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 -140:sc= 1.05 USER MOD Set 1.2: A 70 HIS : no HE2:sc= -3.05 K(o=-2,f=-16!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -1.93 X(o=-1.9,f=-1.5) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0467) USER MOD Single : A 19 ASN : amide:sc= -0.486 K(o=-0.49,f=-2.3!) USER MOD Single : A 23 LYS NZ :NH3+ 140:sc= 0.203 (180deg=0) USER MOD Single : A 25 TYR OH : rot 165:sc= 0 USER MOD Single : A 27 TYR OH : rot 30:sc= -1.1 USER MOD Single : A 32 MET CE :methyl -158:sc= -3.63! (180deg=-5.73!) USER MOD Single : A 34 HIS : no HE2:sc= -0.302 K(o=-0.3,f=-1.1) USER MOD Single : A 35 GLN : amide:sc=-0.00376 X(o=-0.0038,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 170:sc= -1.36 (180deg=-1.52) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.77 K(o=-1.8,f=-8!) 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= -1.29 K(o=-1.3,f=-2.4!) USER MOD Single : A 74 TYR OH : rot -119:sc= 0.0558 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN :FLIP amide:sc= -0.0554 F(o=-0.76,f=-0.055) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 ASN : amide:sc= -0.0903 K(o=-0.09,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -15.977 3.837 2.336 1.00 0.00 N ATOM 33 CA ARG A 3 -16.518 2.489 2.428 1.00 0.00 C ATOM 34 C ARG A 3 -16.214 1.692 1.165 1.00 0.00 C ATOM 35 O ARG A 3 -15.762 0.549 1.231 1.00 0.00 O ATOM 36 CB ARG A 3 -18.030 2.541 2.664 1.00 0.00 C ATOM 37 CG ARG A 3 -18.504 1.611 3.770 1.00 0.00 C ATOM 38 CD ARG A 3 -19.752 0.845 3.361 1.00 0.00 C ATOM 39 NE ARG A 3 -20.960 1.401 3.969 1.00 0.00 N ATOM 40 CZ ARG A 3 -21.340 1.157 5.220 1.00 0.00 C ATOM 41 NH1 ARG A 3 -20.611 0.370 6.001 1.00 0.00 N ATOM 42 NH2 ARG A 3 -22.452 1.702 5.693 1.00 0.00 N ATOM 0 HA ARG A 3 -16.042 1.989 3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.316 3.563 2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.543 2.282 1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.710 0.907 4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -18.711 2.191 4.670 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -19.850 0.865 2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -19.648 -0.200 3.652 1.00 0.00 H new ATOM 0 HE ARG A 3 -21.546 2.012 3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.754 -0.052 5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -20.908 0.187 6.960 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -23.016 2.308 5.098 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -22.744 1.515 6.652 1.00 0.00 H new ATOM 56 N LYS A 4 -16.467 2.303 0.011 1.00 0.00 N ATOM 57 CA LYS A 4 -16.222 1.652 -1.270 1.00 0.00 C ATOM 58 C LYS A 4 -14.738 1.376 -1.468 1.00 0.00 C ATOM 59 O LYS A 4 -14.363 0.390 -2.103 1.00 0.00 O ATOM 60 CB LYS A 4 -16.753 2.513 -2.418 1.00 0.00 C ATOM 61 CG LYS A 4 -18.197 2.213 -2.787 1.00 0.00 C ATOM 62 CD LYS A 4 -18.761 3.264 -3.729 1.00 0.00 C ATOM 63 CE LYS A 4 -20.211 2.974 -4.082 1.00 0.00 C ATOM 64 NZ LYS A 4 -20.515 3.309 -5.501 1.00 0.00 N ATOM 0 H LYS A 4 -16.842 3.249 -0.062 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.751 0.699 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.668 3.564 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.124 2.362 -3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.257 1.232 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.804 2.171 -1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.688 4.247 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.163 3.297 -4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.424 1.920 -3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.866 3.547 -3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.513 3.097 -5.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.336 4.320 -5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.908 2.744 -6.129 1.00 0.00 H new ATOM 78 N VAL A 5 -13.892 2.240 -0.916 1.00 0.00 N ATOM 79 CA VAL A 5 -12.450 2.068 -1.037 1.00 0.00 C ATOM 80 C VAL A 5 -12.046 0.667 -0.595 1.00 0.00 C ATOM 81 O VAL A 5 -11.122 0.069 -1.146 1.00 0.00 O ATOM 82 CB VAL A 5 -11.682 3.106 -0.196 1.00 0.00 C ATOM 83 CG1 VAL A 5 -10.183 2.986 -0.433 1.00 0.00 C ATOM 84 CG2 VAL A 5 -12.168 4.515 -0.508 1.00 0.00 C ATOM 0 H VAL A 5 -14.179 3.062 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.192 2.214 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.876 2.905 0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.659 3.728 0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.849 1.987 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.967 3.157 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.613 5.233 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.008 4.729 -1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.231 4.592 -0.279 1.00 0.00 H new ATOM 94 N ALA A 6 -12.763 0.145 0.393 1.00 0.00 N ATOM 95 CA ALA A 6 -12.501 -1.192 0.904 1.00 0.00 C ATOM 96 C ALA A 6 -12.968 -2.249 -0.091 1.00 0.00 C ATOM 97 O ALA A 6 -12.299 -3.259 -0.301 1.00 0.00 O ATOM 98 CB ALA A 6 -13.186 -1.388 2.248 1.00 0.00 C ATOM 0 H ALA A 6 -13.532 0.630 0.856 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.425 -1.303 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.981 -2.393 2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.807 -0.655 2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.262 -1.257 2.131 1.00 0.00 H new ATOM 104 N ARG A 7 -14.127 -2.005 -0.697 1.00 0.00 N ATOM 105 CA ARG A 7 -14.693 -2.933 -1.670 1.00 0.00 C ATOM 106 C ARG A 7 -13.856 -2.989 -2.942 1.00 0.00 C ATOM 107 O ARG A 7 -13.640 -4.062 -3.504 1.00 0.00 O ATOM 108 CB ARG A 7 -16.132 -2.535 -2.008 1.00 0.00 C ATOM 109 CG ARG A 7 -17.177 -3.310 -1.219 1.00 0.00 C ATOM 110 CD ARG A 7 -18.589 -2.922 -1.632 1.00 0.00 C ATOM 111 NE ARG A 7 -19.212 -2.019 -0.668 1.00 0.00 N ATOM 112 CZ ARG A 7 -20.477 -1.612 -0.744 1.00 0.00 C ATOM 113 NH1 ARG A 7 -21.257 -2.027 -1.734 1.00 0.00 N ATOM 114 NH2 ARG A 7 -20.964 -0.790 0.175 1.00 0.00 N ATOM 0 H ARG A 7 -14.692 -1.172 -0.531 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.690 -3.926 -1.221 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.260 -1.470 -1.817 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.303 -2.691 -3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -17.032 -4.379 -1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -17.044 -3.122 -0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -18.562 -2.444 -2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -19.197 -3.821 -1.733 1.00 0.00 H new ATOM 0 HE ARG A 7 -18.645 -1.680 0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -20.888 -2.662 -2.442 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -22.226 -1.712 -1.787 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.369 -0.470 0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -21.933 -0.478 0.118 1.00 0.00 H new ATOM 128 N GLU A 8 -13.392 -1.832 -3.394 1.00 0.00 N ATOM 129 CA GLU A 8 -12.583 -1.763 -4.605 1.00 0.00 C ATOM 130 C GLU A 8 -11.186 -2.319 -4.359 1.00 0.00 C ATOM 131 O GLU A 8 -10.571 -2.896 -5.256 1.00 0.00 O ATOM 132 CB GLU A 8 -12.501 -0.322 -5.115 1.00 0.00 C ATOM 133 CG GLU A 8 -11.750 0.617 -4.187 1.00 0.00 C ATOM 134 CD GLU A 8 -10.554 1.270 -4.854 1.00 0.00 C ATOM 135 OE1 GLU A 8 -9.471 0.647 -4.870 1.00 0.00 O ATOM 136 OE2 GLU A 8 -10.702 2.401 -5.360 1.00 0.00 O ATOM 0 H GLU A 8 -13.560 -0.932 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.064 -2.375 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.014 -0.319 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.512 0.059 -5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.430 1.391 -3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.414 0.063 -3.311 1.00 0.00 H new ATOM 143 N PHE A 9 -10.693 -2.155 -3.138 1.00 0.00 N ATOM 144 CA PHE A 9 -9.374 -2.658 -2.780 1.00 0.00 C ATOM 145 C PHE A 9 -9.428 -4.167 -2.583 1.00 0.00 C ATOM 146 O PHE A 9 -8.533 -4.896 -3.012 1.00 0.00 O ATOM 147 CB PHE A 9 -8.865 -1.979 -1.507 1.00 0.00 C ATOM 148 CG PHE A 9 -7.450 -2.342 -1.155 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.462 -2.357 -2.126 1.00 0.00 C ATOM 150 CD2 PHE A 9 -7.111 -2.670 0.148 1.00 0.00 C ATOM 151 CE1 PHE A 9 -5.160 -2.693 -1.804 1.00 0.00 C ATOM 152 CE2 PHE A 9 -5.811 -3.005 0.476 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.834 -3.016 -0.501 1.00 0.00 C ATOM 0 H PHE A 9 -11.185 -1.679 -2.382 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.684 -2.429 -3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.934 -0.898 -1.630 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.517 -2.248 -0.676 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.712 -2.103 -3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.871 -2.664 0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.399 -2.703 -2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.559 -3.258 1.495 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.817 -3.277 -0.246 1.00 0.00 H new ATOM 163 N ARG A 10 -10.495 -4.629 -1.938 1.00 0.00 N ATOM 164 CA ARG A 10 -10.681 -6.051 -1.688 1.00 0.00 C ATOM 165 C ARG A 10 -11.093 -6.771 -2.967 1.00 0.00 C ATOM 166 O ARG A 10 -10.617 -7.870 -3.251 1.00 0.00 O ATOM 167 CB ARG A 10 -11.738 -6.268 -0.604 1.00 0.00 C ATOM 168 CG ARG A 10 -11.491 -7.504 0.247 1.00 0.00 C ATOM 169 CD ARG A 10 -12.751 -8.344 0.392 1.00 0.00 C ATOM 170 NE ARG A 10 -13.809 -7.628 1.100 1.00 0.00 N ATOM 171 CZ ARG A 10 -14.861 -8.222 1.657 1.00 0.00 C ATOM 172 NH1 ARG A 10 -15.000 -9.540 1.593 1.00 0.00 N ATOM 173 NH2 ARG A 10 -15.778 -7.496 2.281 1.00 0.00 N ATOM 0 H ARG A 10 -11.244 -4.037 -1.579 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.732 -6.464 -1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.768 -5.391 0.043 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.718 -6.351 -1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.702 -8.105 -0.204 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.138 -7.203 1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.108 -8.634 -0.596 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.514 -9.263 0.928 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.737 -6.613 1.172 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.298 -10.104 1.115 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.809 -9.989 2.022 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.677 -6.482 2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.585 -7.951 2.708 1.00 0.00 H new ATOM 187 N HIS A 11 -11.980 -6.146 -3.739 1.00 0.00 N ATOM 188 CA HIS A 11 -12.444 -6.735 -4.989 1.00 0.00 C ATOM 189 C HIS A 11 -11.308 -6.816 -6.000 1.00 0.00 C ATOM 190 O HIS A 11 -11.129 -7.835 -6.666 1.00 0.00 O ATOM 191 CB HIS A 11 -13.603 -5.923 -5.569 1.00 0.00 C ATOM 192 CG HIS A 11 -14.892 -6.101 -4.828 1.00 0.00 C ATOM 193 ND1 HIS A 11 -16.128 -5.999 -5.432 1.00 0.00 N ATOM 194 CD2 HIS A 11 -15.133 -6.375 -3.524 1.00 0.00 C ATOM 195 CE1 HIS A 11 -17.074 -6.202 -4.532 1.00 0.00 C ATOM 196 NE2 HIS A 11 -16.497 -6.433 -3.367 1.00 0.00 N ATOM 0 H HIS A 11 -12.389 -5.237 -3.521 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.795 -7.745 -4.777 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -13.334 -4.867 -5.564 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.750 -6.209 -6.610 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -14.392 -6.521 -2.752 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -18.138 -6.182 -4.718 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -16.985 -6.624 -2.492 1.00 0.00 H new ATOM 205 N LYS A 12 -10.535 -5.740 -6.103 1.00 0.00 N ATOM 206 CA LYS A 12 -9.409 -5.700 -7.027 1.00 0.00 C ATOM 207 C LYS A 12 -8.419 -6.811 -6.701 1.00 0.00 C ATOM 208 O LYS A 12 -8.126 -7.664 -7.539 1.00 0.00 O ATOM 209 CB LYS A 12 -8.711 -4.341 -6.959 1.00 0.00 C ATOM 210 CG LYS A 12 -9.434 -3.246 -7.728 1.00 0.00 C ATOM 211 CD LYS A 12 -8.777 -2.984 -9.074 1.00 0.00 C ATOM 212 CE LYS A 12 -9.725 -2.274 -10.026 1.00 0.00 C ATOM 213 NZ LYS A 12 -10.186 -0.968 -9.480 1.00 0.00 N ATOM 0 H LYS A 12 -10.667 -4.887 -5.560 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.787 -5.849 -8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.620 -4.041 -5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.699 -4.442 -7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.475 -3.533 -7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.438 -2.329 -7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.882 -2.379 -8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.457 -3.928 -9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.226 -2.112 -10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.588 -2.911 -10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.719 -0.455 -10.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.799 -1.133 -8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.362 -0.402 -9.191 1.00 0.00 H new ATOM 227 N VAL A 13 -7.918 -6.803 -5.468 1.00 0.00 N ATOM 228 CA VAL A 13 -6.971 -7.816 -5.025 1.00 0.00 C ATOM 229 C VAL A 13 -7.524 -9.214 -5.271 1.00 0.00 C ATOM 230 O VAL A 13 -6.792 -10.129 -5.644 1.00 0.00 O ATOM 231 CB VAL A 13 -6.631 -7.659 -3.530 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.578 -8.671 -3.106 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.166 -6.241 -3.235 1.00 0.00 C ATOM 0 H VAL A 13 -8.153 -6.106 -4.761 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.059 -7.678 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.535 -7.851 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.354 -8.541 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.954 -9.680 -3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.671 -8.518 -3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.930 -6.149 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.277 -6.020 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.957 -5.537 -3.493 1.00 0.00 H new ATOM 243 N ASP A 14 -8.828 -9.369 -5.068 1.00 0.00 N ATOM 244 CA ASP A 14 -9.479 -10.654 -5.279 1.00 0.00 C ATOM 245 C ASP A 14 -9.465 -11.025 -6.757 1.00 0.00 C ATOM 246 O ASP A 14 -9.409 -12.203 -7.111 1.00 0.00 O ATOM 247 CB ASP A 14 -10.919 -10.612 -4.762 1.00 0.00 C ATOM 248 CG ASP A 14 -11.026 -11.039 -3.311 1.00 0.00 C ATOM 249 OD1 ASP A 14 -10.932 -12.256 -3.042 1.00 0.00 O ATOM 250 OD2 ASP A 14 -11.204 -10.157 -2.445 1.00 0.00 O ATOM 0 H ASP A 14 -9.452 -8.623 -4.759 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.927 -11.413 -4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.311 -9.601 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.542 -11.263 -5.376 1.00 0.00 H new ATOM 255 N PHE A 15 -9.505 -10.011 -7.618 1.00 0.00 N ATOM 256 CA PHE A 15 -9.485 -10.231 -9.056 1.00 0.00 C ATOM 257 C PHE A 15 -8.121 -10.742 -9.496 1.00 0.00 C ATOM 258 O PHE A 15 -8.007 -11.515 -10.448 1.00 0.00 O ATOM 259 CB PHE A 15 -9.827 -8.936 -9.798 1.00 0.00 C ATOM 260 CG PHE A 15 -11.194 -8.944 -10.420 1.00 0.00 C ATOM 261 CD1 PHE A 15 -12.307 -9.296 -9.674 1.00 0.00 C ATOM 262 CD2 PHE A 15 -11.367 -8.598 -11.751 1.00 0.00 C ATOM 263 CE1 PHE A 15 -13.567 -9.305 -10.243 1.00 0.00 C ATOM 264 CE2 PHE A 15 -12.624 -8.605 -12.325 1.00 0.00 C ATOM 265 CZ PHE A 15 -13.725 -8.958 -11.570 1.00 0.00 C ATOM 0 H PHE A 15 -9.551 -9.030 -7.342 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.235 -10.983 -9.300 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.758 -8.099 -9.103 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.083 -8.766 -10.577 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -12.189 -9.567 -8.635 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -10.510 -8.320 -12.346 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -14.426 -9.583 -9.651 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.745 -8.335 -13.364 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.708 -8.963 -12.017 1.00 0.00 H new ATOM 275 N LEU A 16 -7.085 -10.294 -8.797 1.00 0.00 N ATOM 276 CA LEU A 16 -5.717 -10.690 -9.108 1.00 0.00 C ATOM 277 C LEU A 16 -5.375 -12.036 -8.479 1.00 0.00 C ATOM 278 O LEU A 16 -4.879 -12.940 -9.152 1.00 0.00 O ATOM 279 CB LEU A 16 -4.733 -9.623 -8.623 1.00 0.00 C ATOM 280 CG LEU A 16 -5.246 -8.183 -8.703 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.405 -7.268 -7.826 1.00 0.00 C ATOM 282 CD2 LEU A 16 -5.242 -7.696 -10.144 1.00 0.00 C ATOM 0 H LEU A 16 -7.167 -9.653 -8.008 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.635 -10.789 -10.190 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.466 -9.840 -7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.819 -9.700 -9.211 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.272 -8.161 -8.336 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.784 -6.248 -7.895 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.459 -7.606 -6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.369 -7.293 -8.162 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.610 -6.671 -10.183 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.226 -7.732 -10.538 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.887 -8.336 -10.746 1.00 0.00 H new ATOM 294 N ILE A 17 -5.637 -12.160 -7.186 1.00 0.00 N ATOM 295 CA ILE A 17 -5.355 -13.391 -6.460 1.00 0.00 C ATOM 296 C ILE A 17 -6.377 -14.464 -6.762 1.00 0.00 C ATOM 297 O ILE A 17 -6.033 -15.571 -7.181 1.00 0.00 O ATOM 298 CB ILE A 17 -5.339 -13.166 -4.938 1.00 0.00 C ATOM 299 CG1 ILE A 17 -4.500 -11.944 -4.585 1.00 0.00 C ATOM 300 CG2 ILE A 17 -4.806 -14.398 -4.228 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.041 -12.076 -4.964 1.00 0.00 C ATOM 0 H ILE A 17 -6.046 -11.420 -6.616 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.369 -13.714 -6.794 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.362 -12.988 -4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.918 -11.071 -5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.572 -11.762 -3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.801 -14.224 -3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.444 -15.253 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.791 -14.603 -4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.508 -11.168 -4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.606 -12.929 -4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.957 -12.226 -6.040 1.00 0.00 H new ATOM 313 N GLU A 18 -7.637 -14.144 -6.516 1.00 0.00 N ATOM 314 CA GLU A 18 -8.710 -15.083 -6.724 1.00 0.00 C ATOM 315 C GLU A 18 -8.577 -16.258 -5.769 1.00 0.00 C ATOM 316 O GLU A 18 -9.343 -17.219 -5.823 1.00 0.00 O ATOM 317 CB GLU A 18 -8.721 -15.554 -8.165 1.00 0.00 C ATOM 318 CG GLU A 18 -8.536 -14.433 -9.170 1.00 0.00 C ATOM 319 CD GLU A 18 -9.035 -14.801 -10.554 1.00 0.00 C ATOM 320 OE1 GLU A 18 -10.251 -15.038 -10.702 1.00 0.00 O ATOM 321 OE2 GLU A 18 -8.209 -14.851 -11.489 1.00 0.00 O ATOM 0 H GLU A 18 -7.936 -13.232 -6.170 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.658 -14.586 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.929 -16.290 -8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.665 -16.060 -8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.065 -13.546 -8.821 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.479 -14.172 -9.227 1.00 0.00 H new ATOM 328 N ASN A 19 -7.589 -16.157 -4.897 1.00 0.00 N ATOM 329 CA ASN A 19 -7.320 -17.194 -3.911 1.00 0.00 C ATOM 330 C ASN A 19 -7.666 -16.713 -2.506 1.00 0.00 C ATOM 331 O ASN A 19 -8.253 -15.645 -2.331 1.00 0.00 O ATOM 332 CB ASN A 19 -5.850 -17.616 -3.972 1.00 0.00 C ATOM 333 CG ASN A 19 -5.669 -19.109 -3.780 1.00 0.00 C ATOM 334 OD1 ASN A 19 -6.571 -19.898 -4.066 1.00 0.00 O ATOM 335 ND2 ASN A 19 -4.499 -19.506 -3.294 1.00 0.00 N ATOM 0 H ASN A 19 -6.954 -15.361 -4.851 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.948 -18.054 -4.145 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.430 -17.323 -4.934 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.290 -17.083 -3.204 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.319 -20.499 -3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.780 -18.818 -3.071 1.00 0.00 H new ATOM 342 N ASP A 20 -7.298 -17.509 -1.507 1.00 0.00 N ATOM 343 CA ASP A 20 -7.567 -17.165 -0.118 1.00 0.00 C ATOM 344 C ASP A 20 -6.276 -17.120 0.691 1.00 0.00 C ATOM 345 O ASP A 20 -6.034 -16.172 1.438 1.00 0.00 O ATOM 346 CB ASP A 20 -8.536 -18.175 0.501 1.00 0.00 C ATOM 347 CG ASP A 20 -9.982 -17.736 0.381 1.00 0.00 C ATOM 348 OD1 ASP A 20 -10.233 -16.513 0.371 1.00 0.00 O ATOM 349 OD2 ASP A 20 -10.865 -18.616 0.298 1.00 0.00 O ATOM 0 H ASP A 20 -6.813 -18.397 -1.635 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.022 -16.175 -0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.411 -19.141 0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.288 -18.315 1.553 1.00 0.00 H new ATOM 354 N ALA A 21 -5.446 -18.147 0.532 1.00 0.00 N ATOM 355 CA ALA A 21 -4.179 -18.220 1.247 1.00 0.00 C ATOM 356 C ALA A 21 -3.302 -17.015 0.925 1.00 0.00 C ATOM 357 O ALA A 21 -2.674 -16.434 1.810 1.00 0.00 O ATOM 358 CB ALA A 21 -3.452 -19.512 0.905 1.00 0.00 C ATOM 0 H ALA A 21 -5.629 -18.938 -0.085 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.390 -18.210 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.507 -19.552 1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.070 -20.364 1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.257 -19.547 -0.167 1.00 0.00 H new ATOM 364 N GLU A 22 -3.270 -16.644 -0.349 1.00 0.00 N ATOM 365 CA GLU A 22 -2.476 -15.505 -0.791 1.00 0.00 C ATOM 366 C GLU A 22 -3.029 -14.208 -0.212 1.00 0.00 C ATOM 367 O GLU A 22 -2.282 -13.385 0.318 1.00 0.00 O ATOM 368 CB GLU A 22 -2.456 -15.433 -2.319 1.00 0.00 C ATOM 369 CG GLU A 22 -1.262 -16.137 -2.943 1.00 0.00 C ATOM 370 CD GLU A 22 -1.235 -16.013 -4.455 1.00 0.00 C ATOM 371 OE1 GLU A 22 -1.788 -15.024 -4.979 1.00 0.00 O ATOM 372 OE2 GLU A 22 -0.661 -16.905 -5.114 1.00 0.00 O ATOM 0 H GLU A 22 -3.784 -17.115 -1.093 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.456 -15.638 -0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.373 -15.876 -2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.452 -14.387 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.343 -15.719 -2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.283 -17.192 -2.669 1.00 0.00 H new ATOM 379 N LYS A 23 -4.345 -14.037 -0.303 1.00 0.00 N ATOM 380 CA LYS A 23 -4.994 -12.847 0.228 1.00 0.00 C ATOM 381 C LYS A 23 -4.824 -12.786 1.736 1.00 0.00 C ATOM 382 O LYS A 23 -4.730 -11.707 2.314 1.00 0.00 O ATOM 383 CB LYS A 23 -6.478 -12.836 -0.138 1.00 0.00 C ATOM 384 CG LYS A 23 -7.116 -11.458 -0.055 1.00 0.00 C ATOM 385 CD LYS A 23 -8.556 -11.538 0.429 1.00 0.00 C ATOM 386 CE LYS A 23 -9.408 -12.394 -0.494 1.00 0.00 C ATOM 387 NZ LYS A 23 -10.843 -12.379 -0.097 1.00 0.00 N ATOM 0 H LYS A 23 -4.979 -14.707 -0.739 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.523 -11.969 -0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.597 -13.222 -1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.012 -13.515 0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.538 -10.829 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.087 -10.983 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.580 -11.953 1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.977 -10.534 0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.311 -12.032 -1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.039 -13.419 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.438 -12.335 -0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.065 -13.244 0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.030 -11.547 0.499 1.00 0.00 H new ATOM 401 N ASP A 24 -4.764 -13.954 2.366 1.00 0.00 N ATOM 402 CA ASP A 24 -4.582 -14.025 3.806 1.00 0.00 C ATOM 403 C ASP A 24 -3.245 -13.401 4.186 1.00 0.00 C ATOM 404 O ASP A 24 -3.171 -12.562 5.084 1.00 0.00 O ATOM 405 CB ASP A 24 -4.643 -15.480 4.282 1.00 0.00 C ATOM 406 CG ASP A 24 -5.735 -15.705 5.308 1.00 0.00 C ATOM 407 OD1 ASP A 24 -6.919 -15.479 4.975 1.00 0.00 O ATOM 408 OD2 ASP A 24 -5.410 -16.108 6.445 1.00 0.00 O ATOM 0 H ASP A 24 -4.839 -14.859 1.902 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.385 -13.471 4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.812 -16.133 3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.681 -15.760 4.711 1.00 0.00 H new ATOM 413 N TYR A 25 -2.191 -13.811 3.486 1.00 0.00 N ATOM 414 CA TYR A 25 -0.857 -13.284 3.740 1.00 0.00 C ATOM 415 C TYR A 25 -0.776 -11.816 3.357 1.00 0.00 C ATOM 416 O TYR A 25 -0.264 -11.000 4.123 1.00 0.00 O ATOM 417 CB TYR A 25 0.199 -14.091 2.982 1.00 0.00 C ATOM 418 CG TYR A 25 1.613 -13.599 3.197 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.285 -13.861 4.384 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.273 -12.871 2.216 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.578 -13.413 4.585 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.564 -12.419 2.409 1.00 0.00 C ATOM 423 CZ TYR A 25 4.212 -12.693 3.595 1.00 0.00 C ATOM 424 OH TYR A 25 5.498 -12.244 3.792 1.00 0.00 O ATOM 0 H TYR A 25 -2.236 -14.505 2.740 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.657 -13.373 4.808 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.136 -15.134 3.291 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.029 -14.060 1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.790 -14.423 5.162 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.768 -12.654 1.286 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.088 -13.626 5.513 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.063 -11.854 1.635 1.00 0.00 H new ATOM 0 HH TYR A 25 5.884 -11.970 2.934 1.00 0.00 H new ATOM 434 N LEU A 26 -1.303 -11.467 2.185 1.00 0.00 N ATOM 435 CA LEU A 26 -1.290 -10.077 1.756 1.00 0.00 C ATOM 436 C LEU A 26 -1.999 -9.243 2.802 1.00 0.00 C ATOM 437 O LEU A 26 -1.509 -8.194 3.217 1.00 0.00 O ATOM 438 CB LEU A 26 -1.960 -9.907 0.391 1.00 0.00 C ATOM 439 CG LEU A 26 -2.031 -8.464 -0.115 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.933 -8.198 -1.134 1.00 0.00 C ATOM 441 CD2 LEU A 26 -3.398 -8.173 -0.717 1.00 0.00 C ATOM 0 H LEU A 26 -1.736 -12.117 1.529 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.257 -9.746 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.419 -10.507 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.972 -10.308 0.447 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.880 -7.798 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.001 -7.167 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.040 -8.362 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.051 -8.874 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.428 -7.142 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.579 -8.849 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.168 -8.319 0.041 1.00 0.00 H new ATOM 453 N TYR A 27 -3.136 -9.749 3.269 1.00 0.00 N ATOM 454 CA TYR A 27 -3.874 -9.069 4.318 1.00 0.00 C ATOM 455 C TYR A 27 -2.981 -8.962 5.548 1.00 0.00 C ATOM 456 O TYR A 27 -3.038 -7.983 6.290 1.00 0.00 O ATOM 457 CB TYR A 27 -5.165 -9.817 4.660 1.00 0.00 C ATOM 458 CG TYR A 27 -6.418 -9.091 4.226 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.771 -7.876 4.798 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.247 -9.619 3.244 1.00 0.00 C ATOM 461 CE1 TYR A 27 -7.914 -7.207 4.404 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.390 -8.955 2.844 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.721 -7.751 3.428 1.00 0.00 C ATOM 464 OH TYR A 27 -9.859 -7.088 3.033 1.00 0.00 O ATOM 0 H TYR A 27 -3.559 -10.617 2.940 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.156 -8.074 3.972 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.142 -10.799 4.188 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.205 -9.982 5.737 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.142 -7.447 5.564 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.994 -10.564 2.786 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.174 -6.262 4.859 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.022 -9.377 2.077 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.728 -6.122 3.137 1.00 0.00 H new ATOM 474 N ASP A 28 -2.131 -9.977 5.741 1.00 0.00 N ATOM 475 CA ASP A 28 -1.204 -9.993 6.858 1.00 0.00 C ATOM 476 C ASP A 28 -0.088 -8.980 6.629 1.00 0.00 C ATOM 477 O ASP A 28 0.423 -8.380 7.575 1.00 0.00 O ATOM 478 CB ASP A 28 -0.612 -11.391 7.042 1.00 0.00 C ATOM 479 CG ASP A 28 -0.405 -11.746 8.500 1.00 0.00 C ATOM 480 OD1 ASP A 28 -1.404 -11.784 9.250 1.00 0.00 O ATOM 481 OD2 ASP A 28 0.756 -11.986 8.895 1.00 0.00 O ATOM 0 H ASP A 28 -2.073 -10.794 5.133 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.748 -9.723 7.763 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.274 -12.126 6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.342 -11.450 6.518 1.00 0.00 H new ATOM 486 N VAL A 29 0.285 -8.784 5.362 1.00 0.00 N ATOM 487 CA VAL A 29 1.336 -7.834 5.021 1.00 0.00 C ATOM 488 C VAL A 29 0.861 -6.404 5.254 1.00 0.00 C ATOM 489 O VAL A 29 1.562 -5.599 5.868 1.00 0.00 O ATOM 490 CB VAL A 29 1.784 -7.987 3.555 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.947 -7.055 3.248 1.00 0.00 C ATOM 492 CG2 VAL A 29 2.161 -9.432 3.260 1.00 0.00 C ATOM 0 H VAL A 29 -0.124 -9.269 4.563 1.00 0.00 H new ATOM 0 HA VAL A 29 2.186 -8.048 5.668 1.00 0.00 H new ATOM 0 HB VAL A 29 0.949 -7.712 2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.248 -7.179 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.640 -6.023 3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.787 -7.295 3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.475 -9.521 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.979 -9.735 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.299 -10.076 3.435 1.00 0.00 H new ATOM 502 N LEU A 30 -0.337 -6.099 4.767 1.00 0.00 N ATOM 503 CA LEU A 30 -0.908 -4.770 4.932 1.00 0.00 C ATOM 504 C LEU A 30 -1.147 -4.475 6.408 1.00 0.00 C ATOM 505 O LEU A 30 -1.016 -3.335 6.855 1.00 0.00 O ATOM 506 CB LEU A 30 -2.221 -4.655 4.156 1.00 0.00 C ATOM 507 CG LEU A 30 -2.074 -4.626 2.635 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.331 -5.163 1.967 1.00 0.00 C ATOM 509 CD2 LEU A 30 -1.776 -3.214 2.156 1.00 0.00 C ATOM 0 H LEU A 30 -0.929 -6.754 4.256 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.202 -4.040 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.861 -5.495 4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.734 -3.747 4.473 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.237 -5.267 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.208 -5.135 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.502 -6.191 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.185 -4.548 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.674 -3.212 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.592 -2.552 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.848 -2.865 2.608 1.00 0.00 H new ATOM 521 N ARG A 31 -1.492 -5.516 7.162 1.00 0.00 N ATOM 522 CA ARG A 31 -1.744 -5.376 8.591 1.00 0.00 C ATOM 523 C ARG A 31 -0.459 -5.012 9.328 1.00 0.00 C ATOM 524 O ARG A 31 -0.445 -4.107 10.162 1.00 0.00 O ATOM 525 CB ARG A 31 -2.327 -6.672 9.159 1.00 0.00 C ATOM 526 CG ARG A 31 -3.614 -6.466 9.946 1.00 0.00 C ATOM 527 CD ARG A 31 -3.436 -6.804 11.418 1.00 0.00 C ATOM 528 NE ARG A 31 -4.436 -7.762 11.884 1.00 0.00 N ATOM 529 CZ ARG A 31 -4.579 -8.125 13.157 1.00 0.00 C ATOM 530 NH1 ARG A 31 -3.791 -7.613 14.093 1.00 0.00 N ATOM 531 NH2 ARG A 31 -5.514 -9.003 13.494 1.00 0.00 N ATOM 0 H ARG A 31 -1.603 -6.465 6.806 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.467 -4.573 8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.519 -7.365 8.339 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.586 -7.141 9.806 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.938 -5.430 9.848 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.402 -7.088 9.523 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.439 -7.214 11.578 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.504 -5.892 12.010 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.061 -8.177 11.193 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.070 -6.937 13.839 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.906 -7.895 15.066 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.123 -9.400 12.778 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.624 -9.282 14.469 1.00 0.00 H new ATOM 545 N MET A 32 0.621 -5.721 9.011 1.00 0.00 N ATOM 546 CA MET A 32 1.909 -5.465 9.642 1.00 0.00 C ATOM 547 C MET A 32 2.472 -4.124 9.180 1.00 0.00 C ATOM 548 O MET A 32 3.145 -3.425 9.937 1.00 0.00 O ATOM 549 CB MET A 32 2.894 -6.595 9.326 1.00 0.00 C ATOM 550 CG MET A 32 3.367 -6.615 7.880 1.00 0.00 C ATOM 551 SD MET A 32 4.849 -7.616 7.650 1.00 0.00 S ATOM 552 CE MET A 32 5.906 -6.951 8.935 1.00 0.00 C ATOM 0 H MET A 32 0.629 -6.474 8.323 1.00 0.00 H new ATOM 0 HA MET A 32 1.763 -5.425 10.721 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.761 -6.501 9.980 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.422 -7.550 9.557 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.569 -7.002 7.246 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.568 -5.595 7.553 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.948 -7.161 8.694 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.760 -5.873 9.005 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.654 -7.414 9.889 1.00 0.00 H new ATOM 562 N TYR A 33 2.180 -3.771 7.932 1.00 0.00 N ATOM 563 CA TYR A 33 2.645 -2.514 7.362 1.00 0.00 C ATOM 564 C TYR A 33 2.074 -1.332 8.137 1.00 0.00 C ATOM 565 O TYR A 33 2.781 -0.367 8.429 1.00 0.00 O ATOM 566 CB TYR A 33 2.246 -2.430 5.883 1.00 0.00 C ATOM 567 CG TYR A 33 2.308 -1.033 5.299 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.310 -0.145 5.671 1.00 0.00 C ATOM 569 CD2 TYR A 33 1.362 -0.606 4.376 1.00 0.00 C ATOM 570 CE1 TYR A 33 3.367 1.130 5.140 1.00 0.00 C ATOM 571 CE2 TYR A 33 1.412 0.666 3.840 1.00 0.00 C ATOM 572 CZ TYR A 33 2.415 1.530 4.225 1.00 0.00 C ATOM 573 OH TYR A 33 2.466 2.798 3.693 1.00 0.00 O ATOM 0 H TYR A 33 1.622 -4.340 7.296 1.00 0.00 H new ATOM 0 HA TYR A 33 3.732 -2.476 7.435 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.900 -3.082 5.305 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.232 -2.814 5.770 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.057 -0.456 6.387 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.574 -1.280 4.072 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.152 1.809 5.440 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.669 0.982 3.123 1.00 0.00 H new ATOM 0 HH TYR A 33 1.558 3.161 3.624 1.00 0.00 H new ATOM 583 N HIS A 34 0.791 -1.413 8.470 1.00 0.00 N ATOM 584 CA HIS A 34 0.123 -0.350 9.211 1.00 0.00 C ATOM 585 C HIS A 34 0.602 -0.313 10.659 1.00 0.00 C ATOM 586 O HIS A 34 0.628 0.746 11.288 1.00 0.00 O ATOM 587 CB HIS A 34 -1.393 -0.546 9.168 1.00 0.00 C ATOM 588 CG HIS A 34 -2.164 0.632 9.677 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.308 1.804 8.962 1.00 0.00 N ATOM 590 CD2 HIS A 34 -2.838 0.816 10.836 1.00 0.00 C ATOM 591 CE1 HIS A 34 -3.034 2.657 9.663 1.00 0.00 C ATOM 592 NE2 HIS A 34 -3.368 2.082 10.803 1.00 0.00 N ATOM 0 H HIS A 34 0.192 -2.205 8.238 1.00 0.00 H new ATOM 0 HA HIS A 34 0.373 0.601 8.740 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.695 -0.751 8.141 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.654 -1.424 9.759 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.916 1.983 8.038 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.940 0.100 11.638 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.308 3.655 9.355 1.00 0.00 H new ATOM 601 N GLN A 35 0.979 -1.474 11.185 1.00 0.00 N ATOM 602 CA GLN A 35 1.455 -1.572 12.560 1.00 0.00 C ATOM 603 C GLN A 35 2.848 -0.971 12.701 1.00 0.00 C ATOM 604 O GLN A 35 3.054 -0.022 13.457 1.00 0.00 O ATOM 605 CB GLN A 35 1.470 -3.033 13.015 1.00 0.00 C ATOM 606 CG GLN A 35 0.150 -3.498 13.611 1.00 0.00 C ATOM 607 CD GLN A 35 0.233 -4.897 14.190 1.00 0.00 C ATOM 608 OE1 GLN A 35 -0.460 -5.808 13.741 1.00 0.00 O ATOM 609 NE2 GLN A 35 1.084 -5.071 15.193 1.00 0.00 N ATOM 0 H GLN A 35 0.964 -2.360 10.680 1.00 0.00 H new ATOM 0 HA GLN A 35 0.771 -1.007 13.193 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.719 -3.667 12.164 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.260 -3.167 13.754 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.157 -2.803 14.393 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.621 -3.472 12.841 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.639 -4.286 15.533 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.183 -5.990 15.624 1.00 0.00 H new ATOM 618 N THR A 36 3.800 -1.534 11.969 1.00 0.00 N ATOM 619 CA THR A 36 5.180 -1.063 12.010 1.00 0.00 C ATOM 620 C THR A 36 5.352 0.217 11.194 1.00 0.00 C ATOM 621 O THR A 36 6.274 0.996 11.437 1.00 0.00 O ATOM 622 CB THR A 36 6.123 -2.146 11.487 1.00 0.00 C ATOM 623 OG1 THR A 36 7.457 -1.666 11.433 1.00 0.00 O ATOM 624 CG2 THR A 36 5.759 -2.645 10.106 1.00 0.00 C ATOM 0 H THR A 36 3.642 -2.320 11.338 1.00 0.00 H new ATOM 0 HA THR A 36 5.428 -0.841 13.048 1.00 0.00 H new ATOM 0 HB THR A 36 6.028 -2.974 12.190 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.046 -2.374 11.097 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.470 -3.412 9.797 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.754 -3.068 10.125 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.790 -1.816 9.399 1.00 0.00 H new ATOM 632 N MET A 37 4.464 0.429 10.226 1.00 0.00 N ATOM 633 CA MET A 37 4.526 1.615 9.378 1.00 0.00 C ATOM 634 C MET A 37 5.780 1.592 8.504 1.00 0.00 C ATOM 635 O MET A 37 6.400 2.628 8.260 1.00 0.00 O ATOM 636 CB MET A 37 4.501 2.886 10.234 1.00 0.00 C ATOM 637 CG MET A 37 3.217 3.688 10.090 1.00 0.00 C ATOM 638 SD MET A 37 2.015 3.317 11.381 1.00 0.00 S ATOM 639 CE MET A 37 0.489 3.346 10.444 1.00 0.00 C ATOM 0 H MET A 37 3.694 -0.204 10.010 1.00 0.00 H new ATOM 0 HA MET A 37 3.652 1.613 8.726 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.634 2.612 11.281 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.347 3.516 9.959 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.453 4.752 10.115 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.773 3.483 9.116 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.324 2.962 11.061 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.265 4.370 10.145 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.596 2.723 9.556 1.00 0.00 H new ATOM 649 N ASP A 38 6.145 0.401 8.036 1.00 0.00 N ATOM 650 CA ASP A 38 7.322 0.240 7.190 1.00 0.00 C ATOM 651 C ASP A 38 6.921 -0.096 5.757 1.00 0.00 C ATOM 652 O ASP A 38 6.423 -1.186 5.480 1.00 0.00 O ATOM 653 CB ASP A 38 8.231 -0.857 7.747 1.00 0.00 C ATOM 654 CG ASP A 38 9.040 -0.387 8.938 1.00 0.00 C ATOM 655 OD1 ASP A 38 8.616 0.585 9.599 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.099 -0.991 9.211 1.00 0.00 O ATOM 0 H ASP A 38 5.642 -0.465 8.229 1.00 0.00 H new ATOM 0 HA ASP A 38 7.865 1.185 7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.624 -1.714 8.039 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.908 -1.197 6.963 1.00 0.00 H new ATOM 661 N VAL A 39 7.146 0.850 4.850 1.00 0.00 N ATOM 662 CA VAL A 39 6.812 0.655 3.445 1.00 0.00 C ATOM 663 C VAL A 39 7.775 -0.327 2.784 1.00 0.00 C ATOM 664 O VAL A 39 7.429 -0.985 1.803 1.00 0.00 O ATOM 665 CB VAL A 39 6.841 1.987 2.671 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.345 1.792 1.246 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.015 3.042 3.391 1.00 0.00 C ATOM 0 H VAL A 39 7.558 1.758 5.064 1.00 0.00 H new ATOM 0 HA VAL A 39 5.802 0.247 3.412 1.00 0.00 H new ATOM 0 HB VAL A 39 7.873 2.335 2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.374 2.745 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.984 1.073 0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.321 1.418 1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.048 3.976 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.982 2.703 3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.422 3.205 4.389 1.00 0.00 H new ATOM 677 N ALA A 40 8.980 -0.429 3.334 1.00 0.00 N ATOM 678 CA ALA A 40 9.986 -1.336 2.800 1.00 0.00 C ATOM 679 C ALA A 40 9.627 -2.778 3.122 1.00 0.00 C ATOM 680 O ALA A 40 10.051 -3.703 2.429 1.00 0.00 O ATOM 681 CB ALA A 40 11.358 -0.992 3.357 1.00 0.00 C ATOM 0 H ALA A 40 9.282 0.105 4.149 1.00 0.00 H new ATOM 0 HA ALA A 40 10.014 -1.222 1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.099 -1.679 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.618 0.029 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.342 -1.080 4.443 1.00 0.00 H new ATOM 687 N VAL A 41 8.840 -2.963 4.176 1.00 0.00 N ATOM 688 CA VAL A 41 8.423 -4.290 4.586 1.00 0.00 C ATOM 689 C VAL A 41 7.282 -4.797 3.711 1.00 0.00 C ATOM 690 O VAL A 41 7.299 -5.940 3.253 1.00 0.00 O ATOM 691 CB VAL A 41 7.984 -4.313 6.065 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.591 -5.721 6.489 1.00 0.00 C ATOM 693 CG2 VAL A 41 9.089 -3.770 6.955 1.00 0.00 C ATOM 0 H VAL A 41 8.480 -2.208 4.759 1.00 0.00 H new ATOM 0 HA VAL A 41 9.285 -4.947 4.468 1.00 0.00 H new ATOM 0 HB VAL A 41 7.109 -3.672 6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.285 -5.714 7.535 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.763 -6.069 5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.443 -6.390 6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.763 -3.793 7.995 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.983 -4.384 6.841 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.315 -2.743 6.669 1.00 0.00 H new ATOM 703 N LEU A 42 6.291 -3.942 3.481 1.00 0.00 N ATOM 704 CA LEU A 42 5.148 -4.311 2.655 1.00 0.00 C ATOM 705 C LEU A 42 5.592 -4.603 1.225 1.00 0.00 C ATOM 706 O LEU A 42 5.093 -5.531 0.588 1.00 0.00 O ATOM 707 CB LEU A 42 4.088 -3.202 2.676 1.00 0.00 C ATOM 708 CG LEU A 42 4.346 -2.023 1.735 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.782 -2.309 0.352 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.740 -0.749 2.305 1.00 0.00 C ATOM 0 H LEU A 42 6.256 -2.993 3.853 1.00 0.00 H new ATOM 0 HA LEU A 42 4.704 -5.217 3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.123 -3.641 2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.007 -2.820 3.694 1.00 0.00 H new ATOM 0 HG LEU A 42 5.423 -1.884 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.975 -1.459 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.259 -3.199 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.707 -2.474 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.932 0.081 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.664 -0.879 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.189 -0.535 3.275 1.00 0.00 H new ATOM 722 N VAL A 43 6.539 -3.812 0.728 1.00 0.00 N ATOM 723 CA VAL A 43 7.051 -4.000 -0.624 1.00 0.00 C ATOM 724 C VAL A 43 7.741 -5.354 -0.753 1.00 0.00 C ATOM 725 O VAL A 43 7.554 -6.067 -1.740 1.00 0.00 O ATOM 726 CB VAL A 43 8.043 -2.884 -1.014 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.543 -3.081 -2.438 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.398 -1.515 -0.854 1.00 0.00 C ATOM 0 H VAL A 43 6.965 -3.039 1.239 1.00 0.00 H new ATOM 0 HA VAL A 43 6.198 -3.959 -1.301 1.00 0.00 H new ATOM 0 HB VAL A 43 8.900 -2.939 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.241 -2.283 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.048 -4.044 -2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.698 -3.057 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.113 -0.741 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.521 -1.449 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.098 -1.373 0.184 1.00 0.00 H new ATOM 738 N GLY A 44 8.536 -5.707 0.255 1.00 0.00 N ATOM 739 CA GLY A 44 9.236 -6.979 0.235 1.00 0.00 C ATOM 740 C GLY A 44 8.285 -8.153 0.122 1.00 0.00 C ATOM 741 O GLY A 44 8.408 -8.975 -0.787 1.00 0.00 O ATOM 0 H GLY A 44 8.707 -5.136 1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.932 -6.996 -0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.829 -7.080 1.144 1.00 0.00 H new ATOM 745 N ASP A 45 7.330 -8.230 1.045 1.00 0.00 N ATOM 746 CA ASP A 45 6.351 -9.310 1.039 1.00 0.00 C ATOM 747 C ASP A 45 5.557 -9.308 -0.264 1.00 0.00 C ATOM 748 O ASP A 45 5.317 -10.361 -0.859 1.00 0.00 O ATOM 749 CB ASP A 45 5.403 -9.177 2.233 1.00 0.00 C ATOM 750 CG ASP A 45 6.140 -8.969 3.543 1.00 0.00 C ATOM 751 OD1 ASP A 45 7.389 -8.946 3.526 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.468 -8.832 4.586 1.00 0.00 O ATOM 0 H ASP A 45 7.214 -7.559 1.804 1.00 0.00 H new ATOM 0 HA ASP A 45 6.886 -10.257 1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.727 -8.339 2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.787 -10.074 2.305 1.00 0.00 H new ATOM 757 N LEU A 46 5.154 -8.119 -0.706 1.00 0.00 N ATOM 758 CA LEU A 46 4.392 -7.980 -1.942 1.00 0.00 C ATOM 759 C LEU A 46 5.077 -8.724 -3.085 1.00 0.00 C ATOM 760 O LEU A 46 4.428 -9.419 -3.864 1.00 0.00 O ATOM 761 CB LEU A 46 4.220 -6.502 -2.304 1.00 0.00 C ATOM 762 CG LEU A 46 2.922 -5.856 -1.813 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.882 -4.384 -2.195 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.711 -6.583 -2.381 1.00 0.00 C ATOM 0 H LEU A 46 5.343 -7.239 -0.226 1.00 0.00 H new ATOM 0 HA LEU A 46 3.407 -8.419 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.062 -5.944 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.269 -6.402 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 46 2.892 -5.934 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.952 -3.941 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.728 -3.867 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.937 -4.288 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.799 -6.108 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.737 -6.538 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.729 -7.625 -2.061 1.00 0.00 H new ATOM 776 N LYS A 47 6.397 -8.579 -3.173 1.00 0.00 N ATOM 777 CA LYS A 47 7.168 -9.247 -4.217 1.00 0.00 C ATOM 778 C LYS A 47 7.125 -10.760 -4.028 1.00 0.00 C ATOM 779 O LYS A 47 6.847 -11.509 -4.967 1.00 0.00 O ATOM 780 CB LYS A 47 8.617 -8.760 -4.204 1.00 0.00 C ATOM 781 CG LYS A 47 8.788 -7.343 -4.730 1.00 0.00 C ATOM 782 CD LYS A 47 9.595 -6.483 -3.770 1.00 0.00 C ATOM 783 CE LYS A 47 11.077 -6.495 -4.114 1.00 0.00 C ATOM 784 NZ LYS A 47 11.885 -7.182 -3.070 1.00 0.00 N ATOM 0 H LYS A 47 6.953 -8.007 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 47 6.723 -9.002 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.999 -8.809 -3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.225 -9.437 -4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.285 -7.372 -5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.808 -6.892 -4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.223 -5.459 -3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.455 -6.845 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.223 -6.994 -5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.431 -5.471 -4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.889 -7.168 -3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.767 -6.691 -2.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.565 -8.167 -2.976 1.00 0.00 H new ATOM 798 N LEU A 48 7.392 -11.205 -2.802 1.00 0.00 N ATOM 799 CA LEU A 48 7.377 -12.630 -2.484 1.00 0.00 C ATOM 800 C LEU A 48 6.069 -13.265 -2.943 1.00 0.00 C ATOM 801 O LEU A 48 6.020 -14.457 -3.251 1.00 0.00 O ATOM 802 CB LEU A 48 7.561 -12.843 -0.980 1.00 0.00 C ATOM 803 CG LEU A 48 9.002 -12.724 -0.480 1.00 0.00 C ATOM 804 CD1 LEU A 48 9.076 -13.017 1.011 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.913 -13.664 -1.254 1.00 0.00 C ATOM 0 H LEU A 48 7.621 -10.600 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 48 8.203 -13.107 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.947 -12.116 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.183 -13.832 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 48 9.341 -11.701 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.109 -12.928 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.454 -12.305 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.719 -14.029 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.934 -13.566 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.575 -14.691 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.884 -13.409 -2.313 1.00 0.00 H new ATOM 817 N VAL A 49 5.017 -12.456 -3.001 1.00 0.00 N ATOM 818 CA VAL A 49 3.714 -12.930 -3.440 1.00 0.00 C ATOM 819 C VAL A 49 3.485 -12.571 -4.903 1.00 0.00 C ATOM 820 O VAL A 49 2.758 -13.260 -5.619 1.00 0.00 O ATOM 821 CB VAL A 49 2.580 -12.330 -2.588 1.00 0.00 C ATOM 822 CG1 VAL A 49 1.242 -12.947 -2.967 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.865 -12.525 -1.107 1.00 0.00 C ATOM 0 H VAL A 49 5.043 -11.468 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 49 3.703 -14.013 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 49 2.529 -11.260 -2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.453 -12.510 -2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.035 -12.750 -4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.277 -14.024 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.053 -12.095 -0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.945 -13.590 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.801 -12.030 -0.848 1.00 0.00 H new ATOM 833 N ILE A 50 4.119 -11.486 -5.339 1.00 0.00 N ATOM 834 CA ILE A 50 3.996 -11.025 -6.714 1.00 0.00 C ATOM 835 C ILE A 50 5.219 -11.413 -7.539 1.00 0.00 C ATOM 836 O ILE A 50 5.525 -10.795 -8.559 1.00 0.00 O ATOM 837 CB ILE A 50 3.800 -9.498 -6.775 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.626 -9.080 -5.891 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.578 -9.042 -8.205 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.747 -7.673 -5.355 1.00 0.00 C ATOM 0 H ILE A 50 4.725 -10.909 -4.755 1.00 0.00 H new ATOM 0 HA ILE A 50 3.117 -11.512 -7.136 1.00 0.00 H new ATOM 0 HB ILE A 50 4.705 -9.019 -6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.702 -9.164 -6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.547 -9.774 -5.054 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.442 -7.961 -8.225 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.444 -9.310 -8.811 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.689 -9.527 -8.608 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.880 -7.444 -4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.653 -7.589 -4.755 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.796 -6.970 -6.186 1.00 0.00 H new ATOM 852 N ASN A 51 5.913 -12.449 -7.090 1.00 0.00 N ATOM 853 CA ASN A 51 7.104 -12.938 -7.779 1.00 0.00 C ATOM 854 C ASN A 51 6.852 -13.070 -9.279 1.00 0.00 C ATOM 855 O ASN A 51 7.772 -12.944 -10.087 1.00 0.00 O ATOM 856 CB ASN A 51 7.533 -14.288 -7.201 1.00 0.00 C ATOM 857 CG ASN A 51 6.396 -15.292 -7.172 1.00 0.00 C ATOM 858 OD1 ASN A 51 5.673 -15.456 -8.153 1.00 0.00 O ATOM 859 ND2 ASN A 51 6.235 -15.970 -6.042 1.00 0.00 N ATOM 0 H ASN A 51 5.672 -12.971 -6.247 1.00 0.00 H new ATOM 0 HA ASN A 51 7.904 -12.214 -7.627 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.354 -14.690 -7.795 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.912 -14.143 -6.189 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.488 -16.660 -5.963 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.859 -15.801 -5.253 1.00 0.00 H new ATOM 866 N GLU A 52 5.598 -13.320 -9.643 1.00 0.00 N ATOM 867 CA GLU A 52 5.221 -13.463 -11.045 1.00 0.00 C ATOM 868 C GLU A 52 4.624 -12.162 -11.579 1.00 0.00 C ATOM 869 O GLU A 52 3.879 -11.479 -10.875 1.00 0.00 O ATOM 870 CB GLU A 52 4.216 -14.604 -11.210 1.00 0.00 C ATOM 871 CG GLU A 52 4.865 -15.973 -11.330 1.00 0.00 C ATOM 872 CD GLU A 52 5.836 -16.057 -12.491 1.00 0.00 C ATOM 873 OE1 GLU A 52 5.374 -16.198 -13.643 1.00 0.00 O ATOM 874 OE2 GLU A 52 7.060 -15.985 -12.248 1.00 0.00 O ATOM 0 H GLU A 52 4.825 -13.428 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 52 6.119 -13.695 -11.618 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.538 -14.606 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.611 -14.419 -12.098 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.391 -16.204 -10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.090 -16.729 -11.454 1.00 0.00 H new ATOM 881 N PRO A 53 4.944 -11.795 -12.833 1.00 0.00 N ATOM 882 CA PRO A 53 4.436 -10.564 -13.452 1.00 0.00 C ATOM 883 C PRO A 53 2.909 -10.499 -13.465 1.00 0.00 C ATOM 884 O PRO A 53 2.327 -9.418 -13.553 1.00 0.00 O ATOM 885 CB PRO A 53 4.975 -10.628 -14.885 1.00 0.00 C ATOM 886 CG PRO A 53 6.151 -11.539 -14.812 1.00 0.00 C ATOM 887 CD PRO A 53 5.828 -12.544 -13.746 1.00 0.00 C ATOM 0 HA PRO A 53 4.754 -9.679 -12.900 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.222 -11.010 -15.574 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.263 -9.640 -15.243 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.326 -12.029 -15.770 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.058 -10.987 -14.566 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.330 -13.422 -14.158 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.726 -12.895 -13.238 1.00 0.00 H new ATOM 895 N SER A 54 2.267 -11.661 -13.388 1.00 0.00 N ATOM 896 CA SER A 54 0.809 -11.732 -13.400 1.00 0.00 C ATOM 897 C SER A 54 0.201 -10.942 -12.244 1.00 0.00 C ATOM 898 O SER A 54 -0.856 -10.329 -12.389 1.00 0.00 O ATOM 899 CB SER A 54 0.350 -13.190 -13.330 1.00 0.00 C ATOM 900 OG SER A 54 0.181 -13.734 -14.627 1.00 0.00 O ATOM 0 H SER A 54 2.733 -12.566 -13.317 1.00 0.00 H new ATOM 0 HA SER A 54 0.463 -11.287 -14.333 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.082 -13.779 -12.778 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.589 -13.253 -12.781 1.00 0.00 H new ATOM 0 HG SER A 54 -0.111 -14.667 -14.555 1.00 0.00 H new ATOM 906 N ARG A 55 0.868 -10.967 -11.093 1.00 0.00 N ATOM 907 CA ARG A 55 0.383 -10.255 -9.913 1.00 0.00 C ATOM 908 C ARG A 55 0.881 -8.810 -9.877 1.00 0.00 C ATOM 909 O ARG A 55 0.832 -8.158 -8.836 1.00 0.00 O ATOM 910 CB ARG A 55 0.820 -10.987 -8.642 1.00 0.00 C ATOM 911 CG ARG A 55 -0.071 -12.163 -8.279 1.00 0.00 C ATOM 912 CD ARG A 55 0.644 -13.142 -7.362 1.00 0.00 C ATOM 913 NE ARG A 55 -0.080 -14.406 -7.241 1.00 0.00 N ATOM 914 CZ ARG A 55 -0.172 -15.303 -8.221 1.00 0.00 C ATOM 915 NH1 ARG A 55 0.417 -15.083 -9.390 1.00 0.00 N ATOM 916 NH2 ARG A 55 -0.855 -16.424 -8.030 1.00 0.00 N ATOM 0 H ARG A 55 1.743 -11.471 -10.952 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.705 -10.231 -9.967 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.842 -11.343 -8.771 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.831 -10.281 -7.812 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.975 -11.799 -7.790 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.385 -12.677 -9.188 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.646 -13.333 -7.746 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.761 -12.695 -6.375 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.541 -14.613 -6.355 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.944 -14.223 -9.542 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.343 -15.774 -10.137 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.309 -16.598 -7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.926 -17.112 -8.780 1.00 0.00 H new ATOM 930 N LEU A 56 1.356 -8.309 -11.015 1.00 0.00 N ATOM 931 CA LEU A 56 1.857 -6.942 -11.101 1.00 0.00 C ATOM 932 C LEU A 56 0.835 -5.927 -10.579 1.00 0.00 C ATOM 933 O LEU A 56 1.178 -5.038 -9.800 1.00 0.00 O ATOM 934 CB LEU A 56 2.229 -6.605 -12.547 1.00 0.00 C ATOM 935 CG LEU A 56 3.657 -6.977 -12.950 1.00 0.00 C ATOM 936 CD1 LEU A 56 3.837 -6.852 -14.456 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.662 -6.101 -12.218 1.00 0.00 C ATOM 0 H LEU A 56 1.404 -8.831 -11.890 1.00 0.00 H new ATOM 0 HA LEU A 56 2.744 -6.879 -10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.534 -7.116 -13.214 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.091 -5.535 -12.702 1.00 0.00 H new ATOM 0 HG LEU A 56 3.835 -8.015 -12.668 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.859 -7.121 -14.724 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.141 -7.521 -14.962 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.640 -5.825 -14.762 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.673 -6.379 -12.517 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.484 -5.055 -12.469 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.550 -6.240 -11.143 1.00 0.00 H new ATOM 949 N PRO A 57 -0.439 -6.037 -11.009 1.00 0.00 N ATOM 950 CA PRO A 57 -1.502 -5.118 -10.586 1.00 0.00 C ATOM 951 C PRO A 57 -1.463 -4.793 -9.093 1.00 0.00 C ATOM 952 O PRO A 57 -1.887 -3.715 -8.677 1.00 0.00 O ATOM 953 CB PRO A 57 -2.772 -5.888 -10.935 1.00 0.00 C ATOM 954 CG PRO A 57 -2.397 -6.696 -12.126 1.00 0.00 C ATOM 955 CD PRO A 57 -0.945 -7.059 -11.949 1.00 0.00 C ATOM 0 HA PRO A 57 -1.415 -4.146 -11.072 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.092 -6.523 -10.109 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.598 -5.213 -11.157 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.015 -7.591 -12.200 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.547 -6.128 -13.044 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.830 -8.065 -11.546 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.407 -7.032 -12.897 1.00 0.00 H new ATOM 963 N LEU A 58 -0.962 -5.726 -8.290 1.00 0.00 N ATOM 964 CA LEU A 58 -0.878 -5.523 -6.846 1.00 0.00 C ATOM 965 C LEU A 58 -0.072 -4.271 -6.512 1.00 0.00 C ATOM 966 O LEU A 58 -0.353 -3.583 -5.530 1.00 0.00 O ATOM 967 CB LEU A 58 -0.253 -6.745 -6.170 1.00 0.00 C ATOM 968 CG LEU A 58 -1.125 -7.416 -5.108 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.400 -8.601 -4.491 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.523 -6.413 -4.034 1.00 0.00 C ATOM 0 H LEU A 58 -0.609 -6.627 -8.612 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.891 -5.388 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.011 -7.481 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.688 -6.444 -5.709 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.032 -7.783 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.037 -9.065 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.167 -9.329 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.524 -8.259 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.143 -6.907 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.627 -6.016 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.084 -5.597 -4.489 1.00 0.00 H new ATOM 982 N PHE A 59 0.932 -3.980 -7.332 1.00 0.00 N ATOM 983 CA PHE A 59 1.777 -2.811 -7.121 1.00 0.00 C ATOM 984 C PHE A 59 1.016 -1.523 -7.424 1.00 0.00 C ATOM 985 O PHE A 59 1.057 -0.568 -6.648 1.00 0.00 O ATOM 986 CB PHE A 59 3.029 -2.891 -7.997 1.00 0.00 C ATOM 987 CG PHE A 59 3.857 -4.123 -7.765 1.00 0.00 C ATOM 988 CD1 PHE A 59 4.071 -4.603 -6.483 1.00 0.00 C ATOM 989 CD2 PHE A 59 4.426 -4.800 -8.833 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.835 -5.734 -6.270 1.00 0.00 C ATOM 991 CE2 PHE A 59 5.191 -5.932 -8.625 1.00 0.00 C ATOM 992 CZ PHE A 59 5.395 -6.401 -7.342 1.00 0.00 C ATOM 0 H PHE A 59 1.180 -4.538 -8.149 1.00 0.00 H new ATOM 0 HA PHE A 59 2.075 -2.799 -6.072 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.730 -2.858 -9.045 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.646 -2.011 -7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.635 -4.087 -5.640 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.270 -4.439 -9.839 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.994 -6.097 -5.265 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.629 -6.450 -9.465 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.991 -7.287 -7.177 1.00 0.00 H new ATOM 1002 N ASP A 60 0.321 -1.505 -8.557 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.449 -0.336 -8.964 1.00 0.00 C ATOM 1004 C ASP A 60 -1.730 -0.219 -8.147 1.00 0.00 C ATOM 1005 O ASP A 60 -2.256 0.873 -7.954 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.786 -0.411 -10.453 1.00 0.00 C ATOM 1007 CG ASP A 60 0.438 -0.676 -11.311 1.00 0.00 C ATOM 1008 OD1 ASP A 60 0.891 -1.837 -11.356 1.00 0.00 O ATOM 1009 OD2 ASP A 60 0.941 0.282 -11.937 1.00 0.00 O ATOM 0 H ASP A 60 0.276 -2.288 -9.210 1.00 0.00 H new ATOM 0 HA ASP A 60 0.160 0.549 -8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.519 -1.200 -10.617 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.250 0.525 -10.765 1.00 0.00 H new ATOM 1014 N ALA A 61 -2.228 -1.356 -7.682 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.449 -1.396 -6.889 1.00 0.00 C ATOM 1016 C ALA A 61 -3.257 -0.739 -5.522 1.00 0.00 C ATOM 1017 O ALA A 61 -4.051 0.107 -5.111 1.00 0.00 O ATOM 1018 CB ALA A 61 -3.902 -2.836 -6.725 1.00 0.00 C ATOM 0 H ALA A 61 -1.802 -2.269 -7.842 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.216 -0.830 -7.417 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.816 -2.865 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.093 -3.271 -7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.123 -3.407 -6.220 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.208 -1.153 -4.820 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.906 -0.633 -3.487 1.00 0.00 C ATOM 1026 C ILE A 62 -1.322 0.780 -3.535 1.00 0.00 C ATOM 1027 O ILE A 62 -1.557 1.589 -2.639 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.925 -1.558 -2.738 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.380 -3.017 -2.838 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -0.807 -1.140 -1.280 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.276 -4.013 -2.560 1.00 0.00 C ATOM 0 H ILE A 62 -1.546 -1.853 -5.154 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.855 -0.596 -2.952 1.00 0.00 H new ATOM 0 HB ILE A 62 0.056 -1.468 -3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.195 -3.184 -2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.779 -3.198 -3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.111 -1.803 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.440 -0.115 -1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.785 -1.202 -0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.669 -5.026 -2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.530 -3.873 -3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.107 -3.859 -1.551 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.540 1.062 -4.569 1.00 0.00 N ATOM 1044 CA ARG A 63 0.103 2.369 -4.721 1.00 0.00 C ATOM 1045 C ARG A 63 -0.839 3.543 -4.406 1.00 0.00 C ATOM 1046 O ARG A 63 -0.493 4.417 -3.612 1.00 0.00 O ATOM 1047 CB ARG A 63 0.651 2.521 -6.141 1.00 0.00 C ATOM 1048 CG ARG A 63 1.526 3.750 -6.325 1.00 0.00 C ATOM 1049 CD ARG A 63 1.834 4.002 -7.792 1.00 0.00 C ATOM 1050 NE ARG A 63 3.081 4.741 -7.970 1.00 0.00 N ATOM 1051 CZ ARG A 63 3.594 5.058 -9.158 1.00 0.00 C ATOM 1052 NH1 ARG A 63 2.969 4.700 -10.273 1.00 0.00 N ATOM 1053 NH2 ARG A 63 4.732 5.730 -9.230 1.00 0.00 N ATOM 0 H ARG A 63 -0.333 0.403 -5.320 1.00 0.00 H new ATOM 0 HA ARG A 63 0.915 2.404 -3.995 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.228 1.632 -6.396 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.183 2.571 -6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.025 4.621 -5.903 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.457 3.620 -5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.899 3.049 -8.318 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.014 4.560 -8.244 1.00 0.00 H new ATOM 0 HE ARG A 63 3.590 5.032 -7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.093 4.180 -10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.365 4.945 -11.181 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.217 6.005 -8.376 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.124 5.972 -10.140 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.028 3.601 -5.035 1.00 0.00 N ATOM 1068 CA PRO A 64 -2.983 4.701 -4.822 1.00 0.00 C ATOM 1069 C PRO A 64 -3.407 4.867 -3.363 1.00 0.00 C ATOM 1070 O PRO A 64 -3.321 5.963 -2.809 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.192 4.315 -5.686 1.00 0.00 C ATOM 1072 CG PRO A 64 -4.013 2.868 -5.990 1.00 0.00 C ATOM 1073 CD PRO A 64 -2.530 2.633 -6.019 1.00 0.00 C ATOM 0 HA PRO A 64 -2.535 5.659 -5.088 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.127 4.492 -5.155 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.227 4.907 -6.600 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.492 2.248 -5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.468 2.611 -6.947 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.277 1.609 -5.744 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.112 2.810 -7.010 1.00 0.00 H new ATOM 1081 N LEU A 65 -3.877 3.787 -2.746 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.324 3.847 -1.357 1.00 0.00 C ATOM 1083 C LEU A 65 -3.162 4.104 -0.396 1.00 0.00 C ATOM 1084 O LEU A 65 -3.377 4.380 0.785 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.058 2.562 -0.963 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.419 1.263 -1.455 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -3.974 0.406 -0.279 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -5.389 0.493 -2.341 1.00 0.00 C ATOM 0 H LEU A 65 -3.958 2.868 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.015 4.686 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.129 2.523 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.077 2.614 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.539 1.516 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.522 -0.514 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.244 0.955 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.837 0.162 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.917 -0.429 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.288 0.252 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.657 1.104 -3.203 1.00 0.00 H new ATOM 1100 N ILE A 66 -1.931 4.017 -0.899 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.755 4.248 -0.067 1.00 0.00 C ATOM 1102 C ILE A 66 -0.423 5.743 0.008 1.00 0.00 C ATOM 1103 O ILE A 66 -0.604 6.475 -0.963 1.00 0.00 O ATOM 1104 CB ILE A 66 0.469 3.449 -0.590 1.00 0.00 C ATOM 1105 CG1 ILE A 66 1.209 2.794 0.576 1.00 0.00 C ATOM 1106 CG2 ILE A 66 1.421 4.328 -1.397 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.765 1.426 0.245 1.00 0.00 C ATOM 0 H ILE A 66 -1.725 3.790 -1.872 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.988 3.894 0.937 1.00 0.00 H new ATOM 0 HB ILE A 66 0.095 2.674 -1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.026 3.444 0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.530 2.706 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.263 3.729 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.893 4.743 -2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.787 5.140 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.277 1.020 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.950 0.761 -0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.469 1.510 -0.583 1.00 0.00 H new ATOM 1119 N PRO A 67 0.073 6.212 1.169 1.00 0.00 N ATOM 1120 CA PRO A 67 0.436 7.620 1.369 1.00 0.00 C ATOM 1121 C PRO A 67 1.163 8.219 0.191 1.00 0.00 C ATOM 1122 O PRO A 67 2.037 7.605 -0.421 1.00 0.00 O ATOM 1123 CB PRO A 67 1.338 7.571 2.599 1.00 0.00 C ATOM 1124 CG PRO A 67 0.829 6.413 3.385 1.00 0.00 C ATOM 1125 CD PRO A 67 0.329 5.406 2.381 1.00 0.00 C ATOM 0 HA PRO A 67 -0.443 8.253 1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.383 7.434 2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.280 8.497 3.172 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.618 5.986 4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.029 6.722 4.058 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.068 4.627 2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.577 4.910 2.730 1.00 0.00 H new ATOM 1133 N LEU A 68 0.773 9.442 -0.102 1.00 0.00 N ATOM 1134 CA LEU A 68 1.330 10.210 -1.188 1.00 0.00 C ATOM 1135 C LEU A 68 2.856 10.214 -1.139 1.00 0.00 C ATOM 1136 O LEU A 68 3.518 10.047 -2.163 1.00 0.00 O ATOM 1137 CB LEU A 68 0.781 11.619 -1.060 1.00 0.00 C ATOM 1138 CG LEU A 68 -0.335 11.964 -2.039 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -0.790 13.403 -1.845 1.00 0.00 C ATOM 1140 CD2 LEU A 68 0.116 11.732 -3.472 1.00 0.00 C ATOM 0 H LEU A 68 0.048 9.936 0.418 1.00 0.00 H new ATOM 0 HA LEU A 68 1.053 9.771 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.410 11.758 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.599 12.326 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.181 11.307 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.587 13.631 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.159 13.534 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.050 14.076 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.696 11.984 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.980 12.360 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.387 10.685 -3.603 1.00 0.00 H new ATOM 1152 N LYS A 69 3.409 10.385 0.056 1.00 0.00 N ATOM 1153 CA LYS A 69 4.857 10.385 0.225 1.00 0.00 C ATOM 1154 C LYS A 69 5.394 8.968 0.058 1.00 0.00 C ATOM 1155 O LYS A 69 6.460 8.754 -0.528 1.00 0.00 O ATOM 1156 CB LYS A 69 5.239 10.941 1.599 1.00 0.00 C ATOM 1157 CG LYS A 69 4.627 10.177 2.761 1.00 0.00 C ATOM 1158 CD LYS A 69 4.319 11.096 3.934 1.00 0.00 C ATOM 1159 CE LYS A 69 5.394 11.010 5.004 1.00 0.00 C ATOM 1160 NZ LYS A 69 5.156 11.976 6.110 1.00 0.00 N ATOM 0 H LYS A 69 2.881 10.525 0.917 1.00 0.00 H new ATOM 0 HA LYS A 69 5.300 11.026 -0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.324 10.926 1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.928 11.984 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.711 9.686 2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.312 9.392 3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.237 12.124 3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.354 10.828 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.425 9.998 5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.368 11.204 4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.912 11.885 6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.152 12.944 5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.238 11.775 6.555 1.00 0.00 H new ATOM 1174 N HIS A 70 4.635 8.000 0.563 1.00 0.00 N ATOM 1175 CA HIS A 70 5.017 6.601 0.459 1.00 0.00 C ATOM 1176 C HIS A 70 4.971 6.143 -0.991 1.00 0.00 C ATOM 1177 O HIS A 70 5.682 5.220 -1.380 1.00 0.00 O ATOM 1178 CB HIS A 70 4.099 5.729 1.317 1.00 0.00 C ATOM 1179 CG HIS A 70 4.348 5.872 2.784 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.764 5.057 3.731 1.00 0.00 N ATOM 1181 CD2 HIS A 70 5.126 6.745 3.469 1.00 0.00 C ATOM 1182 CE1 HIS A 70 4.172 5.423 4.936 1.00 0.00 C ATOM 1183 NE2 HIS A 70 4.999 6.444 4.804 1.00 0.00 N ATOM 0 H HIS A 70 3.752 8.162 1.048 1.00 0.00 H new ATOM 0 HA HIS A 70 6.038 6.497 0.826 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.062 5.988 1.105 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.232 4.685 1.033 1.00 0.00 H new ATOM 0 HD1 HIS A 70 3.119 4.292 3.534 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.733 7.531 3.045 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.878 4.964 5.869 1.00 0.00 H new ATOM 1192 N GLN A 71 4.137 6.802 -1.796 1.00 0.00 N ATOM 1193 CA GLN A 71 4.018 6.464 -3.209 1.00 0.00 C ATOM 1194 C GLN A 71 5.359 6.656 -3.904 1.00 0.00 C ATOM 1195 O GLN A 71 5.856 5.760 -4.589 1.00 0.00 O ATOM 1196 CB GLN A 71 2.948 7.328 -3.879 1.00 0.00 C ATOM 1197 CG GLN A 71 1.537 6.791 -3.710 1.00 0.00 C ATOM 1198 CD GLN A 71 0.600 7.256 -4.809 1.00 0.00 C ATOM 1199 OE1 GLN A 71 1.040 7.753 -5.847 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -0.699 7.098 -4.587 1.00 0.00 N ATOM 0 H GLN A 71 3.537 7.569 -1.493 1.00 0.00 H new ATOM 0 HA GLN A 71 3.720 5.419 -3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.996 8.336 -3.466 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.172 7.408 -4.943 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.566 5.701 -3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.144 7.109 -2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.020 6.682 -3.713 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.376 7.393 -5.290 1.00 0.00 H new ATOM 1209 N VAL A 72 5.953 7.830 -3.708 1.00 0.00 N ATOM 1210 CA VAL A 72 7.248 8.132 -4.300 1.00 0.00 C ATOM 1211 C VAL A 72 8.289 7.146 -3.797 1.00 0.00 C ATOM 1212 O VAL A 72 8.983 6.504 -4.585 1.00 0.00 O ATOM 1213 CB VAL A 72 7.717 9.556 -3.956 1.00 0.00 C ATOM 1214 CG1 VAL A 72 8.851 9.982 -4.877 1.00 0.00 C ATOM 1215 CG2 VAL A 72 6.560 10.543 -4.033 1.00 0.00 C ATOM 0 H VAL A 72 5.558 8.584 -3.146 1.00 0.00 H new ATOM 0 HA VAL A 72 7.135 8.054 -5.381 1.00 0.00 H new ATOM 0 HB VAL A 72 8.089 9.553 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.170 10.992 -4.619 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.690 9.296 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.506 9.964 -5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.917 11.543 -3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.149 10.544 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.784 10.250 -3.326 1.00 0.00 H new ATOM 1225 N GLU A 73 8.380 7.014 -2.473 1.00 0.00 N ATOM 1226 CA GLU A 73 9.325 6.084 -1.871 1.00 0.00 C ATOM 1227 C GLU A 73 9.046 4.675 -2.370 1.00 0.00 C ATOM 1228 O GLU A 73 9.964 3.879 -2.567 1.00 0.00 O ATOM 1229 CB GLU A 73 9.237 6.136 -0.346 1.00 0.00 C ATOM 1230 CG GLU A 73 10.539 5.776 0.354 1.00 0.00 C ATOM 1231 CD GLU A 73 10.314 5.121 1.702 1.00 0.00 C ATOM 1232 OE1 GLU A 73 9.564 5.693 2.522 1.00 0.00 O ATOM 1233 OE2 GLU A 73 10.887 4.038 1.940 1.00 0.00 O ATOM 0 H GLU A 73 7.814 7.537 -1.805 1.00 0.00 H new ATOM 0 HA GLU A 73 10.335 6.372 -2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.937 7.139 -0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.455 5.454 -0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.115 5.103 -0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.137 6.678 0.487 1.00 0.00 H new ATOM 1240 N TYR A 74 7.770 4.388 -2.607 1.00 0.00 N ATOM 1241 CA TYR A 74 7.370 3.091 -3.126 1.00 0.00 C ATOM 1242 C TYR A 74 8.023 2.887 -4.485 1.00 0.00 C ATOM 1243 O TYR A 74 8.394 1.773 -4.854 1.00 0.00 O ATOM 1244 CB TYR A 74 5.847 3.001 -3.249 1.00 0.00 C ATOM 1245 CG TYR A 74 5.346 1.618 -3.594 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.476 0.568 -2.696 1.00 0.00 C ATOM 1247 CD2 TYR A 74 4.740 1.364 -4.818 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.016 -0.699 -3.006 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.278 0.101 -5.136 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.417 -0.925 -4.227 1.00 0.00 C ATOM 1251 OH TYR A 74 3.958 -2.184 -4.540 1.00 0.00 O ATOM 0 H TYR A 74 6.999 5.036 -2.447 1.00 0.00 H new ATOM 0 HA TYR A 74 7.694 2.310 -2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.396 3.317 -2.308 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.511 3.701 -4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.944 0.743 -1.739 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.628 2.166 -5.532 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.125 -1.506 -2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.810 -0.081 -6.092 1.00 0.00 H new ATOM 0 HH TYR A 74 4.429 -2.516 -5.333 1.00 0.00 H new ATOM 1261 N ASP A 75 8.179 3.991 -5.215 1.00 0.00 N ATOM 1262 CA ASP A 75 8.810 3.956 -6.524 1.00 0.00 C ATOM 1263 C ASP A 75 10.312 3.736 -6.377 1.00 0.00 C ATOM 1264 O ASP A 75 10.918 2.990 -7.144 1.00 0.00 O ATOM 1265 CB ASP A 75 8.541 5.259 -7.281 1.00 0.00 C ATOM 1266 CG ASP A 75 9.024 5.203 -8.716 1.00 0.00 C ATOM 1267 OD1 ASP A 75 8.354 4.550 -9.543 1.00 0.00 O ATOM 1268 OD2 ASP A 75 10.072 5.815 -9.014 1.00 0.00 O ATOM 0 H ASP A 75 7.875 4.918 -4.918 1.00 0.00 H new ATOM 0 HA ASP A 75 8.386 3.129 -7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.472 5.469 -7.268 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.034 6.084 -6.766 1.00 0.00 H new ATOM 1273 N GLN A 76 10.906 4.394 -5.383 1.00 0.00 N ATOM 1274 CA GLN A 76 12.339 4.267 -5.132 1.00 0.00 C ATOM 1275 C GLN A 76 12.701 2.855 -4.676 1.00 0.00 C ATOM 1276 O GLN A 76 13.834 2.407 -4.857 1.00 0.00 O ATOM 1277 CB GLN A 76 12.782 5.283 -4.077 1.00 0.00 C ATOM 1278 CG GLN A 76 12.366 6.711 -4.395 1.00 0.00 C ATOM 1279 CD GLN A 76 13.487 7.708 -4.172 1.00 0.00 C ATOM 1280 OE1 GLN A 76 14.498 7.688 -4.874 1.00 0.00 O ATOM 1281 NE2 GLN A 76 13.311 8.588 -3.193 1.00 0.00 N ATOM 0 H GLN A 76 10.418 5.018 -4.741 1.00 0.00 H new ATOM 0 HA GLN A 76 12.861 4.466 -6.068 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.364 4.998 -3.112 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.867 5.243 -3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.036 6.767 -5.432 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.513 6.984 -3.774 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.457 8.567 -2.636 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.030 9.284 -2.998 1.00 0.00 H new ATOM 1290 N LEU A 77 11.739 2.162 -4.071 1.00 0.00 N ATOM 1291 CA LEU A 77 11.967 0.808 -3.573 1.00 0.00 C ATOM 1292 C LEU A 77 11.690 -0.244 -4.643 1.00 0.00 C ATOM 1293 O LEU A 77 12.288 -1.321 -4.631 1.00 0.00 O ATOM 1294 CB LEU A 77 11.089 0.542 -2.349 1.00 0.00 C ATOM 1295 CG LEU A 77 11.266 1.533 -1.196 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.985 1.640 -0.385 1.00 0.00 C ATOM 1297 CD2 LEU A 77 12.429 1.116 -0.309 1.00 0.00 C ATOM 0 H LEU A 77 10.795 2.515 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 77 13.018 0.735 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.045 0.554 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.300 -0.462 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 77 11.489 2.514 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.129 2.349 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.175 1.986 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.731 0.662 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.540 1.832 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.236 0.125 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.346 1.092 -0.898 1.00 0.00 H new ATOM 1398 N ARG B 103 -4.752 6.945 6.012 1.00 0.00 N ATOM 1399 CA ARG B 103 -6.133 7.007 6.475 1.00 0.00 C ATOM 1400 C ARG B 103 -6.990 5.959 5.771 1.00 0.00 C ATOM 1401 O ARG B 103 -7.910 5.395 6.364 1.00 0.00 O ATOM 1402 CB ARG B 103 -6.713 8.403 6.231 1.00 0.00 C ATOM 1403 CG ARG B 103 -8.124 8.577 6.770 1.00 0.00 C ATOM 1404 CD ARG B 103 -8.348 9.981 7.307 1.00 0.00 C ATOM 1405 NE ARG B 103 -9.090 10.816 6.366 1.00 0.00 N ATOM 1406 CZ ARG B 103 -9.716 11.940 6.705 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -9.692 12.367 7.962 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -10.368 12.640 5.787 1.00 0.00 N ATOM 0 HA ARG B 103 -6.141 6.799 7.545 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -6.062 9.144 6.694 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -6.714 8.605 5.160 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -8.845 8.370 5.979 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -8.304 7.851 7.563 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -8.892 9.926 8.250 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -7.385 10.445 7.522 1.00 0.00 H new ATOM 0 HE ARG B 103 -9.131 10.520 5.391 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -9.192 11.833 8.673 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -10.173 13.229 8.217 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -10.390 12.317 4.820 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -10.848 13.502 6.048 1.00 0.00 H new ATOM 1422 N TYR B 104 -6.679 5.704 4.505 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.418 4.720 3.721 1.00 0.00 C ATOM 1424 C TYR B 104 -7.076 3.303 4.171 1.00 0.00 C ATOM 1425 O TYR B 104 -7.928 2.413 4.161 1.00 0.00 O ATOM 1426 CB TYR B 104 -7.107 4.886 2.233 1.00 0.00 C ATOM 1427 CG TYR B 104 -7.714 6.130 1.622 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -7.251 7.394 1.964 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -8.751 6.038 0.702 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -7.803 8.532 1.408 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -9.308 7.172 0.140 1.00 0.00 C ATOM 1432 CZ TYR B 104 -8.832 8.416 0.497 1.00 0.00 C ATOM 1433 OH TYR B 104 -9.384 9.546 -0.060 1.00 0.00 O ATOM 0 H TYR B 104 -5.922 6.164 4.000 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.483 4.886 3.882 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -6.026 4.915 2.098 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -7.472 4.012 1.694 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -6.445 7.489 2.677 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -9.128 5.066 0.421 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -7.431 9.507 1.685 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -10.112 7.084 -0.575 1.00 0.00 H new ATOM 0 HH TYR B 104 -10.096 9.289 -0.682 1.00 0.00 H new ATOM 1443 N LEU B 105 -5.823 3.103 4.569 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.366 1.796 5.028 1.00 0.00 C ATOM 1445 C LEU B 105 -6.214 1.309 6.198 1.00 0.00 C ATOM 1446 O LEU B 105 -6.712 0.186 6.189 1.00 0.00 O ATOM 1447 CB LEU B 105 -3.891 1.863 5.436 1.00 0.00 C ATOM 1448 CG LEU B 105 -3.009 0.759 4.851 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -2.925 0.888 3.338 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -1.620 0.803 5.470 1.00 0.00 C ATOM 0 H LEU B 105 -5.107 3.829 4.583 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.473 1.087 4.207 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.489 2.829 5.131 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -3.828 1.820 6.523 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.460 -0.204 5.088 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -2.293 0.094 2.940 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -3.924 0.806 2.910 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -2.497 1.856 3.079 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.006 0.011 5.042 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -1.160 1.770 5.264 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -1.697 0.660 6.548 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.376 2.164 7.201 1.00 0.00 N ATOM 1463 CA ARG B 106 -7.167 1.825 8.377 1.00 0.00 C ATOM 1464 C ARG B 106 -8.593 1.451 7.980 1.00 0.00 C ATOM 1465 O ARG B 106 -9.214 0.587 8.600 1.00 0.00 O ATOM 1466 CB ARG B 106 -7.188 2.999 9.359 1.00 0.00 C ATOM 1467 CG ARG B 106 -7.013 2.583 10.810 1.00 0.00 C ATOM 1468 CD ARG B 106 -6.508 3.736 11.662 1.00 0.00 C ATOM 1469 NE ARG B 106 -7.046 3.691 13.019 1.00 0.00 N ATOM 1470 CZ ARG B 106 -6.715 2.768 13.919 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -5.851 1.809 13.608 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -7.250 2.803 15.130 1.00 0.00 N ATOM 0 H ARG B 106 -5.969 3.099 7.223 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.705 0.965 8.862 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -6.396 3.699 9.093 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -8.133 3.532 9.254 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -7.964 2.227 11.205 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -6.312 1.751 10.869 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -5.419 3.707 11.703 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -6.784 4.681 11.194 1.00 0.00 H new ATOM 0 HE ARG B 106 -7.715 4.410 13.293 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -5.438 1.777 12.676 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -5.600 1.104 14.301 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -7.915 3.537 15.373 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -6.997 2.096 15.820 1.00 0.00 H new ATOM 1486 N GLU B 107 -9.104 2.106 6.942 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.455 1.839 6.462 1.00 0.00 C ATOM 1488 C GLU B 107 -10.594 0.386 6.023 1.00 0.00 C ATOM 1489 O GLU B 107 -11.432 -0.353 6.540 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.802 2.776 5.301 1.00 0.00 C ATOM 1491 CG GLU B 107 -11.722 3.919 5.697 1.00 0.00 C ATOM 1492 CD GLU B 107 -10.994 5.245 5.801 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -10.740 5.866 4.747 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -10.677 5.663 6.935 1.00 0.00 O ATOM 0 H GLU B 107 -8.604 2.824 6.418 1.00 0.00 H new ATOM 0 HA GLU B 107 -11.151 2.020 7.281 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -9.881 3.188 4.889 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -11.275 2.198 4.507 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -12.524 4.006 4.964 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -12.189 3.689 6.655 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.762 -0.023 5.069 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.791 -1.392 4.569 1.00 0.00 C ATOM 1503 C ALA B 108 -9.342 -2.370 5.650 1.00 0.00 C ATOM 1504 O ALA B 108 -9.878 -3.474 5.771 1.00 0.00 O ATOM 1505 CB ALA B 108 -8.908 -1.525 3.336 1.00 0.00 C ATOM 0 H ALA B 108 -9.061 0.573 4.628 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.817 -1.634 4.292 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -8.940 -2.553 2.975 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -9.269 -0.855 2.556 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -7.882 -1.263 3.593 1.00 0.00 H new ATOM 1511 N ILE B 109 -8.359 -1.950 6.438 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.830 -2.772 7.517 1.00 0.00 C ATOM 1513 C ILE B 109 -8.931 -3.135 8.513 1.00 0.00 C ATOM 1514 O ILE B 109 -9.169 -4.312 8.788 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.675 -2.045 8.249 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.423 -2.028 7.372 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -6.370 -2.700 9.591 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -4.377 -1.036 7.832 1.00 0.00 C ATOM 0 H ILE B 109 -7.910 -1.038 6.348 1.00 0.00 H new ATOM 0 HA ILE B 109 -7.441 -3.689 7.076 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.991 -1.019 8.441 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.985 -3.026 7.359 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.710 -1.792 6.347 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -5.555 -2.166 10.079 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -7.257 -2.665 10.223 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -6.079 -3.738 9.431 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.517 -1.078 7.164 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.798 -0.031 7.818 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -4.062 -1.284 8.846 1.00 0.00 H new ATOM 1530 N GLN B 110 -9.601 -2.119 9.046 1.00 0.00 N ATOM 1531 CA GLN B 110 -10.676 -2.342 10.004 1.00 0.00 C ATOM 1532 C GLN B 110 -11.822 -3.107 9.359 1.00 0.00 C ATOM 1533 O GLN B 110 -12.465 -3.937 10.002 1.00 0.00 O ATOM 1534 CB GLN B 110 -11.176 -1.009 10.569 1.00 0.00 C ATOM 1535 CG GLN B 110 -10.764 -0.769 12.012 1.00 0.00 C ATOM 1536 CD GLN B 110 -11.750 -1.351 13.005 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -11.551 -2.614 13.367 1.00 0.00 O flip ATOM 1538 NE2 GLN B 110 -12.680 -0.674 13.443 1.00 0.00 N flip ATOM 0 H GLN B 110 -9.420 -1.138 8.832 1.00 0.00 H new ATOM 0 HA GLN B 110 -10.282 -2.941 10.825 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -10.795 -0.196 9.951 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -12.263 -0.979 10.500 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -9.781 -1.207 12.183 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -10.670 0.303 12.185 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -12.795 0.292 13.138 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -13.335 -1.079 14.111 1.00 0.00 H new ATOM 1547 N GLU B 111 -12.067 -2.836 8.081 1.00 0.00 N ATOM 1548 CA GLU B 111 -13.128 -3.521 7.354 1.00 0.00 C ATOM 1549 C GLU B 111 -12.943 -5.026 7.470 1.00 0.00 C ATOM 1550 O GLU B 111 -13.894 -5.767 7.721 1.00 0.00 O ATOM 1551 CB GLU B 111 -13.134 -3.101 5.883 1.00 0.00 C ATOM 1552 CG GLU B 111 -14.410 -3.476 5.148 1.00 0.00 C ATOM 1553 CD GLU B 111 -15.386 -2.320 5.047 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -14.932 -1.177 4.833 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -16.605 -2.559 5.182 1.00 0.00 O ATOM 0 H GLU B 111 -11.549 -2.151 7.531 1.00 0.00 H new ATOM 0 HA GLU B 111 -14.087 -3.243 7.792 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -12.993 -2.022 5.821 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -12.285 -3.563 5.379 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -14.159 -3.823 4.146 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -14.890 -4.308 5.663 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.702 -5.465 7.315 1.00 0.00 N ATOM 1563 CA TYR B 112 -11.378 -6.876 7.429 1.00 0.00 C ATOM 1564 C TYR B 112 -11.508 -7.312 8.880 1.00 0.00 C ATOM 1565 O TYR B 112 -11.913 -8.439 9.167 1.00 0.00 O ATOM 1566 CB TYR B 112 -9.962 -7.150 6.916 1.00 0.00 C ATOM 1567 CG TYR B 112 -9.570 -8.609 6.976 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -9.009 -9.152 8.127 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -9.756 -9.443 5.880 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -8.650 -10.484 8.184 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -9.398 -10.777 5.931 1.00 0.00 C ATOM 1572 CZ TYR B 112 -8.844 -11.292 7.084 1.00 0.00 C ATOM 1573 OH TYR B 112 -8.487 -12.619 7.139 1.00 0.00 O ATOM 0 H TYR B 112 -10.905 -4.863 7.110 1.00 0.00 H new ATOM 0 HA TYR B 112 -12.075 -7.448 6.817 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.884 -6.803 5.886 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -9.252 -6.567 7.503 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -8.852 -8.522 8.990 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -10.187 -9.043 4.974 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -8.219 -10.891 9.087 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -9.551 -11.413 5.072 1.00 0.00 H new ATOM 0 HH TYR B 112 -8.690 -13.048 6.282 1.00 0.00 H new ATOM 1583 N ASP B 113 -11.184 -6.401 9.796 1.00 0.00 N ATOM 1584 CA ASP B 113 -11.291 -6.691 11.217 1.00 0.00 C ATOM 1585 C ASP B 113 -12.733 -7.041 11.564 1.00 0.00 C ATOM 1586 O ASP B 113 -12.993 -7.828 12.475 1.00 0.00 O ATOM 1587 CB ASP B 113 -10.826 -5.492 12.047 1.00 0.00 C ATOM 1588 CG ASP B 113 -10.392 -5.889 13.444 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -11.223 -6.454 14.185 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -9.221 -5.634 13.797 1.00 0.00 O ATOM 0 H ASP B 113 -10.848 -5.463 9.578 1.00 0.00 H new ATOM 0 HA ASP B 113 -10.649 -7.541 11.451 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -9.997 -5.001 11.538 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -11.635 -4.764 12.114 1.00 0.00 H new ATOM 1595 N ASN B 114 -13.668 -6.453 10.819 1.00 0.00 N ATOM 1596 CA ASN B 114 -15.085 -6.705 11.031 1.00 0.00 C ATOM 1597 C ASN B 114 -15.513 -7.997 10.342 1.00 0.00 C ATOM 1598 O ASN B 114 -16.363 -8.729 10.846 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.918 -5.534 10.506 1.00 0.00 C ATOM 1600 CG ASN B 114 -17.342 -5.556 11.031 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -17.764 -6.517 11.674 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -18.090 -4.495 10.755 1.00 0.00 N ATOM 0 H ASN B 114 -13.465 -5.799 10.063 1.00 0.00 H new ATOM 0 HA ASN B 114 -15.255 -6.809 12.103 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -15.442 -4.596 10.793 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -15.935 -5.563 9.417 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -19.056 -4.454 11.079 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -17.699 -3.721 10.219 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.914 -8.272 9.185 1.00 0.00 N ATOM 1610 CA ILE B 115 -15.232 -9.478 8.433 1.00 0.00 C ATOM 1611 C ILE B 115 -14.700 -10.721 9.138 1.00 0.00 C ATOM 1612 O ILE B 115 -15.327 -11.781 9.113 1.00 0.00 O ATOM 1613 CB ILE B 115 -14.656 -9.417 7.005 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -15.169 -8.173 6.278 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -15.016 -10.675 6.227 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -14.265 -7.713 5.155 1.00 0.00 C ATOM 0 H ILE B 115 -14.208 -7.677 8.751 1.00 0.00 H new ATOM 0 HA ILE B 115 -16.319 -9.539 8.373 1.00 0.00 H new ATOM 0 HB ILE B 115 -13.570 -9.357 7.074 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -16.160 -8.381 5.874 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -15.282 -7.362 6.998 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -14.600 -10.612 5.221 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -14.606 -11.547 6.736 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -16.100 -10.767 6.166 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -14.691 -6.827 4.685 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -13.280 -7.473 5.556 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -14.172 -8.507 4.415 1.00 0.00 H new