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 -15:sc= -1.53 USER MOD Set 1.2: A 70 HIS : no HD1:sc= -0.313 K(o=-1.8,f=-13!) USER MOD Single : A 4 LYS NZ :NH3+ -158:sc= -0.0129 (180deg=-0.218) USER MOD Single : A 11 HIS :FLIP no HE2:sc= -0.0437 F(o=-0.93,f=-0.044) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.55) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 30:sc= -1.98 USER MOD Single : A 32 MET CE :methyl -163:sc= 0 (180deg=-0.291) USER MOD Single : A 34 HIS : no HE2:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 133:sc= -3.17 (180deg=-5!) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= -0.0117 (180deg=-0.144) USER MOD Single : A 51 ASN : amide:sc=-0.00483 X(o=-0.0048,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 :FLIP amide:sc= 0.832 F(o=-0.76,f=0.83) USER MOD Single : A 74 TYR OH : rot 21:sc= -0.0878 USER MOD Single : A 76 GLN : amide:sc= -0.526 K(o=-0.53,f=-1.4) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -0.0949 K(o=-0.095,f=-1.8!) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 ASN : amide:sc= -0.0293 X(o=-0.029,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -15.946 3.136 2.440 1.00 0.00 N ATOM 33 CA ARG A 3 -16.490 1.785 2.543 1.00 0.00 C ATOM 34 C ARG A 3 -16.247 1.001 1.257 1.00 0.00 C ATOM 35 O ARG A 3 -15.968 -0.198 1.294 1.00 0.00 O ATOM 36 CB ARG A 3 -17.988 1.834 2.850 1.00 0.00 C ATOM 37 CG ARG A 3 -18.746 2.877 2.042 1.00 0.00 C ATOM 38 CD ARG A 3 -20.186 2.456 1.796 1.00 0.00 C ATOM 39 NE ARG A 3 -21.138 3.458 2.272 1.00 0.00 N ATOM 40 CZ ARG A 3 -22.421 3.204 2.514 1.00 0.00 C ATOM 41 NH1 ARG A 3 -22.913 1.985 2.327 1.00 0.00 N ATOM 42 NH2 ARG A 3 -23.219 4.174 2.946 1.00 0.00 N ATOM 0 HA ARG A 3 -15.977 1.277 3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.421 0.853 2.657 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.125 2.040 3.912 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -18.730 3.830 2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -18.244 3.034 1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -20.338 2.289 0.730 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.377 1.507 2.297 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.799 4.407 2.428 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -22.306 1.235 1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -23.898 1.798 2.515 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -22.848 5.113 3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -24.203 3.980 3.132 1.00 0.00 H new ATOM 56 N LYS A 4 -16.357 1.684 0.121 1.00 0.00 N ATOM 57 CA LYS A 4 -16.148 1.048 -1.175 1.00 0.00 C ATOM 58 C LYS A 4 -14.671 0.772 -1.411 1.00 0.00 C ATOM 59 O LYS A 4 -14.309 -0.207 -2.063 1.00 0.00 O ATOM 60 CB LYS A 4 -16.706 1.925 -2.296 1.00 0.00 C ATOM 61 CG LYS A 4 -17.225 1.134 -3.486 1.00 0.00 C ATOM 62 CD LYS A 4 -17.962 2.027 -4.473 1.00 0.00 C ATOM 63 CE LYS A 4 -19.321 1.451 -4.840 1.00 0.00 C ATOM 64 NZ LYS A 4 -19.208 0.081 -5.413 1.00 0.00 N ATOM 0 H LYS A 4 -16.589 2.676 0.072 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.680 0.096 -1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.514 2.539 -1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.926 2.606 -2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.392 0.644 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.893 0.347 -3.137 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.091 3.019 -4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.361 2.148 -5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.954 1.422 -3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.810 2.106 -5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.055 -0.129 -5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.364 0.027 -6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.126 -0.612 -4.642 1.00 0.00 H new ATOM 78 N VAL A 5 -13.814 1.635 -0.869 1.00 0.00 N ATOM 79 CA VAL A 5 -12.375 1.469 -1.020 1.00 0.00 C ATOM 80 C VAL A 5 -11.961 0.065 -0.595 1.00 0.00 C ATOM 81 O VAL A 5 -11.045 -0.527 -1.165 1.00 0.00 O ATOM 82 CB VAL A 5 -11.594 2.502 -0.184 1.00 0.00 C ATOM 83 CG1 VAL A 5 -10.100 2.390 -0.450 1.00 0.00 C ATOM 84 CG2 VAL A 5 -12.092 3.911 -0.478 1.00 0.00 C ATOM 0 H VAL A 5 -14.092 2.452 -0.324 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.136 1.625 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.766 2.292 0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.567 3.128 0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.757 1.390 -0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.904 2.572 -1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.530 4.628 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.952 4.133 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.151 3.982 -0.229 1.00 0.00 H new ATOM 94 N ALA A 6 -12.660 -0.465 0.404 1.00 0.00 N ATOM 95 CA ALA A 6 -12.387 -1.806 0.901 1.00 0.00 C ATOM 96 C ALA A 6 -12.866 -2.854 -0.095 1.00 0.00 C ATOM 97 O ALA A 6 -12.210 -3.875 -0.303 1.00 0.00 O ATOM 98 CB ALA A 6 -13.049 -2.014 2.255 1.00 0.00 C ATOM 0 H ALA A 6 -13.420 0.016 0.885 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.309 -1.917 1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.836 -3.021 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.659 -1.286 2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.127 -1.884 2.157 1.00 0.00 H new ATOM 104 N ARG A 7 -14.015 -2.592 -0.712 1.00 0.00 N ATOM 105 CA ARG A 7 -14.583 -3.511 -1.692 1.00 0.00 C ATOM 106 C ARG A 7 -13.717 -3.567 -2.944 1.00 0.00 C ATOM 107 O ARG A 7 -13.565 -4.623 -3.559 1.00 0.00 O ATOM 108 CB ARG A 7 -16.007 -3.091 -2.058 1.00 0.00 C ATOM 109 CG ARG A 7 -17.069 -3.686 -1.147 1.00 0.00 C ATOM 110 CD ARG A 7 -18.289 -4.141 -1.934 1.00 0.00 C ATOM 111 NE ARG A 7 -19.434 -3.256 -1.729 1.00 0.00 N ATOM 112 CZ ARG A 7 -20.693 -3.600 -1.991 1.00 0.00 C ATOM 113 NH1 ARG A 7 -20.973 -4.807 -2.469 1.00 0.00 N ATOM 114 NH2 ARG A 7 -21.675 -2.735 -1.777 1.00 0.00 N ATOM 0 H ARG A 7 -14.570 -1.752 -0.550 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.613 -4.505 -1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.077 -2.004 -2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.213 -3.390 -3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -16.650 -4.532 -0.602 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -17.369 -2.946 -0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -18.043 -4.176 -2.995 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -18.556 -5.155 -1.635 1.00 0.00 H new ATOM 0 HE ARG A 7 -19.258 -2.320 -1.364 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -20.222 -5.476 -2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -21.940 -5.065 -2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -21.466 -1.806 -1.412 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -22.640 -2.999 -1.978 1.00 0.00 H new ATOM 128 N GLU A 8 -13.148 -2.425 -3.313 1.00 0.00 N ATOM 129 CA GLU A 8 -12.293 -2.346 -4.490 1.00 0.00 C ATOM 130 C GLU A 8 -10.951 -3.015 -4.223 1.00 0.00 C ATOM 131 O GLU A 8 -10.468 -3.806 -5.033 1.00 0.00 O ATOM 132 CB GLU A 8 -12.082 -0.887 -4.899 1.00 0.00 C ATOM 133 CG GLU A 8 -13.348 -0.201 -5.380 1.00 0.00 C ATOM 134 CD GLU A 8 -13.520 -0.280 -6.885 1.00 0.00 C ATOM 135 OE1 GLU A 8 -13.956 -1.343 -7.376 1.00 0.00 O ATOM 136 OE2 GLU A 8 -13.219 0.718 -7.571 1.00 0.00 O ATOM 0 H GLU A 8 -13.263 -1.543 -2.814 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.787 -2.872 -5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.680 -0.335 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.333 -0.845 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.211 -0.658 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.328 0.845 -5.075 1.00 0.00 H new ATOM 143 N PHE A 9 -10.355 -2.700 -3.077 1.00 0.00 N ATOM 144 CA PHE A 9 -9.074 -3.284 -2.702 1.00 0.00 C ATOM 145 C PHE A 9 -9.214 -4.791 -2.528 1.00 0.00 C ATOM 146 O PHE A 9 -8.338 -5.557 -2.929 1.00 0.00 O ATOM 147 CB PHE A 9 -8.556 -2.651 -1.409 1.00 0.00 C ATOM 148 CG PHE A 9 -7.176 -3.107 -1.030 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.983 -4.329 -0.408 1.00 0.00 C ATOM 150 CD2 PHE A 9 -6.072 -2.313 -1.297 1.00 0.00 C ATOM 151 CE1 PHE A 9 -5.713 -4.752 -0.059 1.00 0.00 C ATOM 152 CE2 PHE A 9 -4.802 -2.728 -0.949 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.622 -3.950 -0.330 1.00 0.00 C ATOM 0 H PHE A 9 -10.738 -2.046 -2.395 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.356 -3.086 -3.498 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.554 -1.567 -1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.244 -2.887 -0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.834 -4.959 -0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.207 -1.358 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.575 -5.708 0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.950 -2.098 -1.160 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.629 -4.278 -0.058 1.00 0.00 H new ATOM 163 N ARG A 10 -10.326 -5.207 -1.931 1.00 0.00 N ATOM 164 CA ARG A 10 -10.590 -6.622 -1.708 1.00 0.00 C ATOM 165 C ARG A 10 -10.963 -7.310 -3.016 1.00 0.00 C ATOM 166 O ARG A 10 -10.448 -8.382 -3.334 1.00 0.00 O ATOM 167 CB ARG A 10 -11.714 -6.799 -0.684 1.00 0.00 C ATOM 168 CG ARG A 10 -11.679 -8.140 0.033 1.00 0.00 C ATOM 169 CD ARG A 10 -12.606 -9.150 -0.625 1.00 0.00 C ATOM 170 NE ARG A 10 -13.782 -9.429 0.195 1.00 0.00 N ATOM 171 CZ ARG A 10 -14.672 -10.377 -0.084 1.00 0.00 C ATOM 172 NH1 ARG A 10 -14.524 -11.140 -1.160 1.00 0.00 N ATOM 173 NH2 ARG A 10 -15.714 -10.565 0.715 1.00 0.00 N ATOM 0 H ARG A 10 -11.059 -4.583 -1.593 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.682 -7.082 -1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.650 -6.000 0.055 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.674 -6.691 -1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.660 -8.527 0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.969 -8.004 1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.923 -8.772 -1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.062 -10.077 -0.806 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.929 -8.863 1.031 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.724 -11.001 -1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.210 -11.866 -1.369 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.833 -9.982 1.544 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.396 -11.292 0.501 1.00 0.00 H new ATOM 187 N HIS A 11 -11.861 -6.687 -3.774 1.00 0.00 N ATOM 188 CA HIS A 11 -12.295 -7.244 -5.049 1.00 0.00 C ATOM 189 C HIS A 11 -11.127 -7.331 -6.023 1.00 0.00 C ATOM 190 O HIS A 11 -10.993 -8.304 -6.766 1.00 0.00 O ATOM 191 CB HIS A 11 -13.417 -6.393 -5.650 1.00 0.00 C ATOM 192 CG HIS A 11 -13.968 -6.944 -6.928 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.752 -8.129 -7.548 1.00 0.00 N flip ATOM 194 CD2 HIS A 11 -14.855 -6.253 -7.725 1.00 0.00 C flip ATOM 195 CE1 HIS A 11 -14.507 -8.130 -8.695 1.00 0.00 C flip ATOM 196 NE2 HIS A 11 -15.163 -6.987 -8.779 1.00 0.00 N flip ATOM 0 H HIS A 11 -12.300 -5.800 -3.528 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.674 -8.250 -4.870 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.225 -6.306 -4.923 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.041 -5.386 -5.830 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -13.143 -8.880 -7.224 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -15.239 -5.265 -7.520 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.556 -8.936 -9.413 1.00 0.00 H new ATOM 205 N LYS A 12 -10.277 -6.307 -6.010 1.00 0.00 N ATOM 206 CA LYS A 12 -9.113 -6.273 -6.886 1.00 0.00 C ATOM 207 C LYS A 12 -8.181 -7.438 -6.576 1.00 0.00 C ATOM 208 O LYS A 12 -7.804 -8.202 -7.464 1.00 0.00 O ATOM 209 CB LYS A 12 -8.367 -4.948 -6.728 1.00 0.00 C ATOM 210 CG LYS A 12 -8.913 -3.833 -7.605 1.00 0.00 C ATOM 211 CD LYS A 12 -8.369 -3.924 -9.022 1.00 0.00 C ATOM 212 CE LYS A 12 -8.611 -2.637 -9.794 1.00 0.00 C ATOM 213 NZ LYS A 12 -8.681 -2.877 -11.263 1.00 0.00 N ATOM 0 H LYS A 12 -10.374 -5.493 -5.403 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.455 -6.363 -7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.416 -4.635 -5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.314 -5.103 -6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.001 -3.886 -7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.650 -2.867 -7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.300 -4.135 -8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.843 -4.756 -9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.541 -2.180 -9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.811 -1.929 -9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.847 -1.976 -11.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.784 -3.290 -11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.461 -3.533 -11.471 1.00 0.00 H new ATOM 227 N VAL A 13 -7.823 -7.576 -5.301 1.00 0.00 N ATOM 228 CA VAL A 13 -6.941 -8.653 -4.869 1.00 0.00 C ATOM 229 C VAL A 13 -7.479 -10.004 -5.328 1.00 0.00 C ATOM 230 O VAL A 13 -6.721 -10.884 -5.731 1.00 0.00 O ATOM 231 CB VAL A 13 -6.781 -8.661 -3.334 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.861 -9.788 -2.888 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.262 -7.318 -2.846 1.00 0.00 C ATOM 0 H VAL A 13 -8.130 -6.956 -4.552 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.965 -8.479 -5.323 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.762 -8.833 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.765 -9.771 -1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.280 -10.745 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.878 -9.656 -3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.155 -7.341 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.293 -7.115 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.965 -6.533 -3.124 1.00 0.00 H new ATOM 243 N ASP A 14 -8.797 -10.155 -5.271 1.00 0.00 N ATOM 244 CA ASP A 14 -9.440 -11.391 -5.688 1.00 0.00 C ATOM 245 C ASP A 14 -9.425 -11.533 -7.209 1.00 0.00 C ATOM 246 O ASP A 14 -9.432 -12.644 -7.737 1.00 0.00 O ATOM 247 CB ASP A 14 -10.880 -11.440 -5.175 1.00 0.00 C ATOM 248 CG ASP A 14 -10.972 -11.171 -3.685 1.00 0.00 C ATOM 249 OD1 ASP A 14 -9.937 -11.291 -2.994 1.00 0.00 O ATOM 250 OD2 ASP A 14 -12.078 -10.845 -3.208 1.00 0.00 O ATOM 0 H ASP A 14 -9.440 -9.436 -4.940 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.879 -12.222 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.479 -10.705 -5.712 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.307 -12.419 -5.392 1.00 0.00 H new ATOM 255 N PHE A 15 -9.404 -10.400 -7.909 1.00 0.00 N ATOM 256 CA PHE A 15 -9.389 -10.402 -9.366 1.00 0.00 C ATOM 257 C PHE A 15 -8.056 -10.914 -9.894 1.00 0.00 C ATOM 258 O PHE A 15 -7.987 -11.514 -10.968 1.00 0.00 O ATOM 259 CB PHE A 15 -9.662 -8.996 -9.904 1.00 0.00 C ATOM 260 CG PHE A 15 -10.582 -8.974 -11.092 1.00 0.00 C ATOM 261 CD1 PHE A 15 -11.904 -9.370 -10.967 1.00 0.00 C ATOM 262 CD2 PHE A 15 -10.124 -8.559 -12.332 1.00 0.00 C ATOM 263 CE1 PHE A 15 -12.753 -9.353 -12.058 1.00 0.00 C ATOM 264 CE2 PHE A 15 -10.969 -8.538 -13.427 1.00 0.00 C ATOM 265 CZ PHE A 15 -12.284 -8.936 -13.289 1.00 0.00 C ATOM 0 H PHE A 15 -9.397 -9.471 -7.489 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.177 -11.072 -9.712 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.095 -8.390 -9.109 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.715 -8.531 -10.180 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -12.275 -9.696 -10.007 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -9.096 -8.248 -12.445 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -13.781 -9.665 -11.948 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -10.601 -8.211 -14.388 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.945 -8.921 -14.143 1.00 0.00 H new ATOM 275 N LEU A 16 -6.997 -10.659 -9.135 1.00 0.00 N ATOM 276 CA LEU A 16 -5.657 -11.079 -9.525 1.00 0.00 C ATOM 277 C LEU A 16 -5.313 -12.442 -8.935 1.00 0.00 C ATOM 278 O LEU A 16 -4.836 -13.332 -9.637 1.00 0.00 O ATOM 279 CB LEU A 16 -4.626 -10.038 -9.081 1.00 0.00 C ATOM 280 CG LEU A 16 -5.138 -8.596 -9.009 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.367 -7.807 -7.963 1.00 0.00 C ATOM 282 CD2 LEU A 16 -5.030 -7.926 -10.371 1.00 0.00 C ATOM 0 H LEU A 16 -7.041 -10.163 -8.245 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.634 -11.164 -10.611 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.249 -10.321 -8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.781 -10.072 -9.769 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.188 -8.617 -8.717 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.745 -6.785 -7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.494 -8.276 -6.987 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.309 -7.793 -8.224 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.398 -6.902 -10.303 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.988 -7.917 -10.690 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.627 -8.478 -11.097 1.00 0.00 H new ATOM 294 N ILE A 17 -5.561 -12.594 -7.641 1.00 0.00 N ATOM 295 CA ILE A 17 -5.281 -13.843 -6.948 1.00 0.00 C ATOM 296 C ILE A 17 -6.480 -14.770 -6.991 1.00 0.00 C ATOM 297 O ILE A 17 -6.388 -15.904 -7.458 1.00 0.00 O ATOM 298 CB ILE A 17 -4.889 -13.588 -5.477 1.00 0.00 C ATOM 299 CG1 ILE A 17 -3.641 -12.717 -5.409 1.00 0.00 C ATOM 300 CG2 ILE A 17 -4.649 -14.898 -4.739 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.931 -11.244 -5.241 1.00 0.00 C ATOM 0 H ILE A 17 -5.957 -11.864 -7.049 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.444 -14.316 -7.463 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.716 -13.069 -4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.021 -13.052 -4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.059 -12.861 -6.319 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.374 -14.688 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.559 -15.498 -4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.842 -15.447 -5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.993 -10.691 -5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.524 -10.891 -6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.485 -11.086 -4.316 1.00 0.00 H new ATOM 313 N GLU A 18 -7.597 -14.289 -6.470 1.00 0.00 N ATOM 314 CA GLU A 18 -8.813 -15.081 -6.413 1.00 0.00 C ATOM 315 C GLU A 18 -8.664 -16.190 -5.389 1.00 0.00 C ATOM 316 O GLU A 18 -9.568 -16.995 -5.167 1.00 0.00 O ATOM 317 CB GLU A 18 -9.138 -15.642 -7.795 1.00 0.00 C ATOM 318 CG GLU A 18 -9.007 -17.153 -7.910 1.00 0.00 C ATOM 319 CD GLU A 18 -9.186 -17.650 -9.332 1.00 0.00 C ATOM 320 OE1 GLU A 18 -8.482 -17.143 -10.230 1.00 0.00 O ATOM 321 OE2 GLU A 18 -10.031 -18.545 -9.546 1.00 0.00 O ATOM 0 H GLU A 18 -7.686 -13.351 -6.080 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.643 -14.446 -6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.157 -15.357 -8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.478 -15.176 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.026 -17.457 -7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.749 -17.628 -7.268 1.00 0.00 H new ATOM 328 N ASN A 19 -7.507 -16.201 -4.772 1.00 0.00 N ATOM 329 CA ASN A 19 -7.176 -17.185 -3.748 1.00 0.00 C ATOM 330 C ASN A 19 -7.448 -16.621 -2.358 1.00 0.00 C ATOM 331 O ASN A 19 -7.705 -15.428 -2.205 1.00 0.00 O ATOM 332 CB ASN A 19 -5.710 -17.606 -3.867 1.00 0.00 C ATOM 333 CG ASN A 19 -5.465 -19.001 -3.327 1.00 0.00 C ATOM 334 OD1 ASN A 19 -4.878 -19.171 -2.258 1.00 0.00 O ATOM 335 ND2 ASN A 19 -5.913 -20.009 -4.065 1.00 0.00 N ATOM 0 H ASN A 19 -6.762 -15.530 -4.960 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.806 -18.062 -3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.407 -17.566 -4.913 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.085 -16.895 -3.326 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.776 -20.970 -3.752 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.394 -19.822 -4.945 1.00 0.00 H new ATOM 342 N ASP A 20 -7.398 -17.485 -1.351 1.00 0.00 N ATOM 343 CA ASP A 20 -7.645 -17.065 0.024 1.00 0.00 C ATOM 344 C ASP A 20 -6.344 -16.958 0.812 1.00 0.00 C ATOM 345 O ASP A 20 -6.109 -15.971 1.510 1.00 0.00 O ATOM 346 CB ASP A 20 -8.594 -18.047 0.716 1.00 0.00 C ATOM 347 CG ASP A 20 -10.016 -17.936 0.205 1.00 0.00 C ATOM 348 OD1 ASP A 20 -10.357 -16.885 -0.381 1.00 0.00 O ATOM 349 OD2 ASP A 20 -10.791 -18.898 0.391 1.00 0.00 O ATOM 0 H ASP A 20 -7.189 -18.478 -1.460 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.107 -16.078 -0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.234 -19.064 0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.582 -17.863 1.790 1.00 0.00 H new ATOM 354 N ALA A 21 -5.505 -17.981 0.703 1.00 0.00 N ATOM 355 CA ALA A 21 -4.232 -18.000 1.414 1.00 0.00 C ATOM 356 C ALA A 21 -3.366 -16.804 1.036 1.00 0.00 C ATOM 357 O ALA A 21 -2.670 -16.238 1.879 1.00 0.00 O ATOM 358 CB ALA A 21 -3.491 -19.300 1.133 1.00 0.00 C ATOM 0 H ALA A 21 -5.682 -18.806 0.131 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.443 -17.935 2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.542 -19.301 1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.097 -20.143 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.303 -19.387 0.063 1.00 0.00 H new ATOM 364 N GLU A 22 -3.410 -16.426 -0.235 1.00 0.00 N ATOM 365 CA GLU A 22 -2.623 -15.298 -0.722 1.00 0.00 C ATOM 366 C GLU A 22 -3.147 -13.981 -0.157 1.00 0.00 C ATOM 367 O GLU A 22 -2.374 -13.160 0.335 1.00 0.00 O ATOM 368 CB GLU A 22 -2.637 -15.259 -2.249 1.00 0.00 C ATOM 369 CG GLU A 22 -1.564 -16.124 -2.888 1.00 0.00 C ATOM 370 CD GLU A 22 -2.020 -17.555 -3.104 1.00 0.00 C ATOM 371 OE1 GLU A 22 -1.885 -18.369 -2.167 1.00 0.00 O ATOM 372 OE2 GLU A 22 -2.511 -17.860 -4.212 1.00 0.00 O ATOM 0 H GLU A 22 -3.981 -16.882 -0.947 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.596 -15.431 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.615 -15.586 -2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.506 -14.229 -2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.275 -15.690 -3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.676 -16.121 -2.256 1.00 0.00 H new ATOM 379 N LYS A 23 -4.461 -13.787 -0.217 1.00 0.00 N ATOM 380 CA LYS A 23 -5.064 -12.569 0.309 1.00 0.00 C ATOM 381 C LYS A 23 -4.902 -12.522 1.817 1.00 0.00 C ATOM 382 O LYS A 23 -4.806 -11.448 2.407 1.00 0.00 O ATOM 383 CB LYS A 23 -6.543 -12.486 -0.072 1.00 0.00 C ATOM 384 CG LYS A 23 -7.361 -13.670 0.409 1.00 0.00 C ATOM 385 CD LYS A 23 -8.845 -13.340 0.457 1.00 0.00 C ATOM 386 CE LYS A 23 -9.540 -13.697 -0.845 1.00 0.00 C ATOM 387 NZ LYS A 23 -10.988 -13.349 -0.814 1.00 0.00 N ATOM 0 H LYS A 23 -5.122 -14.451 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.554 -11.711 -0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.966 -11.571 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.627 -12.413 -1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.197 -14.520 -0.254 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.022 -13.969 1.401 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.312 -13.881 1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.975 -12.277 0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.058 -13.172 -1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.427 -14.764 -1.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.427 -13.608 -1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.454 -13.869 -0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.096 -12.327 -0.657 1.00 0.00 H new ATOM 401 N ASP A 24 -4.851 -13.697 2.436 1.00 0.00 N ATOM 402 CA ASP A 24 -4.675 -13.783 3.876 1.00 0.00 C ATOM 403 C ASP A 24 -3.329 -13.183 4.264 1.00 0.00 C ATOM 404 O ASP A 24 -3.246 -12.342 5.159 1.00 0.00 O ATOM 405 CB ASP A 24 -4.760 -15.239 4.343 1.00 0.00 C ATOM 406 CG ASP A 24 -5.606 -15.397 5.590 1.00 0.00 C ATOM 407 OD1 ASP A 24 -5.093 -15.121 6.695 1.00 0.00 O ATOM 408 OD2 ASP A 24 -6.783 -15.797 5.464 1.00 0.00 O ATOM 0 H ASP A 24 -4.929 -14.597 1.963 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.472 -13.221 4.363 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.178 -15.850 3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.756 -15.614 4.539 1.00 0.00 H new ATOM 413 N TYR A 25 -2.277 -13.612 3.570 1.00 0.00 N ATOM 414 CA TYR A 25 -0.936 -13.102 3.831 1.00 0.00 C ATOM 415 C TYR A 25 -0.841 -11.637 3.443 1.00 0.00 C ATOM 416 O TYR A 25 -0.350 -10.815 4.217 1.00 0.00 O ATOM 417 CB TYR A 25 0.112 -13.926 3.079 1.00 0.00 C ATOM 418 CG TYR A 25 1.527 -13.425 3.263 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.184 -13.573 4.479 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.207 -12.803 2.222 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.476 -13.116 4.652 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.499 -12.344 2.388 1.00 0.00 C ATOM 423 CZ TYR A 25 4.130 -12.504 3.604 1.00 0.00 C ATOM 424 OH TYR A 25 5.416 -12.047 3.772 1.00 0.00 O ATOM 0 H TYR A 25 -2.328 -14.308 2.826 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.737 -13.190 4.899 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.056 -14.962 3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.130 -13.922 2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.676 -14.053 5.302 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.717 -12.677 1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.972 -13.238 5.604 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.013 -11.862 1.569 1.00 0.00 H new ATOM 0 HH TYR A 25 5.731 -11.642 2.937 1.00 0.00 H new ATOM 434 N LEU A 26 -1.333 -11.301 2.255 1.00 0.00 N ATOM 435 CA LEU A 26 -1.312 -9.916 1.809 1.00 0.00 C ATOM 436 C LEU A 26 -2.053 -9.071 2.825 1.00 0.00 C ATOM 437 O LEU A 26 -1.622 -7.971 3.172 1.00 0.00 O ATOM 438 CB LEU A 26 -1.945 -9.775 0.422 1.00 0.00 C ATOM 439 CG LEU A 26 -2.122 -8.336 -0.066 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.789 -7.757 -0.518 1.00 0.00 C ATOM 441 CD2 LEU A 26 -3.141 -8.279 -1.196 1.00 0.00 C ATOM 0 H LEU A 26 -1.745 -11.959 1.594 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.279 -9.576 1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.329 -10.313 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.921 -10.261 0.433 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.493 -7.734 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.935 -6.733 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.088 -7.763 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.388 -8.360 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.255 -7.248 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.798 -8.895 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.101 -8.653 -0.840 1.00 0.00 H new ATOM 453 N TYR A 27 -3.147 -9.622 3.339 1.00 0.00 N ATOM 454 CA TYR A 27 -3.916 -8.940 4.365 1.00 0.00 C ATOM 455 C TYR A 27 -3.030 -8.744 5.587 1.00 0.00 C ATOM 456 O TYR A 27 -3.128 -7.735 6.287 1.00 0.00 O ATOM 457 CB TYR A 27 -5.164 -9.743 4.735 1.00 0.00 C ATOM 458 CG TYR A 27 -6.417 -9.273 4.028 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.828 -7.949 4.113 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.186 -10.153 3.277 1.00 0.00 C ATOM 461 CE1 TYR A 27 -7.970 -7.514 3.468 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.330 -9.726 2.630 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.717 -8.406 2.727 1.00 0.00 C ATOM 464 OH TYR A 27 -9.856 -7.979 2.084 1.00 0.00 O ATOM 0 H TYR A 27 -3.516 -10.532 3.063 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.246 -7.972 3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.994 -10.793 4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.320 -9.682 5.812 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.246 -7.248 4.693 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.885 -11.187 3.198 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.276 -6.481 3.544 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.918 -10.423 2.051 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.758 -7.035 1.838 1.00 0.00 H new ATOM 474 N ASP A 28 -2.140 -9.713 5.823 1.00 0.00 N ATOM 475 CA ASP A 28 -1.214 -9.640 6.941 1.00 0.00 C ATOM 476 C ASP A 28 -0.144 -8.591 6.666 1.00 0.00 C ATOM 477 O ASP A 28 0.301 -7.890 7.577 1.00 0.00 O ATOM 478 CB ASP A 28 -0.565 -11.003 7.189 1.00 0.00 C ATOM 479 CG ASP A 28 -0.409 -11.311 8.664 1.00 0.00 C ATOM 480 OD1 ASP A 28 -1.357 -11.043 9.431 1.00 0.00 O ATOM 481 OD2 ASP A 28 0.664 -11.819 9.054 1.00 0.00 O ATOM 0 H ASP A 28 -2.047 -10.553 5.252 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.769 -9.354 7.834 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.169 -11.780 6.721 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.414 -11.028 6.710 1.00 0.00 H new ATOM 486 N VAL A 29 0.263 -8.477 5.401 1.00 0.00 N ATOM 487 CA VAL A 29 1.275 -7.502 5.020 1.00 0.00 C ATOM 488 C VAL A 29 0.775 -6.085 5.273 1.00 0.00 C ATOM 489 O VAL A 29 1.486 -5.257 5.843 1.00 0.00 O ATOM 490 CB VAL A 29 1.673 -7.643 3.538 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.837 -6.723 3.205 1.00 0.00 C ATOM 492 CG2 VAL A 29 2.020 -9.088 3.214 1.00 0.00 C ATOM 0 H VAL A 29 -0.092 -9.045 4.631 1.00 0.00 H new ATOM 0 HA VAL A 29 2.154 -7.696 5.634 1.00 0.00 H new ATOM 0 HB VAL A 29 0.821 -7.349 2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.102 -6.838 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.550 -5.689 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.695 -6.982 3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.299 -9.168 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.855 -9.410 3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.156 -9.722 3.410 1.00 0.00 H new ATOM 502 N LEU A 30 -0.459 -5.818 4.862 1.00 0.00 N ATOM 503 CA LEU A 30 -1.057 -4.505 5.061 1.00 0.00 C ATOM 504 C LEU A 30 -1.189 -4.214 6.550 1.00 0.00 C ATOM 505 O LEU A 30 -0.924 -3.099 7.007 1.00 0.00 O ATOM 506 CB LEU A 30 -2.427 -4.432 4.386 1.00 0.00 C ATOM 507 CG LEU A 30 -2.411 -4.620 2.867 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.655 -5.364 2.406 1.00 0.00 C ATOM 509 CD2 LEU A 30 -2.303 -3.273 2.167 1.00 0.00 C ATOM 0 H LEU A 30 -1.063 -6.491 4.390 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.409 -3.754 4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.072 -5.193 4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.876 -3.465 4.613 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.539 -5.218 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.625 -5.488 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.690 -6.344 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.543 -4.794 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.293 -3.424 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.157 -2.652 2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.382 -2.777 2.473 1.00 0.00 H new ATOM 521 N ARG A 31 -1.588 -5.233 7.305 1.00 0.00 N ATOM 522 CA ARG A 31 -1.744 -5.101 8.748 1.00 0.00 C ATOM 523 C ARG A 31 -0.451 -4.598 9.376 1.00 0.00 C ATOM 524 O ARG A 31 -0.469 -3.757 10.276 1.00 0.00 O ATOM 525 CB ARG A 31 -2.138 -6.442 9.369 1.00 0.00 C ATOM 526 CG ARG A 31 -2.444 -6.358 10.856 1.00 0.00 C ATOM 527 CD ARG A 31 -1.796 -7.499 11.626 1.00 0.00 C ATOM 528 NE ARG A 31 -2.692 -8.646 11.759 1.00 0.00 N ATOM 529 CZ ARG A 31 -2.281 -9.873 12.069 1.00 0.00 C ATOM 530 NH1 ARG A 31 -0.992 -10.117 12.279 1.00 0.00 N ATOM 531 NH2 ARG A 31 -3.160 -10.862 12.169 1.00 0.00 N ATOM 0 H ARG A 31 -1.809 -6.160 6.940 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.536 -4.378 8.943 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.013 -6.831 8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.330 -7.157 9.213 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.088 -5.405 11.248 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.523 -6.382 11.008 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.884 -7.809 11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.505 -7.149 12.616 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.689 -8.497 11.605 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.311 -9.362 12.203 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.683 -11.060 12.516 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.151 -10.682 12.008 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.845 -11.802 12.407 1.00 0.00 H new ATOM 545 N MET A 32 0.674 -5.111 8.886 1.00 0.00 N ATOM 546 CA MET A 32 1.978 -4.705 9.391 1.00 0.00 C ATOM 547 C MET A 32 2.243 -3.239 9.058 1.00 0.00 C ATOM 548 O MET A 32 2.625 -2.455 9.924 1.00 0.00 O ATOM 549 CB MET A 32 3.078 -5.586 8.794 1.00 0.00 C ATOM 550 CG MET A 32 3.489 -6.737 9.696 1.00 0.00 C ATOM 551 SD MET A 32 5.237 -7.153 9.539 1.00 0.00 S ATOM 552 CE MET A 32 5.876 -6.518 11.087 1.00 0.00 C ATOM 0 H MET A 32 0.707 -5.807 8.141 1.00 0.00 H new ATOM 0 HA MET A 32 1.982 -4.825 10.474 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.734 -5.987 7.841 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.952 -4.970 8.584 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.273 -6.476 10.732 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.888 -7.614 9.456 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.960 -6.421 11.021 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.436 -5.542 11.289 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.622 -7.205 11.895 1.00 0.00 H new ATOM 562 N TYR A 33 2.029 -2.877 7.795 1.00 0.00 N ATOM 563 CA TYR A 33 2.238 -1.506 7.346 1.00 0.00 C ATOM 564 C TYR A 33 1.410 -0.528 8.175 1.00 0.00 C ATOM 565 O TYR A 33 1.748 0.648 8.288 1.00 0.00 O ATOM 566 CB TYR A 33 1.877 -1.377 5.866 1.00 0.00 C ATOM 567 CG TYR A 33 2.035 0.026 5.320 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.285 0.629 5.259 1.00 0.00 C ATOM 569 CD2 TYR A 33 0.936 0.743 4.866 1.00 0.00 C ATOM 570 CE1 TYR A 33 3.434 1.910 4.759 1.00 0.00 C ATOM 571 CE2 TYR A 33 1.077 2.023 4.366 1.00 0.00 C ATOM 572 CZ TYR A 33 2.327 2.601 4.315 1.00 0.00 C ATOM 573 OH TYR A 33 2.471 3.876 3.818 1.00 0.00 O ATOM 0 H TYR A 33 1.711 -3.515 7.066 1.00 0.00 H new ATOM 0 HA TYR A 33 3.291 -1.260 7.480 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.505 -2.055 5.288 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.845 -1.698 5.724 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.153 0.090 5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.045 0.293 4.904 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.412 2.366 4.717 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.212 2.568 4.017 1.00 0.00 H new ATOM 0 HH TYR A 33 3.352 4.227 4.067 1.00 0.00 H new ATOM 583 N HIS A 34 0.319 -1.015 8.754 1.00 0.00 N ATOM 584 CA HIS A 34 -0.544 -0.171 9.568 1.00 0.00 C ATOM 585 C HIS A 34 0.099 0.134 10.918 1.00 0.00 C ATOM 586 O HIS A 34 0.116 1.282 11.364 1.00 0.00 O ATOM 587 CB HIS A 34 -1.897 -0.850 9.782 1.00 0.00 C ATOM 588 CG HIS A 34 -2.923 0.044 10.406 1.00 0.00 C ATOM 589 ND1 HIS A 34 -3.234 0.013 11.750 1.00 0.00 N ATOM 590 CD2 HIS A 34 -3.714 1.001 9.863 1.00 0.00 C ATOM 591 CE1 HIS A 34 -4.168 0.909 12.006 1.00 0.00 C ATOM 592 NE2 HIS A 34 -4.477 1.522 10.878 1.00 0.00 N ATOM 0 H HIS A 34 0.013 -1.985 8.675 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.691 0.769 9.037 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.272 -1.205 8.822 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.758 -1.727 10.414 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -2.808 -0.607 12.439 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.739 1.298 8.825 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.605 1.107 12.973 1.00 0.00 H new ATOM 601 N GLN A 35 0.609 -0.903 11.575 1.00 0.00 N ATOM 602 CA GLN A 35 1.234 -0.752 12.886 1.00 0.00 C ATOM 603 C GLN A 35 2.656 -0.202 12.798 1.00 0.00 C ATOM 604 O GLN A 35 2.951 0.869 13.332 1.00 0.00 O ATOM 605 CB GLN A 35 1.243 -2.098 13.617 1.00 0.00 C ATOM 606 CG GLN A 35 0.604 -2.044 14.994 1.00 0.00 C ATOM 607 CD GLN A 35 0.841 -3.308 15.796 1.00 0.00 C ATOM 608 OE1 GLN A 35 1.964 -3.806 15.876 1.00 0.00 O ATOM 609 NE2 GLN A 35 -0.220 -3.836 16.398 1.00 0.00 N ATOM 0 H GLN A 35 0.602 -1.859 11.221 1.00 0.00 H new ATOM 0 HA GLN A 35 0.641 -0.027 13.443 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.718 -2.836 13.010 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.273 -2.442 13.716 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.002 -1.190 15.542 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.469 -1.882 14.887 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.133 -3.391 16.306 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.121 -4.686 16.952 1.00 0.00 H new ATOM 618 N THR A 36 3.538 -0.951 12.150 1.00 0.00 N ATOM 619 CA THR A 36 4.940 -0.554 12.024 1.00 0.00 C ATOM 620 C THR A 36 5.145 0.529 10.967 1.00 0.00 C ATOM 621 O THR A 36 6.051 1.354 11.086 1.00 0.00 O ATOM 622 CB THR A 36 5.807 -1.770 11.696 1.00 0.00 C ATOM 623 OG1 THR A 36 7.121 -1.370 11.347 1.00 0.00 O ATOM 624 CG2 THR A 36 5.266 -2.605 10.557 1.00 0.00 C ATOM 0 H THR A 36 3.310 -1.838 11.702 1.00 0.00 H new ATOM 0 HA THR A 36 5.241 -0.136 12.984 1.00 0.00 H new ATOM 0 HB THR A 36 5.804 -2.376 12.602 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.661 -2.162 11.142 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.930 -3.451 10.378 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.273 -2.972 10.815 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.205 -1.995 9.656 1.00 0.00 H new ATOM 632 N MET A 37 4.314 0.523 9.931 1.00 0.00 N ATOM 633 CA MET A 37 4.429 1.509 8.860 1.00 0.00 C ATOM 634 C MET A 37 5.756 1.357 8.123 1.00 0.00 C ATOM 635 O MET A 37 6.483 2.329 7.919 1.00 0.00 O ATOM 636 CB MET A 37 4.297 2.930 9.420 1.00 0.00 C ATOM 637 CG MET A 37 2.942 3.212 10.048 1.00 0.00 C ATOM 638 SD MET A 37 1.894 4.248 9.008 1.00 0.00 S ATOM 639 CE MET A 37 0.462 3.191 8.809 1.00 0.00 C ATOM 0 H MET A 37 3.557 -0.149 9.809 1.00 0.00 H new ATOM 0 HA MET A 37 3.619 1.334 8.152 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.075 3.091 10.166 1.00 0.00 H new ATOM 0 HB3 MET A 37 4.472 3.646 8.617 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.433 2.268 10.243 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.087 3.701 11.011 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.445 3.770 8.986 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.444 2.789 7.796 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.514 2.370 9.524 1.00 0.00 H new ATOM 649 N ASP A 38 6.064 0.126 7.726 1.00 0.00 N ATOM 650 CA ASP A 38 7.300 -0.163 7.010 1.00 0.00 C ATOM 651 C ASP A 38 7.026 -0.420 5.532 1.00 0.00 C ATOM 652 O ASP A 38 6.460 -1.449 5.163 1.00 0.00 O ATOM 653 CB ASP A 38 8.004 -1.370 7.629 1.00 0.00 C ATOM 654 CG ASP A 38 7.060 -2.536 7.863 1.00 0.00 C ATOM 655 OD1 ASP A 38 5.896 -2.458 7.416 1.00 0.00 O ATOM 656 OD2 ASP A 38 7.486 -3.528 8.490 1.00 0.00 O ATOM 0 H ASP A 38 5.472 -0.689 7.889 1.00 0.00 H new ATOM 0 HA ASP A 38 7.950 0.708 7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.815 -1.689 6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.456 -1.077 8.577 1.00 0.00 H new ATOM 661 N VAL A 39 7.433 0.525 4.693 1.00 0.00 N ATOM 662 CA VAL A 39 7.235 0.409 3.250 1.00 0.00 C ATOM 663 C VAL A 39 8.204 -0.595 2.636 1.00 0.00 C ATOM 664 O VAL A 39 7.914 -1.202 1.603 1.00 0.00 O ATOM 665 CB VAL A 39 7.408 1.763 2.527 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.062 2.445 2.337 1.00 0.00 C ATOM 667 CG2 VAL A 39 8.375 2.674 3.274 1.00 0.00 C ATOM 0 H VAL A 39 7.903 1.382 4.986 1.00 0.00 H new ATOM 0 HA VAL A 39 6.210 0.064 3.114 1.00 0.00 H new ATOM 0 HB VAL A 39 7.836 1.563 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.205 3.397 1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.412 1.807 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.603 2.621 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.473 3.618 2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.994 2.865 4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.350 2.192 3.342 1.00 0.00 H new ATOM 677 N ALA A 40 9.352 -0.765 3.277 1.00 0.00 N ATOM 678 CA ALA A 40 10.362 -1.694 2.798 1.00 0.00 C ATOM 679 C ALA A 40 9.893 -3.126 2.976 1.00 0.00 C ATOM 680 O ALA A 40 10.250 -4.010 2.198 1.00 0.00 O ATOM 681 CB ALA A 40 11.679 -1.468 3.526 1.00 0.00 C ATOM 0 H ALA A 40 9.606 -0.270 4.132 1.00 0.00 H new ATOM 0 HA ALA A 40 10.521 -1.515 1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.425 -2.172 3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.022 -0.449 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.535 -1.622 4.595 1.00 0.00 H new ATOM 687 N VAL A 41 9.081 -3.346 4.003 1.00 0.00 N ATOM 688 CA VAL A 41 8.557 -4.670 4.275 1.00 0.00 C ATOM 689 C VAL A 41 7.391 -4.990 3.344 1.00 0.00 C ATOM 690 O VAL A 41 7.311 -6.084 2.785 1.00 0.00 O ATOM 691 CB VAL A 41 8.103 -4.815 5.742 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.504 -6.193 5.990 1.00 0.00 C ATOM 693 CG2 VAL A 41 9.270 -4.558 6.683 1.00 0.00 C ATOM 0 H VAL A 41 8.775 -2.625 4.656 1.00 0.00 H new ATOM 0 HA VAL A 41 9.366 -5.378 4.097 1.00 0.00 H new ATOM 0 HB VAL A 41 7.330 -4.072 5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.191 -6.272 7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.641 -6.337 5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.251 -6.958 5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.935 -4.664 7.715 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.064 -5.278 6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.648 -3.548 6.526 1.00 0.00 H new ATOM 703 N LEU A 42 6.493 -4.023 3.179 1.00 0.00 N ATOM 704 CA LEU A 42 5.333 -4.193 2.312 1.00 0.00 C ATOM 705 C LEU A 42 5.768 -4.568 0.896 1.00 0.00 C ATOM 706 O LEU A 42 5.177 -5.447 0.269 1.00 0.00 O ATOM 707 CB LEU A 42 4.505 -2.906 2.285 1.00 0.00 C ATOM 708 CG LEU A 42 3.077 -3.044 2.809 1.00 0.00 C ATOM 709 CD1 LEU A 42 2.388 -1.689 2.838 1.00 0.00 C ATOM 710 CD2 LEU A 42 2.289 -4.025 1.954 1.00 0.00 C ATOM 0 H LEU A 42 6.547 -3.112 3.635 1.00 0.00 H new ATOM 0 HA LEU A 42 4.720 -5.002 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.020 -2.148 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.465 -2.539 1.259 1.00 0.00 H new ATOM 0 HG LEU A 42 3.119 -3.431 3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.372 -1.806 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.941 -1.014 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.357 -1.275 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.274 -4.111 2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.256 -3.666 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.772 -5.002 1.982 1.00 0.00 H new ATOM 722 N VAL A 43 6.803 -3.895 0.402 1.00 0.00 N ATOM 723 CA VAL A 43 7.316 -4.161 -0.937 1.00 0.00 C ATOM 724 C VAL A 43 7.871 -5.578 -1.039 1.00 0.00 C ATOM 725 O VAL A 43 7.529 -6.324 -1.957 1.00 0.00 O ATOM 726 CB VAL A 43 8.420 -3.159 -1.326 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.837 -3.357 -2.776 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.952 -1.729 -1.091 1.00 0.00 C ATOM 0 H VAL A 43 7.302 -3.163 0.908 1.00 0.00 H new ATOM 0 HA VAL A 43 6.478 -4.050 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 43 9.288 -3.343 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.617 -2.640 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.217 -4.370 -2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.976 -3.203 -3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.745 -1.036 -1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.067 -1.532 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.708 -1.594 -0.037 1.00 0.00 H new ATOM 738 N GLY A 44 8.727 -5.945 -0.090 1.00 0.00 N ATOM 739 CA GLY A 44 9.314 -7.274 -0.093 1.00 0.00 C ATOM 740 C GLY A 44 8.264 -8.364 -0.138 1.00 0.00 C ATOM 741 O GLY A 44 8.304 -9.242 -1.002 1.00 0.00 O ATOM 0 H GLY A 44 9.025 -5.347 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.976 -7.375 -0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.928 -7.400 0.799 1.00 0.00 H new ATOM 745 N ASP A 45 7.314 -8.303 0.788 1.00 0.00 N ATOM 746 CA ASP A 45 6.242 -9.288 0.846 1.00 0.00 C ATOM 747 C ASP A 45 5.431 -9.268 -0.444 1.00 0.00 C ATOM 748 O ASP A 45 5.087 -10.317 -0.992 1.00 0.00 O ATOM 749 CB ASP A 45 5.330 -9.017 2.043 1.00 0.00 C ATOM 750 CG ASP A 45 6.093 -8.958 3.353 1.00 0.00 C ATOM 751 OD1 ASP A 45 7.340 -8.877 3.313 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.444 -8.992 4.421 1.00 0.00 O ATOM 0 H ASP A 45 7.265 -7.582 1.508 1.00 0.00 H new ATOM 0 HA ASP A 45 6.689 -10.275 0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.805 -8.074 1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.572 -9.798 2.102 1.00 0.00 H new ATOM 757 N LEU A 46 5.135 -8.064 -0.930 1.00 0.00 N ATOM 758 CA LEU A 46 4.371 -7.907 -2.161 1.00 0.00 C ATOM 759 C LEU A 46 5.004 -8.717 -3.289 1.00 0.00 C ATOM 760 O LEU A 46 4.305 -9.274 -4.133 1.00 0.00 O ATOM 761 CB LEU A 46 4.285 -6.430 -2.558 1.00 0.00 C ATOM 762 CG LEU A 46 3.046 -5.688 -2.049 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.006 -4.274 -2.608 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.773 -6.441 -2.418 1.00 0.00 C ATOM 0 H LEU A 46 5.413 -7.187 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 46 3.362 -8.279 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.173 -5.918 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.309 -6.361 -3.646 1.00 0.00 H new ATOM 0 HG LEU A 46 3.106 -5.632 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.119 -3.761 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.898 -3.733 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.972 -4.314 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.906 -5.895 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.706 -6.533 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.795 -7.435 -1.970 1.00 0.00 H new ATOM 776 N LYS A 47 6.332 -8.786 -3.288 1.00 0.00 N ATOM 777 CA LYS A 47 7.056 -9.538 -4.305 1.00 0.00 C ATOM 778 C LYS A 47 6.853 -11.035 -4.101 1.00 0.00 C ATOM 779 O LYS A 47 6.492 -11.760 -5.032 1.00 0.00 O ATOM 780 CB LYS A 47 8.547 -9.203 -4.257 1.00 0.00 C ATOM 781 CG LYS A 47 8.856 -7.751 -4.586 1.00 0.00 C ATOM 782 CD LYS A 47 8.392 -7.389 -5.986 1.00 0.00 C ATOM 783 CE LYS A 47 9.246 -6.284 -6.587 1.00 0.00 C ATOM 784 NZ LYS A 47 10.607 -6.769 -6.952 1.00 0.00 N ATOM 0 H LYS A 47 6.927 -8.331 -2.595 1.00 0.00 H new ATOM 0 HA LYS A 47 6.665 -9.258 -5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.930 -9.431 -3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.078 -9.847 -4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.369 -7.100 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.929 -7.577 -4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.435 -8.271 -6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.351 -7.069 -5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.753 -5.886 -7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.332 -5.464 -5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.046 -6.102 -7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.192 -6.837 -6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.534 -7.706 -7.397 1.00 0.00 H new ATOM 798 N LEU A 48 7.078 -11.494 -2.871 1.00 0.00 N ATOM 799 CA LEU A 48 6.912 -12.905 -2.539 1.00 0.00 C ATOM 800 C LEU A 48 5.541 -13.403 -2.982 1.00 0.00 C ATOM 801 O LEU A 48 5.361 -14.588 -3.266 1.00 0.00 O ATOM 802 CB LEU A 48 7.085 -13.122 -1.033 1.00 0.00 C ATOM 803 CG LEU A 48 8.419 -12.644 -0.458 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.372 -12.631 1.062 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.556 -13.526 -0.951 1.00 0.00 C ATOM 0 H LEU A 48 7.375 -10.909 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 48 7.677 -13.472 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.277 -12.607 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.975 -14.185 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 48 8.598 -11.626 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.330 -12.288 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.582 -11.958 1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.170 -13.638 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.498 -13.172 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.382 -14.555 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.604 -13.484 -2.039 1.00 0.00 H new ATOM 817 N VAL A 49 4.580 -12.486 -3.050 1.00 0.00 N ATOM 818 CA VAL A 49 3.228 -12.826 -3.473 1.00 0.00 C ATOM 819 C VAL A 49 3.011 -12.431 -4.930 1.00 0.00 C ATOM 820 O VAL A 49 2.202 -13.036 -5.634 1.00 0.00 O ATOM 821 CB VAL A 49 2.173 -12.127 -2.596 1.00 0.00 C ATOM 822 CG1 VAL A 49 0.773 -12.587 -2.971 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.449 -12.382 -1.122 1.00 0.00 C ATOM 0 H VAL A 49 4.714 -11.502 -2.817 1.00 0.00 H new ATOM 0 HA VAL A 49 3.113 -13.904 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 49 2.236 -11.053 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.043 -12.081 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.578 -12.346 -4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.693 -13.664 -2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.693 -11.880 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.417 -13.454 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.435 -11.995 -0.864 1.00 0.00 H new ATOM 833 N ILE A 50 3.742 -11.413 -5.373 1.00 0.00 N ATOM 834 CA ILE A 50 3.637 -10.931 -6.744 1.00 0.00 C ATOM 835 C ILE A 50 4.824 -11.398 -7.583 1.00 0.00 C ATOM 836 O ILE A 50 5.181 -10.776 -8.584 1.00 0.00 O ATOM 837 CB ILE A 50 3.540 -9.392 -6.787 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.346 -8.914 -5.964 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.426 -8.894 -8.220 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.437 -7.461 -5.557 1.00 0.00 C ATOM 0 H ILE A 50 4.415 -10.905 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 50 2.724 -11.350 -7.166 1.00 0.00 H new ATOM 0 HB ILE A 50 4.453 -8.981 -6.356 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.434 -9.065 -6.541 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.263 -9.529 -5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.359 -7.806 -8.223 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.305 -9.205 -8.784 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.532 -9.314 -8.681 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.556 -7.190 -4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.331 -7.308 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.490 -6.836 -6.448 1.00 0.00 H new ATOM 852 N ASN A 51 5.430 -12.502 -7.168 1.00 0.00 N ATOM 853 CA ASN A 51 6.573 -13.067 -7.880 1.00 0.00 C ATOM 854 C ASN A 51 6.304 -13.134 -9.383 1.00 0.00 C ATOM 855 O ASN A 51 7.229 -13.067 -10.193 1.00 0.00 O ATOM 856 CB ASN A 51 6.894 -14.463 -7.342 1.00 0.00 C ATOM 857 CG ASN A 51 8.372 -14.650 -7.061 1.00 0.00 C ATOM 858 OD1 ASN A 51 9.046 -15.440 -7.723 1.00 0.00 O ATOM 859 ND2 ASN A 51 8.884 -13.923 -6.076 1.00 0.00 N ATOM 0 H ASN A 51 5.150 -13.027 -6.340 1.00 0.00 H new ATOM 0 HA ASN A 51 7.431 -12.415 -7.715 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.329 -14.635 -6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 51 6.567 -15.211 -8.064 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.873 -14.007 -5.841 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.288 -13.281 -5.553 1.00 0.00 H new ATOM 866 N GLU A 52 5.031 -13.260 -9.747 1.00 0.00 N ATOM 867 CA GLU A 52 4.639 -13.329 -11.150 1.00 0.00 C ATOM 868 C GLU A 52 4.148 -11.968 -11.641 1.00 0.00 C ATOM 869 O GLU A 52 3.706 -11.137 -10.847 1.00 0.00 O ATOM 870 CB GLU A 52 3.544 -14.379 -11.344 1.00 0.00 C ATOM 871 CG GLU A 52 4.082 -15.769 -11.651 1.00 0.00 C ATOM 872 CD GLU A 52 3.268 -16.489 -12.707 1.00 0.00 C ATOM 873 OE1 GLU A 52 2.957 -15.867 -13.745 1.00 0.00 O ATOM 874 OE2 GLU A 52 2.940 -17.676 -12.497 1.00 0.00 O ATOM 0 H GLU A 52 4.254 -13.316 -9.089 1.00 0.00 H new ATOM 0 HA GLU A 52 5.513 -13.615 -11.735 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.933 -14.426 -10.443 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.890 -14.064 -12.157 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.116 -15.688 -11.987 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.089 -16.362 -10.736 1.00 0.00 H new ATOM 881 N PRO A 53 4.223 -11.721 -12.959 1.00 0.00 N ATOM 882 CA PRO A 53 3.788 -10.452 -13.551 1.00 0.00 C ATOM 883 C PRO A 53 2.275 -10.259 -13.492 1.00 0.00 C ATOM 884 O PRO A 53 1.783 -9.133 -13.551 1.00 0.00 O ATOM 885 CB PRO A 53 4.255 -10.556 -15.002 1.00 0.00 C ATOM 886 CG PRO A 53 4.324 -12.014 -15.268 1.00 0.00 C ATOM 887 CD PRO A 53 4.740 -12.654 -13.974 1.00 0.00 C ATOM 0 HA PRO A 53 4.200 -9.598 -13.014 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.558 -10.062 -15.679 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.226 -10.081 -15.141 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.358 -12.396 -15.599 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.041 -12.232 -16.059 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.312 -13.650 -13.861 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.823 -12.763 -13.908 1.00 0.00 H new ATOM 895 N SER A 54 1.543 -11.362 -13.380 1.00 0.00 N ATOM 896 CA SER A 54 0.086 -11.308 -13.319 1.00 0.00 C ATOM 897 C SER A 54 -0.385 -10.512 -12.104 1.00 0.00 C ATOM 898 O SER A 54 -1.391 -9.806 -12.165 1.00 0.00 O ATOM 899 CB SER A 54 -0.496 -12.722 -13.274 1.00 0.00 C ATOM 900 OG SER A 54 -1.876 -12.716 -13.587 1.00 0.00 O ATOM 0 H SER A 54 1.933 -12.303 -13.330 1.00 0.00 H new ATOM 0 HA SER A 54 -0.269 -10.803 -14.217 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.037 -13.360 -13.979 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.347 -13.148 -12.282 1.00 0.00 H new ATOM 0 HG SER A 54 -2.223 -13.632 -13.553 1.00 0.00 H new ATOM 906 N ARG A 55 0.346 -10.636 -11.000 1.00 0.00 N ATOM 907 CA ARG A 55 -0.001 -9.932 -9.769 1.00 0.00 C ATOM 908 C ARG A 55 0.627 -8.538 -9.718 1.00 0.00 C ATOM 909 O ARG A 55 0.667 -7.907 -8.663 1.00 0.00 O ATOM 910 CB ARG A 55 0.445 -10.747 -8.554 1.00 0.00 C ATOM 911 CG ARG A 55 -0.277 -12.078 -8.416 1.00 0.00 C ATOM 912 CD ARG A 55 0.672 -13.251 -8.607 1.00 0.00 C ATOM 913 NE ARG A 55 -0.008 -14.535 -8.447 1.00 0.00 N ATOM 914 CZ ARG A 55 -0.291 -15.083 -7.268 1.00 0.00 C ATOM 915 NH1 ARG A 55 0.044 -14.464 -6.142 1.00 0.00 N ATOM 916 NH2 ARG A 55 -0.911 -16.254 -7.213 1.00 0.00 N ATOM 0 H ARG A 55 1.182 -11.217 -10.932 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.084 -9.812 -9.751 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.517 -10.930 -8.624 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.280 -10.158 -7.652 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.741 -12.141 -7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.080 -12.135 -9.151 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.119 -13.198 -9.600 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.487 -13.180 -7.887 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.282 -15.041 -9.289 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.521 -13.563 -6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.176 -14.889 -5.241 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.171 -16.734 -8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.128 -16.674 -6.309 1.00 0.00 H new ATOM 930 N LEU A 56 1.119 -8.060 -10.859 1.00 0.00 N ATOM 931 CA LEU A 56 1.743 -6.743 -10.936 1.00 0.00 C ATOM 932 C LEU A 56 0.796 -5.637 -10.460 1.00 0.00 C ATOM 933 O LEU A 56 1.192 -4.765 -9.686 1.00 0.00 O ATOM 934 CB LEU A 56 2.193 -6.456 -12.371 1.00 0.00 C ATOM 935 CG LEU A 56 3.609 -6.921 -12.711 1.00 0.00 C ATOM 936 CD1 LEU A 56 3.763 -7.102 -14.212 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.634 -5.929 -12.183 1.00 0.00 C ATOM 0 H LEU A 56 1.097 -8.567 -11.744 1.00 0.00 H new ATOM 0 HA LEU A 56 2.609 -6.751 -10.275 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.495 -6.936 -13.057 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.127 -5.383 -12.548 1.00 0.00 H new ATOM 0 HG LEU A 56 3.783 -7.884 -12.230 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.777 -7.433 -14.436 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.051 -7.849 -14.563 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.572 -6.154 -14.714 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.637 -6.274 -12.433 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.463 -4.953 -12.637 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.538 -5.848 -11.100 1.00 0.00 H new ATOM 949 N PRO A 57 -0.469 -5.647 -10.926 1.00 0.00 N ATOM 950 CA PRO A 57 -1.463 -4.632 -10.554 1.00 0.00 C ATOM 951 C PRO A 57 -1.465 -4.296 -9.064 1.00 0.00 C ATOM 952 O PRO A 57 -1.864 -3.198 -8.672 1.00 0.00 O ATOM 953 CB PRO A 57 -2.782 -5.287 -10.957 1.00 0.00 C ATOM 954 CG PRO A 57 -2.427 -6.140 -12.125 1.00 0.00 C ATOM 955 CD PRO A 57 -1.029 -6.641 -11.866 1.00 0.00 C ATOM 0 HA PRO A 57 -1.263 -3.677 -11.040 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.197 -5.881 -10.142 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.532 -4.542 -11.222 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.126 -6.970 -12.228 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.471 -5.569 -13.052 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.036 -7.642 -11.434 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.446 -6.695 -12.786 1.00 0.00 H new ATOM 963 N LEU A 58 -1.027 -5.236 -8.231 1.00 0.00 N ATOM 964 CA LEU A 58 -0.992 -5.018 -6.786 1.00 0.00 C ATOM 965 C LEU A 58 -0.223 -3.746 -6.436 1.00 0.00 C ATOM 966 O LEU A 58 -0.696 -2.922 -5.653 1.00 0.00 O ATOM 967 CB LEU A 58 -0.363 -6.220 -6.078 1.00 0.00 C ATOM 968 CG LEU A 58 -1.279 -6.933 -5.081 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.609 -8.188 -4.544 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.653 -5.998 -3.940 1.00 0.00 C ATOM 0 H LEU A 58 -0.693 -6.152 -8.529 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.020 -4.901 -6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.041 -6.939 -6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.532 -5.886 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.192 -7.226 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.275 -8.682 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.390 -8.865 -5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.319 -7.918 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.305 -6.521 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.749 -5.675 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.173 -5.127 -4.339 1.00 0.00 H new ATOM 982 N PHE A 59 0.961 -3.591 -7.016 1.00 0.00 N ATOM 983 CA PHE A 59 1.792 -2.417 -6.759 1.00 0.00 C ATOM 984 C PHE A 59 1.010 -1.128 -6.996 1.00 0.00 C ATOM 985 O PHE A 59 0.980 -0.238 -6.140 1.00 0.00 O ATOM 986 CB PHE A 59 3.034 -2.438 -7.653 1.00 0.00 C ATOM 987 CG PHE A 59 3.766 -3.750 -7.640 1.00 0.00 C ATOM 988 CD1 PHE A 59 4.052 -4.388 -6.443 1.00 0.00 C ATOM 989 CD2 PHE A 59 4.168 -4.345 -8.825 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.727 -5.594 -6.429 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.843 -5.551 -8.817 1.00 0.00 C ATOM 992 CZ PHE A 59 5.123 -6.175 -7.618 1.00 0.00 C ATOM 0 H PHE A 59 1.369 -4.262 -7.667 1.00 0.00 H new ATOM 0 HA PHE A 59 2.100 -2.448 -5.714 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.738 -2.207 -8.676 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.715 -1.649 -7.333 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.744 -3.938 -5.511 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.951 -3.861 -9.766 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.944 -6.081 -5.490 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.151 -6.005 -9.748 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.651 -7.117 -7.610 1.00 0.00 H new ATOM 1002 N ASP A 60 0.372 -1.035 -8.157 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.414 0.142 -8.504 1.00 0.00 C ATOM 1004 C ASP A 60 -1.724 0.159 -7.728 1.00 0.00 C ATOM 1005 O ASP A 60 -2.317 1.211 -7.513 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.694 0.171 -10.010 1.00 0.00 C ATOM 1007 CG ASP A 60 -0.072 1.375 -10.688 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -0.173 2.490 -10.132 1.00 0.00 O ATOM 1009 OD2 ASP A 60 0.516 1.206 -11.777 1.00 0.00 O ATOM 0 H ASP A 60 0.384 -1.761 -8.874 1.00 0.00 H new ATOM 0 HA ASP A 60 0.160 1.029 -8.236 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.308 -0.740 -10.467 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.771 0.179 -10.177 1.00 0.00 H new ATOM 1014 N ALA A 61 -2.171 -1.020 -7.317 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.409 -1.154 -6.563 1.00 0.00 C ATOM 1016 C ALA A 61 -3.286 -0.542 -5.167 1.00 0.00 C ATOM 1017 O ALA A 61 -4.145 0.228 -4.737 1.00 0.00 O ATOM 1018 CB ALA A 61 -3.791 -2.621 -6.466 1.00 0.00 C ATOM 0 H ALA A 61 -1.691 -1.902 -7.495 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.191 -0.609 -7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.718 -2.719 -5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.932 -3.027 -7.468 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.998 -3.171 -5.960 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.220 -0.911 -4.459 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.984 -0.427 -3.100 1.00 0.00 C ATOM 1026 C ILE A 62 -1.498 1.022 -3.066 1.00 0.00 C ATOM 1027 O ILE A 62 -1.824 1.768 -2.143 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.958 -1.313 -2.364 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.328 -2.791 -2.511 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -0.877 -0.928 -0.894 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.323 -3.728 -1.877 1.00 0.00 C ATOM 0 H ILE A 62 -1.502 -1.547 -4.806 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.949 -0.477 -2.595 1.00 0.00 H new ATOM 0 HB ILE A 62 0.022 -1.154 -2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.306 -2.960 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.420 -3.031 -3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.148 -1.564 -0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.570 0.114 -0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.854 -1.059 -0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.647 -4.759 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.651 -3.587 -2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.248 -3.514 -0.811 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.701 1.409 -4.054 1.00 0.00 N ATOM 1044 CA ARG A 63 -0.148 2.765 -4.114 1.00 0.00 C ATOM 1045 C ARG A 63 -1.186 3.840 -3.767 1.00 0.00 C ATOM 1046 O ARG A 63 -0.951 4.675 -2.894 1.00 0.00 O ATOM 1047 CB ARG A 63 0.433 3.034 -5.506 1.00 0.00 C ATOM 1048 CG ARG A 63 1.934 3.262 -5.506 1.00 0.00 C ATOM 1049 CD ARG A 63 2.328 4.410 -6.421 1.00 0.00 C ATOM 1050 NE ARG A 63 2.829 3.937 -7.710 1.00 0.00 N ATOM 1051 CZ ARG A 63 2.944 4.708 -8.789 1.00 0.00 C ATOM 1052 NH1 ARG A 63 2.595 5.988 -8.740 1.00 0.00 N ATOM 1053 NH2 ARG A 63 3.408 4.198 -9.921 1.00 0.00 N ATOM 0 H ARG A 63 -0.420 0.806 -4.827 1.00 0.00 H new ATOM 0 HA ARG A 63 0.641 2.822 -3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.202 2.190 -6.156 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.059 3.908 -5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.270 3.474 -4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.440 2.351 -5.826 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.466 5.057 -6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.093 5.015 -5.935 1.00 0.00 H new ATOM 0 HE ARG A 63 3.107 2.959 -7.787 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.236 6.386 -7.872 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.686 6.573 -9.570 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.677 3.215 -9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.496 4.788 -10.748 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.341 3.846 -4.454 1.00 0.00 N ATOM 1068 CA PRO A 64 -3.399 4.834 -4.221 1.00 0.00 C ATOM 1069 C PRO A 64 -3.647 5.121 -2.741 1.00 0.00 C ATOM 1070 O PRO A 64 -3.616 6.275 -2.315 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.622 4.168 -4.846 1.00 0.00 C ATOM 1072 CG PRO A 64 -4.071 3.349 -5.962 1.00 0.00 C ATOM 1073 CD PRO A 64 -2.699 2.901 -5.524 1.00 0.00 C ATOM 0 HA PRO A 64 -3.144 5.806 -4.643 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.150 3.548 -4.122 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.334 4.908 -5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.712 2.492 -6.168 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.014 3.933 -6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.712 1.873 -5.161 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.985 2.940 -6.347 1.00 0.00 H new ATOM 1081 N LEU A 65 -3.890 4.074 -1.960 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.136 4.238 -0.530 1.00 0.00 C ATOM 1083 C LEU A 65 -2.843 4.555 0.215 1.00 0.00 C ATOM 1084 O LEU A 65 -2.862 5.185 1.271 1.00 0.00 O ATOM 1085 CB LEU A 65 -4.790 2.986 0.058 1.00 0.00 C ATOM 1086 CG LEU A 65 -3.991 1.694 -0.112 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.053 0.857 1.158 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.513 0.901 -1.300 1.00 0.00 C ATOM 0 H LEU A 65 -3.922 3.109 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.820 5.078 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.962 3.151 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.767 2.854 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.949 1.954 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.479 -0.059 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.634 1.425 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.091 0.605 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.934 -0.016 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.562 0.651 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.418 1.499 -2.206 1.00 0.00 H new ATOM 1100 N ILE A 66 -1.721 4.115 -0.344 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.418 4.352 0.267 1.00 0.00 C ATOM 1102 C ILE A 66 -0.064 5.841 0.243 1.00 0.00 C ATOM 1103 O ILE A 66 -0.154 6.489 -0.799 1.00 0.00 O ATOM 1104 CB ILE A 66 0.689 3.549 -0.457 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.565 2.058 -0.135 1.00 0.00 C ATOM 1106 CG2 ILE A 66 2.074 4.055 -0.072 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.610 1.203 -0.819 1.00 0.00 C ATOM 0 H ILE A 66 -1.687 3.592 -1.219 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.479 4.018 1.303 1.00 0.00 H new ATOM 0 HB ILE A 66 0.559 3.691 -1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.643 1.920 0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.426 1.712 -0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.833 3.473 -0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.168 5.105 -0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.214 3.949 1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.461 0.158 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.518 1.312 -1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.604 1.522 -0.505 1.00 0.00 H new ATOM 1119 N PRO A 67 0.352 6.405 1.397 1.00 0.00 N ATOM 1120 CA PRO A 67 0.726 7.815 1.507 1.00 0.00 C ATOM 1121 C PRO A 67 1.514 8.309 0.315 1.00 0.00 C ATOM 1122 O PRO A 67 2.389 7.627 -0.218 1.00 0.00 O ATOM 1123 CB PRO A 67 1.579 7.881 2.785 1.00 0.00 C ATOM 1124 CG PRO A 67 1.570 6.504 3.380 1.00 0.00 C ATOM 1125 CD PRO A 67 0.494 5.718 2.684 1.00 0.00 C ATOM 0 HA PRO A 67 -0.156 8.454 1.542 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.597 8.197 2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.170 8.608 3.486 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.540 6.024 3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 67 1.378 6.551 4.452 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.779 4.674 2.553 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.438 5.725 3.249 1.00 0.00 H new ATOM 1133 N LEU A 68 1.166 9.513 -0.083 1.00 0.00 N ATOM 1134 CA LEU A 68 1.779 10.183 -1.201 1.00 0.00 C ATOM 1135 C LEU A 68 3.304 10.158 -1.106 1.00 0.00 C ATOM 1136 O LEU A 68 3.989 9.860 -2.085 1.00 0.00 O ATOM 1137 CB LEU A 68 1.262 11.608 -1.198 1.00 0.00 C ATOM 1138 CG LEU A 68 0.192 11.906 -2.242 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -0.288 13.344 -2.121 1.00 0.00 C ATOM 1140 CD2 LEU A 68 0.716 11.627 -3.644 1.00 0.00 C ATOM 0 H LEU A 68 0.436 10.061 0.372 1.00 0.00 H new ATOM 0 HA LEU A 68 1.523 9.676 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.857 11.830 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.102 12.284 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.657 11.247 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.051 13.537 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.709 13.505 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.552 14.022 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.063 11.846 -4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.584 12.256 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.003 10.578 -3.723 1.00 0.00 H new ATOM 1152 N LYS A 69 3.830 10.460 0.076 1.00 0.00 N ATOM 1153 CA LYS A 69 5.273 10.454 0.282 1.00 0.00 C ATOM 1154 C LYS A 69 5.813 9.030 0.184 1.00 0.00 C ATOM 1155 O LYS A 69 6.856 8.784 -0.429 1.00 0.00 O ATOM 1156 CB LYS A 69 5.628 11.062 1.642 1.00 0.00 C ATOM 1157 CG LYS A 69 4.770 10.549 2.790 1.00 0.00 C ATOM 1158 CD LYS A 69 4.056 11.683 3.509 1.00 0.00 C ATOM 1159 CE LYS A 69 3.910 11.394 4.994 1.00 0.00 C ATOM 1160 NZ LYS A 69 2.788 12.164 5.602 1.00 0.00 N ATOM 0 H LYS A 69 3.283 10.710 0.900 1.00 0.00 H new ATOM 0 HA LYS A 69 5.734 11.061 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.675 10.851 1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.527 12.146 1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.035 9.841 2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.396 10.006 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.612 12.611 3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.071 11.832 3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.740 10.327 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.840 11.642 5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.722 11.939 6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.962 13.183 5.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.896 11.908 5.131 1.00 0.00 H new ATOM 1174 N HIS A 70 5.085 8.093 0.785 1.00 0.00 N ATOM 1175 CA HIS A 70 5.475 6.691 0.758 1.00 0.00 C ATOM 1176 C HIS A 70 5.363 6.134 -0.654 1.00 0.00 C ATOM 1177 O HIS A 70 6.070 5.197 -1.018 1.00 0.00 O ATOM 1178 CB HIS A 70 4.605 5.876 1.715 1.00 0.00 C ATOM 1179 CG HIS A 70 4.997 6.023 3.152 1.00 0.00 C ATOM 1180 ND1 HIS A 70 4.762 5.050 4.100 1.00 0.00 N ATOM 1181 CD2 HIS A 70 5.614 7.038 3.803 1.00 0.00 C ATOM 1182 CE1 HIS A 70 5.215 5.460 5.271 1.00 0.00 C ATOM 1183 NE2 HIS A 70 5.736 6.662 5.117 1.00 0.00 N ATOM 0 H HIS A 70 4.222 8.281 1.296 1.00 0.00 H new ATOM 0 HA HIS A 70 6.513 6.618 1.081 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.565 6.181 1.597 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.661 4.823 1.437 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.948 7.969 3.369 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.167 4.906 6.197 1.00 0.00 H new ATOM 0 HE2 HIS A 70 6.161 7.222 5.856 1.00 0.00 H new ATOM 1192 N GLN A 71 4.477 6.724 -1.455 1.00 0.00 N ATOM 1193 CA GLN A 71 4.289 6.288 -2.833 1.00 0.00 C ATOM 1194 C GLN A 71 5.576 6.494 -3.620 1.00 0.00 C ATOM 1195 O GLN A 71 6.033 5.601 -4.335 1.00 0.00 O ATOM 1196 CB GLN A 71 3.143 7.061 -3.487 1.00 0.00 C ATOM 1197 CG GLN A 71 1.767 6.499 -3.164 1.00 0.00 C ATOM 1198 CD GLN A 71 0.644 7.369 -3.693 1.00 0.00 C ATOM 1199 OE1 GLN A 71 0.647 7.612 -4.999 1.00 0.00 O flip ATOM 1200 NE2 GLN A 71 -0.217 7.820 -2.937 1.00 0.00 N flip ATOM 0 H GLN A 71 3.881 7.502 -1.173 1.00 0.00 H new ATOM 0 HA GLN A 71 4.035 5.228 -2.834 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.186 8.101 -3.164 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.283 7.057 -4.568 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.678 5.499 -3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.665 6.397 -2.084 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.182 7.608 -1.940 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.966 8.405 -3.308 1.00 0.00 H new ATOM 1209 N VAL A 72 6.168 7.675 -3.468 1.00 0.00 N ATOM 1210 CA VAL A 72 7.415 7.995 -4.148 1.00 0.00 C ATOM 1211 C VAL A 72 8.514 7.050 -3.688 1.00 0.00 C ATOM 1212 O VAL A 72 9.139 6.368 -4.499 1.00 0.00 O ATOM 1213 CB VAL A 72 7.864 9.440 -3.875 1.00 0.00 C ATOM 1214 CG1 VAL A 72 8.924 9.867 -4.878 1.00 0.00 C ATOM 1215 CG2 VAL A 72 6.676 10.392 -3.904 1.00 0.00 C ATOM 0 H VAL A 72 5.803 8.424 -2.880 1.00 0.00 H new ATOM 0 HA VAL A 72 7.236 7.884 -5.217 1.00 0.00 H new ATOM 0 HB VAL A 72 8.301 9.479 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.230 10.892 -4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.788 9.207 -4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.515 9.808 -5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.019 11.408 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.201 10.352 -4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.956 10.099 -3.140 1.00 0.00 H new ATOM 1225 N GLU A 73 8.734 7.002 -2.374 1.00 0.00 N ATOM 1226 CA GLU A 73 9.749 6.121 -1.811 1.00 0.00 C ATOM 1227 C GLU A 73 9.447 4.682 -2.196 1.00 0.00 C ATOM 1228 O GLU A 73 10.355 3.891 -2.455 1.00 0.00 O ATOM 1229 CB GLU A 73 9.806 6.262 -0.288 1.00 0.00 C ATOM 1230 CG GLU A 73 9.931 7.702 0.185 1.00 0.00 C ATOM 1231 CD GLU A 73 10.721 7.825 1.472 1.00 0.00 C ATOM 1232 OE1 GLU A 73 10.710 6.864 2.270 1.00 0.00 O ATOM 1233 OE2 GLU A 73 11.352 8.882 1.682 1.00 0.00 O ATOM 0 H GLU A 73 8.226 7.559 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 73 10.721 6.404 -2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.906 5.823 0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.653 5.689 0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.414 8.295 -0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.935 8.120 0.333 1.00 0.00 H new ATOM 1240 N TYR A 74 8.160 4.361 -2.269 1.00 0.00 N ATOM 1241 CA TYR A 74 7.732 3.030 -2.668 1.00 0.00 C ATOM 1242 C TYR A 74 8.251 2.749 -4.070 1.00 0.00 C ATOM 1243 O TYR A 74 8.597 1.616 -4.406 1.00 0.00 O ATOM 1244 CB TYR A 74 6.206 2.918 -2.633 1.00 0.00 C ATOM 1245 CG TYR A 74 5.685 1.570 -3.074 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.612 1.239 -4.421 1.00 0.00 C ATOM 1247 CD2 TYR A 74 5.265 0.628 -2.143 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.134 0.007 -4.828 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.788 -0.606 -2.542 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.725 -0.911 -3.885 1.00 0.00 C ATOM 1251 OH TYR A 74 4.249 -2.139 -4.287 1.00 0.00 O ATOM 0 H TYR A 74 7.398 5.005 -2.057 1.00 0.00 H new ATOM 0 HA TYR A 74 8.136 2.296 -1.971 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.859 3.118 -1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.779 3.690 -3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.934 1.955 -5.162 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.312 0.864 -1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.081 -0.235 -5.879 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.466 -1.328 -1.806 1.00 0.00 H new ATOM 0 HH TYR A 74 4.571 -2.335 -5.192 1.00 0.00 H new ATOM 1261 N ASP A 75 8.320 3.807 -4.878 1.00 0.00 N ATOM 1262 CA ASP A 75 8.818 3.695 -6.238 1.00 0.00 C ATOM 1263 C ASP A 75 10.329 3.493 -6.230 1.00 0.00 C ATOM 1264 O ASP A 75 10.867 2.719 -7.020 1.00 0.00 O ATOM 1265 CB ASP A 75 8.461 4.948 -7.043 1.00 0.00 C ATOM 1266 CG ASP A 75 6.985 5.286 -6.958 1.00 0.00 C ATOM 1267 OD1 ASP A 75 6.162 4.349 -6.930 1.00 0.00 O ATOM 1268 OD2 ASP A 75 6.655 6.490 -6.923 1.00 0.00 O ATOM 0 H ASP A 75 8.036 4.749 -4.609 1.00 0.00 H new ATOM 0 HA ASP A 75 8.348 2.832 -6.709 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.046 5.791 -6.677 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.737 4.798 -8.087 1.00 0.00 H new ATOM 1273 N GLN A 76 11.010 4.194 -5.326 1.00 0.00 N ATOM 1274 CA GLN A 76 12.459 4.085 -5.209 1.00 0.00 C ATOM 1275 C GLN A 76 12.873 2.694 -4.730 1.00 0.00 C ATOM 1276 O GLN A 76 13.996 2.254 -4.974 1.00 0.00 O ATOM 1277 CB GLN A 76 12.994 5.147 -4.246 1.00 0.00 C ATOM 1278 CG GLN A 76 13.053 6.541 -4.849 1.00 0.00 C ATOM 1279 CD GLN A 76 12.709 7.626 -3.846 1.00 0.00 C ATOM 1280 OE1 GLN A 76 11.940 8.540 -4.142 1.00 0.00 O ATOM 1281 NE2 GLN A 76 13.281 7.528 -2.652 1.00 0.00 N ATOM 0 H GLN A 76 10.581 4.842 -4.666 1.00 0.00 H new ATOM 0 HA GLN A 76 12.887 4.247 -6.198 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.363 5.171 -3.358 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.993 4.859 -3.919 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.053 6.720 -5.244 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.363 6.598 -5.691 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.912 6.752 -2.451 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.089 8.228 -1.936 1.00 0.00 H new ATOM 1290 N LEU A 77 11.966 2.014 -4.033 1.00 0.00 N ATOM 1291 CA LEU A 77 12.246 0.682 -3.503 1.00 0.00 C ATOM 1292 C LEU A 77 11.882 -0.415 -4.503 1.00 0.00 C ATOM 1293 O LEU A 77 12.499 -1.480 -4.513 1.00 0.00 O ATOM 1294 CB LEU A 77 11.481 0.464 -2.196 1.00 0.00 C ATOM 1295 CG LEU A 77 11.897 1.379 -1.041 1.00 0.00 C ATOM 1296 CD1 LEU A 77 10.676 1.865 -0.276 1.00 0.00 C ATOM 1297 CD2 LEU A 77 12.860 0.657 -0.110 1.00 0.00 C ATOM 0 H LEU A 77 11.031 2.363 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 77 13.318 0.622 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.417 0.606 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.613 -0.572 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 77 12.407 2.248 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.993 2.514 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.023 2.421 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.136 1.009 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.145 1.322 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.375 -0.230 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.750 0.361 -0.665 1.00 0.00 H new ATOM 1398 N ARG B 103 -6.236 7.289 6.044 1.00 0.00 N ATOM 1399 CA ARG B 103 -7.664 7.060 6.223 1.00 0.00 C ATOM 1400 C ARG B 103 -8.133 5.852 5.416 1.00 0.00 C ATOM 1401 O ARG B 103 -8.875 5.009 5.918 1.00 0.00 O ATOM 1402 CB ARG B 103 -8.454 8.302 5.807 1.00 0.00 C ATOM 1403 CG ARG B 103 -9.718 8.519 6.622 1.00 0.00 C ATOM 1404 CD ARG B 103 -9.462 9.419 7.819 1.00 0.00 C ATOM 1405 NE ARG B 103 -10.698 9.981 8.357 1.00 0.00 N ATOM 1406 CZ ARG B 103 -11.532 9.317 9.153 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -11.265 8.065 9.509 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -12.635 9.903 9.598 1.00 0.00 N ATOM 0 HA ARG B 103 -7.843 6.857 7.279 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -7.814 9.179 5.904 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -8.721 8.217 4.754 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -10.488 8.962 5.990 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -10.101 7.558 6.964 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -8.954 8.850 8.598 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -8.793 10.228 7.527 1.00 0.00 H new ATOM 0 HE ARG B 103 -10.936 10.941 8.107 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -10.417 7.609 9.172 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -11.908 7.560 10.119 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -12.845 10.864 9.330 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -13.273 9.392 10.208 1.00 0.00 H new ATOM 1422 N TYR B 104 -7.695 5.777 4.165 1.00 0.00 N ATOM 1423 CA TYR B 104 -8.071 4.673 3.289 1.00 0.00 C ATOM 1424 C TYR B 104 -7.414 3.370 3.736 1.00 0.00 C ATOM 1425 O TYR B 104 -7.970 2.287 3.554 1.00 0.00 O ATOM 1426 CB TYR B 104 -7.679 4.984 1.843 1.00 0.00 C ATOM 1427 CG TYR B 104 -8.495 6.095 1.219 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -8.169 7.427 1.434 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -9.591 5.808 0.416 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -8.913 8.444 0.866 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -10.340 6.819 -0.156 1.00 0.00 C ATOM 1432 CZ TYR B 104 -9.997 8.134 0.071 1.00 0.00 C ATOM 1433 OH TYR B 104 -10.739 9.145 -0.496 1.00 0.00 O ATOM 0 H TYR B 104 -7.079 6.467 3.734 1.00 0.00 H new ATOM 0 HA TYR B 104 -9.153 4.551 3.348 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -6.624 5.258 1.812 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -7.791 4.081 1.243 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -7.320 7.673 2.055 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -9.862 4.778 0.236 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -8.647 9.476 1.044 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -11.190 6.579 -0.778 1.00 0.00 H new ATOM 0 HH TYR B 104 -11.466 8.759 -1.027 1.00 0.00 H new ATOM 1443 N LEU B 105 -6.224 3.483 4.322 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.491 2.313 4.792 1.00 0.00 C ATOM 1445 C LEU B 105 -6.231 1.629 5.938 1.00 0.00 C ATOM 1446 O LEU B 105 -6.479 0.424 5.899 1.00 0.00 O ATOM 1447 CB LEU B 105 -4.087 2.716 5.244 1.00 0.00 C ATOM 1448 CG LEU B 105 -3.168 1.553 5.621 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -2.882 0.684 4.406 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -1.871 2.073 6.223 1.00 0.00 C ATOM 0 H LEU B 105 -5.749 4.371 4.482 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.412 1.608 3.965 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.615 3.287 4.445 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -4.176 3.382 6.102 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.674 0.942 6.369 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -2.227 -0.138 4.693 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -3.818 0.283 4.017 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -2.396 1.283 3.636 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.229 1.232 6.486 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -1.361 2.706 5.497 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -2.093 2.654 7.118 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.583 2.407 6.958 1.00 0.00 N ATOM 1463 CA ARG B 106 -7.296 1.877 8.113 1.00 0.00 C ATOM 1464 C ARG B 106 -8.725 1.495 7.741 1.00 0.00 C ATOM 1465 O ARG B 106 -9.291 0.555 8.298 1.00 0.00 O ATOM 1466 CB ARG B 106 -7.305 2.902 9.250 1.00 0.00 C ATOM 1467 CG ARG B 106 -8.134 4.140 8.953 1.00 0.00 C ATOM 1468 CD ARG B 106 -7.562 5.373 9.633 1.00 0.00 C ATOM 1469 NE ARG B 106 -7.878 5.409 11.058 1.00 0.00 N ATOM 1470 CZ ARG B 106 -7.828 6.512 11.803 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -7.475 7.671 11.260 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -8.131 6.456 13.092 1.00 0.00 N ATOM 0 H ARG B 106 -6.385 3.406 7.007 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.776 0.980 8.450 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -7.690 2.426 10.152 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -6.280 3.205 9.462 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -8.173 4.303 7.876 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -9.159 3.981 9.288 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -6.480 5.390 9.501 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -7.956 6.268 9.152 1.00 0.00 H new ATOM 0 HE ARG B 106 -8.154 4.537 11.510 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -7.241 7.719 10.268 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -7.438 8.513 11.834 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -8.403 5.568 13.514 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -8.093 7.301 13.662 1.00 0.00 H new ATOM 1486 N GLU B 107 -9.303 2.231 6.796 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.667 1.970 6.350 1.00 0.00 C ATOM 1488 C GLU B 107 -10.808 0.541 5.835 1.00 0.00 C ATOM 1489 O GLU B 107 -11.620 -0.236 6.338 1.00 0.00 O ATOM 1490 CB GLU B 107 -11.067 2.962 5.257 1.00 0.00 C ATOM 1491 CG GLU B 107 -12.492 2.779 4.759 1.00 0.00 C ATOM 1492 CD GLU B 107 -13.523 3.015 5.846 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -13.258 3.840 6.746 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -14.594 2.376 5.795 1.00 0.00 O ATOM 0 H GLU B 107 -8.848 3.013 6.325 1.00 0.00 H new ATOM 0 HA GLU B 107 -11.332 2.095 7.204 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -10.952 3.976 5.639 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -10.381 2.859 4.416 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -12.676 3.466 3.933 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -12.609 1.769 4.365 1.00 0.00 H new ATOM 1501 N ALA B 108 -10.008 0.200 4.828 1.00 0.00 N ATOM 1502 CA ALA B 108 -10.041 -1.136 4.246 1.00 0.00 C ATOM 1503 C ALA B 108 -9.475 -2.166 5.216 1.00 0.00 C ATOM 1504 O ALA B 108 -10.006 -3.270 5.349 1.00 0.00 O ATOM 1505 CB ALA B 108 -9.265 -1.160 2.938 1.00 0.00 C ATOM 0 H ALA B 108 -9.330 0.830 4.400 1.00 0.00 H new ATOM 0 HA ALA B 108 -11.080 -1.394 4.044 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -9.298 -2.164 2.514 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -9.712 -0.455 2.237 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -8.229 -0.878 3.125 1.00 0.00 H new ATOM 1511 N ILE B 109 -8.392 -1.797 5.894 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.749 -2.683 6.857 1.00 0.00 C ATOM 1513 C ILE B 109 -8.741 -3.133 7.931 1.00 0.00 C ATOM 1514 O ILE B 109 -8.939 -4.331 8.143 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.528 -1.993 7.512 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.316 -2.081 6.582 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -6.203 -2.610 8.866 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -4.069 -1.437 7.147 1.00 0.00 C ATOM 0 H ILE B 109 -7.941 -0.888 5.793 1.00 0.00 H new ATOM 0 HA ILE B 109 -7.400 -3.564 6.318 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.778 -0.945 7.676 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -5.108 -3.129 6.369 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.562 -1.605 5.633 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -5.341 -2.103 9.299 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -7.060 -2.501 9.531 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.975 -3.668 8.738 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.252 -1.538 6.433 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.258 -0.380 7.334 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.797 -1.928 8.081 1.00 0.00 H new ATOM 1530 N GLN B 110 -9.365 -2.170 8.600 1.00 0.00 N ATOM 1531 CA GLN B 110 -10.335 -2.481 9.644 1.00 0.00 C ATOM 1532 C GLN B 110 -11.520 -3.237 9.065 1.00 0.00 C ATOM 1533 O GLN B 110 -12.071 -4.132 9.707 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.814 -1.201 10.334 1.00 0.00 C ATOM 1535 CG GLN B 110 -9.978 -0.814 11.543 1.00 0.00 C ATOM 1536 CD GLN B 110 -10.396 -1.547 12.802 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -11.519 -2.043 12.902 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -9.492 -1.621 13.772 1.00 0.00 N ATOM 0 H GLN B 110 -9.218 -1.173 8.440 1.00 0.00 H new ATOM 0 HA GLN B 110 -9.845 -3.114 10.384 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -10.798 -0.382 9.615 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -11.850 -1.332 10.646 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -8.929 -1.024 11.336 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -10.061 0.260 11.708 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -8.573 -1.196 13.647 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -9.716 -2.103 14.642 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.904 -2.887 7.841 1.00 0.00 N ATOM 1548 CA GLU B 111 -13.018 -3.552 7.177 1.00 0.00 C ATOM 1549 C GLU B 111 -12.801 -5.057 7.186 1.00 0.00 C ATOM 1550 O GLU B 111 -13.715 -5.830 7.475 1.00 0.00 O ATOM 1551 CB GLU B 111 -13.166 -3.048 5.740 1.00 0.00 C ATOM 1552 CG GLU B 111 -14.610 -2.945 5.277 1.00 0.00 C ATOM 1553 CD GLU B 111 -15.123 -1.518 5.276 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -14.572 -0.690 6.033 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -16.072 -1.229 4.520 1.00 0.00 O ATOM 0 H GLU B 111 -11.462 -2.150 7.292 1.00 0.00 H new ATOM 0 HA GLU B 111 -13.936 -3.321 7.718 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -12.696 -2.068 5.657 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -12.626 -3.718 5.071 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -14.696 -3.358 4.272 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -15.240 -3.553 5.926 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.573 -5.462 6.893 1.00 0.00 N ATOM 1563 CA TYR B 112 -11.220 -6.872 6.891 1.00 0.00 C ATOM 1564 C TYR B 112 -11.192 -7.392 8.320 1.00 0.00 C ATOM 1565 O TYR B 112 -11.550 -8.542 8.581 1.00 0.00 O ATOM 1566 CB TYR B 112 -9.863 -7.088 6.221 1.00 0.00 C ATOM 1567 CG TYR B 112 -9.513 -8.545 6.013 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -10.326 -9.370 5.246 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -8.372 -9.093 6.584 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -10.008 -10.703 5.054 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -8.049 -10.424 6.398 1.00 0.00 C ATOM 1572 CZ TYR B 112 -8.870 -11.224 5.632 1.00 0.00 C ATOM 1573 OH TYR B 112 -8.552 -12.548 5.442 1.00 0.00 O ATOM 0 H TYR B 112 -10.806 -4.833 6.654 1.00 0.00 H new ATOM 0 HA TYR B 112 -11.970 -7.422 6.323 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.859 -6.581 5.256 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -9.089 -6.621 6.829 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -11.219 -8.965 4.793 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -7.726 -8.469 7.184 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -10.648 -11.332 4.454 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -7.158 -10.835 6.850 1.00 0.00 H new ATOM 0 HH TYR B 112 -7.719 -12.756 5.915 1.00 0.00 H new ATOM 1583 N ASP B 113 -10.788 -6.530 9.250 1.00 0.00 N ATOM 1584 CA ASP B 113 -10.743 -6.903 10.656 1.00 0.00 C ATOM 1585 C ASP B 113 -12.139 -7.287 11.132 1.00 0.00 C ATOM 1586 O ASP B 113 -12.300 -8.138 12.006 1.00 0.00 O ATOM 1587 CB ASP B 113 -10.199 -5.748 11.500 1.00 0.00 C ATOM 1588 CG ASP B 113 -9.422 -6.232 12.708 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -9.942 -7.102 13.440 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -8.294 -5.741 12.927 1.00 0.00 O ATOM 0 H ASP B 113 -10.489 -5.575 9.054 1.00 0.00 H new ATOM 0 HA ASP B 113 -10.077 -7.758 10.771 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -9.554 -5.123 10.883 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -11.027 -5.122 11.831 1.00 0.00 H new ATOM 1595 N ASN B 114 -13.149 -6.657 10.535 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.536 -6.934 10.879 1.00 0.00 C ATOM 1597 C ASN B 114 -15.032 -8.179 10.150 1.00 0.00 C ATOM 1598 O ASN B 114 -15.846 -8.936 10.678 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.420 -5.734 10.534 1.00 0.00 C ATOM 1600 CG ASN B 114 -16.169 -5.200 11.740 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -16.053 -4.026 12.087 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -16.942 -6.066 12.386 1.00 0.00 N ATOM 0 H ASN B 114 -13.029 -5.950 9.809 1.00 0.00 H new ATOM 0 HA ASN B 114 -14.593 -7.115 11.952 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -14.802 -4.941 10.113 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -16.136 -6.023 9.764 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -17.470 -5.766 13.206 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -17.008 -7.031 12.062 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.534 -8.387 8.932 1.00 0.00 N ATOM 1610 CA ILE B 115 -14.928 -9.541 8.137 1.00 0.00 C ATOM 1611 C ILE B 115 -14.310 -10.822 8.691 1.00 0.00 C ATOM 1612 O ILE B 115 -14.934 -11.885 8.666 1.00 0.00 O ATOM 1613 CB ILE B 115 -14.511 -9.372 6.661 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -15.090 -8.078 6.092 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -14.966 -10.568 5.840 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -14.212 -7.434 5.039 1.00 0.00 C ATOM 0 H ILE B 115 -13.859 -7.771 8.478 1.00 0.00 H new ATOM 0 HA ILE B 115 -16.014 -9.613 8.191 1.00 0.00 H new ATOM 0 HB ILE B 115 -13.424 -9.316 6.611 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -16.069 -8.287 5.660 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -15.246 -7.370 6.906 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -14.664 -10.433 4.802 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -14.510 -11.476 6.235 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -16.051 -10.655 5.894 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -14.685 -6.520 4.680 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -13.241 -7.194 5.472 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -14.077 -8.124 4.206 1.00 0.00 H new