00 0.00 C ATOM 1445 C LEU B 105 -6.367 1.112 6.168 1.00 0.00 C ATOM 1446 O LEU B 105 -6.748 -0.058 6.167 1.00 0.00 O ATOM 1447 CB LEU B 105 -4.055 1.914 5.626 1.00 0.00 C ATOM 1448 CG LEU B 105 -2.962 0.964 5.133 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -2.366 1.467 3.829 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -1.879 0.806 6.190 1.00 0.00 C ATOM 0 H LEU B 105 -5.408 3.671 4.552 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.376 0.879 4.288 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.771 2.935 5.369 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -4.099 1.860 6.714 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.410 -0.013 4.950 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -1.590 0.778 3.494 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -3.148 1.529 3.072 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.932 2.455 3.984 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.109 0.127 5.823 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -1.434 1.778 6.403 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -2.317 0.400 7.102 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.718 1.986 7.104 1.00 0.00 N ATOM 1463 CA ARG B 106 -7.593 1.615 8.210 1.00 0.00 C ATOM 1464 C ARG B 106 -8.965 1.189 7.697 1.00 0.00 C ATOM 1465 O ARG B 106 -9.621 0.333 8.288 1.00 0.00 O ATOM 1466 CB ARG B 106 -7.741 2.787 9.184 1.00 0.00 C ATOM 1467 CG ARG B 106 -7.753 2.366 10.645 1.00 0.00 C ATOM 1468 CD ARG B 106 -8.211 3.501 11.549 1.00 0.00 C ATOM 1469 NE ARG B 106 -7.615 4.780 11.172 1.00 0.00 N ATOM 1470 CZ ARG B 106 -6.333 5.084 11.358 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -5.509 4.207 11.919 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -5.872 6.269 10.983 1.00 0.00 N ATOM 0 H ARG B 106 -6.410 2.958 7.119 1.00 0.00 H new ATOM 0 HA ARG B 106 -7.142 0.771 8.732 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -6.922 3.488 9.023 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -8.665 3.320 8.960 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -8.414 1.509 10.772 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -6.754 2.045 10.940 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -9.297 3.581 11.507 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -7.949 3.270 12.581 1.00 0.00 H new ATOM 0 HE ARG B 106 -8.217 5.481 10.741 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -5.858 3.294 12.210 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -4.527 4.447 12.059 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -6.500 6.947 10.552 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -4.889 6.502 11.125 1.00 0.00 H new ATOM 1486 N GLU B 107 -9.391 1.794 6.593 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.687 1.477 6.001 1.00 0.00 C ATOM 1488 C GLU B 107 -10.762 0.002 5.618 1.00 0.00 C ATOM 1489 O GLU B 107 -11.636 -0.728 6.088 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.936 2.352 4.769 1.00 0.00 C ATOM 1491 CG GLU B 107 -12.320 2.977 4.737 1.00 0.00 C ATOM 1492 CD GLU B 107 -13.333 2.115 4.011 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -13.266 2.042 2.766 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -14.194 1.512 4.687 1.00 0.00 O ATOM 0 H GLU B 107 -8.860 2.505 6.091 1.00 0.00 H new ATOM 0 HA GLU B 107 -11.459 1.680 6.743 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -10.188 3.144 4.739 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -10.798 1.749 3.872 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -12.660 3.149 5.758 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -12.263 3.951 4.252 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.839 -0.433 4.765 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.800 -1.821 4.323 1.00 0.00 C ATOM 1503 C ALA B 108 -9.311 -2.734 5.441 1.00 0.00 C ATOM 1504 O ALA B 108 -9.867 -3.808 5.670 1.00 0.00 O ATOM 1505 CB ALA B 108 -8.910 -1.960 3.098 1.00 0.00 C ATOM 0 H ALA B 108 -9.108 0.157 4.367 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.813 -2.123 4.057 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -8.890 -3.002 2.779 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -9.302 -1.341 2.291 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -7.899 -1.637 3.345 1.00 0.00 H new ATOM 1511 N ILE B 109 -8.269 -2.295 6.138 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.700 -3.064 7.238 1.00 0.00 C ATOM 1513 C ILE B 109 -8.753 -3.336 8.313 1.00 0.00 C ATOM 1514 O ILE B 109 -9.002 -4.486 8.676 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.495 -2.326 7.865 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.325 -2.294 6.881 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -6.071 -2.981 9.172 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -4.225 -1.333 7.281 1.00 0.00 C ATOM 0 H ILE B 109 -7.800 -1.407 5.960 1.00 0.00 H new ATOM 0 HA ILE B 109 -7.356 -4.015 6.831 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.800 -1.303 8.085 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.907 -3.297 6.794 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.698 -2.017 5.895 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -5.222 -2.441 9.591 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -6.901 -2.955 9.878 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.786 -4.016 8.985 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.428 -1.362 6.538 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.629 -0.322 7.340 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.825 -1.622 8.253 1.00 0.00 H new ATOM 1530 N GLN B 110 -9.366 -2.270 8.816 1.00 0.00 N ATOM 1531 CA GLN B 110 -10.391 -2.397 9.845 1.00 0.00 C ATOM 1532 C GLN B 110 -11.602 -3.147 9.312 1.00 0.00 C ATOM 1533 O GLN B 110 -12.211 -3.947 10.023 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.808 -1.018 10.358 1.00 0.00 C ATOM 1535 CG GLN B 110 -11.660 -1.070 11.617 1.00 0.00 C ATOM 1536 CD GLN B 110 -10.829 -1.050 12.885 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -10.597 0.007 13.473 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -10.375 -2.221 13.314 1.00 0.00 N ATOM 0 H GLN B 110 -9.172 -1.311 8.529 1.00 0.00 H new ATOM 0 HA GLN B 110 -9.970 -2.967 10.674 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -9.914 -0.428 10.558 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -11.362 -0.500 9.575 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -12.345 -0.222 11.623 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -12.270 -1.973 11.601 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -10.591 -3.073 12.796 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -9.810 -2.269 14.162 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.944 -2.898 8.053 1.00 0.00 N ATOM 1548 CA GLU B 111 -13.079 -3.570 7.430 1.00 0.00 C ATOM 1549 C GLU B 111 -12.929 -5.075 7.573 1.00 0.00 C ATOM 1550 O GLU B 111 -13.894 -5.785 7.861 1.00 0.00 O ATOM 1551 CB GLU B 111 -13.189 -3.184 5.952 1.00 0.00 C ATOM 1552 CG GLU B 111 -14.321 -3.889 5.221 1.00 0.00 C ATOM 1553 CD GLU B 111 -15.454 -2.950 4.855 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -16.338 -2.725 5.708 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -15.457 -2.440 3.716 1.00 0.00 O ATOM 0 H GLU B 111 -11.455 -2.240 7.446 1.00 0.00 H new ATOM 0 HA GLU B 111 -13.993 -3.255 7.934 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -13.334 -2.106 5.876 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -12.247 -3.414 5.454 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -13.930 -4.352 4.315 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -14.708 -4.692 5.848 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.704 -5.553 7.395 1.00 0.00 N ATOM 1563 CA TYR B 112 -11.415 -6.971 7.528 1.00 0.00 C ATOM 1564 C TYR B 112 -11.467 -7.368 8.994 1.00 0.00 C ATOM 1565 O TYR B 112 -11.898 -8.471 9.333 1.00 0.00 O ATOM 1566 CB TYR B 112 -10.043 -7.300 6.937 1.00 0.00 C ATOM 1567 CG TYR B 112 -9.863 -8.762 6.600 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -10.774 -9.425 5.789 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -8.781 -9.480 7.095 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -10.613 -10.761 5.477 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -8.614 -10.817 6.790 1.00 0.00 C ATOM 1572 CZ TYR B 112 -9.532 -11.453 5.981 1.00 0.00 C ATOM 1573 OH TYR B 112 -9.368 -12.785 5.674 1.00 0.00 O ATOM 0 H TYR B 112 -10.896 -4.978 7.158 1.00 0.00 H new ATOM 0 HA TYR B 112 -12.167 -7.536 6.977 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.894 -6.707 6.035 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -9.271 -7.002 7.646 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -11.623 -8.887 5.395 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -8.059 -8.985 7.728 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -11.330 -11.261 4.842 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -7.768 -11.362 7.183 1.00 0.00 H new ATOM 0 HH TYR B 112 -8.557 -13.123 6.107 1.00 0.00 H new ATOM 1583 N ASP B 113 -11.047 -6.453 9.865 1.00 0.00 N ATOM 1584 CA ASP B 113 -11.075 -6.709 11.297 1.00 0.00 C ATOM 1585 C ASP B 113 -12.508 -6.980 11.743 1.00 0.00 C ATOM 1586 O ASP B 113 -12.747 -7.747 12.676 1.00 0.00 O ATOM 1587 CB ASP B 113 -10.495 -5.519 12.064 1.00 0.00 C ATOM 1588 CG ASP B 113 -9.438 -5.937 13.067 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -8.326 -6.311 12.636 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -9.720 -5.891 14.283 1.00 0.00 O ATOM 0 H ASP B 113 -10.686 -5.535 9.604 1.00 0.00 H new ATOM 0 HA ASP B 113 -10.464 -7.585 11.512 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -10.062 -4.811 11.357 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -11.299 -4.998 12.584 1.00 0.00 H new ATOM 1595 N ASN B 114 -13.458 -6.349 11.055 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.870 -6.523 11.363 1.00 0.00 C ATOM 1597 C ASN B 114 -15.410 -7.793 10.716 1.00 0.00 C ATOM 1598 O ASN B 114 -16.285 -8.460 11.269 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.672 -5.311 10.886 1.00 0.00 C ATOM 1600 CG ASN B 114 -16.811 -4.965 11.825 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -17.981 -5.009 11.445 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -16.474 -4.619 13.062 1.00 0.00 N ATOM 0 H ASN B 114 -13.272 -5.712 10.280 1.00 0.00 H new ATOM 0 HA ASN B 114 -14.974 -6.613 12.444 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -15.007 -4.452 10.794 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -16.072 -5.512 9.892 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -17.198 -4.377 13.739 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -15.492 -4.596 13.335 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.885 -8.126 9.538 1.00 0.00 N ATOM 1610 CA ILE B 115 -15.318 -9.317 8.819 1.00 0.00 C ATOM 1611 C ILE B 115 -14.727 -10.577 9.441 1.00 0.00 C ATOM 1612 O ILE B 115 -15.437 -11.368 10.062 1.00 0.00 O ATOM 1613 CB ILE B 115 -14.922 -9.248 7.330 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -15.482 -7.975 6.692 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -15.421 -10.478 6.588 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -14.637 -7.451 5.551 1.00 0.00 C ATOM 0 H ILE B 115 -14.160 -7.587 9.064 1.00 0.00 H new ATOM 0 HA ILE B 115 -16.405 -9.358 8.893 1.00 0.00 H new ATOM 0 HB ILE B 115 -13.834 -9.223 7.261 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -16.489 -8.174 6.326 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -15.567 -7.202 7.456 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -15.132 -10.412 5.539 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -14.982 -11.372 7.030 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -16.507 -10.532 6.663 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -15.093 -6.548 5.146 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -13.636 -7.220 5.916 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -14.573 -8.207 4.769 1.00 0.00 H new