USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=12 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 -112:sc= -1.54! USER MOD Set 1.2: A 70 HIS : no HD1:sc= -3.16! C(o=-4.7!,f=-11!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS :FLIP no HE2:sc= 0.00554 F(o=-0.56,f=0.0055) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.887 K(o=0.89,f=-1.7!) USER MOD Single : A 23 LYS NZ :NH3+ -117:sc= -0.62 (180deg=-6.67!) USER MOD Single : A 25 TYR OH : rot 160:sc= -1.38 USER MOD Single : A 27 TYR OH : rot 90:sc= -2.06 USER MOD Single : A 32 MET CE :methyl -176:sc= -2.29! (180deg=-2.45!) USER MOD Single : A 34 HIS : no HE2:sc= -1.67 K(o=-1.7,f=-4.6!) USER MOD Single : A 35 GLN : amide:sc= 0.0874 K(o=0.087,f=-3.3!) USER MOD Single : A 36 THR OG1 : rot -78:sc= 0.553 USER MOD Single : A 37 MET CE :methyl 180:sc= -0.0803 (180deg=-0.0803) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.06 K(o=-1.1,f=-9.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.76) USER MOD Single : A 74 TYR OH : rot -117:sc= -0.0401 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -0.275 K(o=-0.28,f=-0.96) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 ASN : amide:sc= -0.0742 X(o=-0.074,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -16.517 2.880 2.964 1.00 0.00 N ATOM 33 CA ARG A 3 -16.637 1.426 2.942 1.00 0.00 C ATOM 34 C ARG A 3 -16.274 0.870 1.569 1.00 0.00 C ATOM 35 O ARG A 3 -15.595 -0.151 1.461 1.00 0.00 O ATOM 36 CB ARG A 3 -18.062 1.006 3.316 1.00 0.00 C ATOM 37 CG ARG A 3 -18.187 0.482 4.737 1.00 0.00 C ATOM 38 CD ARG A 3 -19.496 -0.263 4.942 1.00 0.00 C ATOM 39 NE ARG A 3 -20.606 0.647 5.214 1.00 0.00 N ATOM 40 CZ ARG A 3 -21.888 0.311 5.086 1.00 0.00 C ATOM 41 NH1 ARG A 3 -22.225 -0.911 4.693 1.00 0.00 N ATOM 42 NH2 ARG A 3 -22.836 1.200 5.353 1.00 0.00 N ATOM 0 HA ARG A 3 -15.940 1.017 3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.728 1.860 3.192 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.399 0.236 2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.351 -0.182 4.956 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -18.126 1.313 5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -19.720 -0.853 4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -19.389 -0.963 5.771 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.386 1.595 5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -21.500 -1.599 4.487 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -23.209 -1.163 4.597 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -22.583 2.140 5.656 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -23.818 0.943 5.255 1.00 0.00 H new ATOM 56 N LYS A 4 -16.734 1.547 0.520 1.00 0.00 N ATOM 57 CA LYS A 4 -16.459 1.120 -0.848 1.00 0.00 C ATOM 58 C LYS A 4 -14.960 1.019 -1.100 1.00 0.00 C ATOM 59 O LYS A 4 -14.511 0.177 -1.879 1.00 0.00 O ATOM 60 CB LYS A 4 -17.097 2.087 -1.846 1.00 0.00 C ATOM 61 CG LYS A 4 -18.602 1.919 -1.981 1.00 0.00 C ATOM 62 CD LYS A 4 -19.130 2.594 -3.237 1.00 0.00 C ATOM 63 CE LYS A 4 -19.378 1.587 -4.348 1.00 0.00 C ATOM 64 NZ LYS A 4 -20.624 1.892 -5.104 1.00 0.00 N ATOM 0 H LYS A 4 -17.299 2.393 0.592 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.895 0.130 -0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.880 3.110 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.635 1.945 -2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.849 0.858 -2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.096 2.341 -1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.057 3.119 -3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.415 3.343 -3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.529 1.584 -5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.447 0.586 -3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.758 1.183 -5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.437 1.870 -4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.548 2.837 -5.532 1.00 0.00 H new ATOM 78 N VAL A 5 -14.186 1.871 -0.435 1.00 0.00 N ATOM 79 CA VAL A 5 -12.735 1.857 -0.592 1.00 0.00 C ATOM 80 C VAL A 5 -12.195 0.451 -0.364 1.00 0.00 C ATOM 81 O VAL A 5 -11.287 0.000 -1.062 1.00 0.00 O ATOM 82 CB VAL A 5 -12.048 2.828 0.387 1.00 0.00 C ATOM 83 CG1 VAL A 5 -10.553 2.896 0.114 1.00 0.00 C ATOM 84 CG2 VAL A 5 -12.677 4.210 0.298 1.00 0.00 C ATOM 0 H VAL A 5 -14.536 2.576 0.214 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.514 2.180 -1.609 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.191 2.453 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.086 3.587 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.116 1.905 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.385 3.245 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.179 4.882 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.568 4.595 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.736 4.145 0.550 1.00 0.00 H new ATOM 94 N ALA A 6 -12.773 -0.240 0.612 1.00 0.00 N ATOM 95 CA ALA A 6 -12.370 -1.602 0.929 1.00 0.00 C ATOM 96 C ALA A 6 -12.852 -2.569 -0.146 1.00 0.00 C ATOM 97 O ALA A 6 -12.162 -3.529 -0.486 1.00 0.00 O ATOM 98 CB ALA A 6 -12.906 -2.009 2.293 1.00 0.00 C ATOM 0 H ALA A 6 -13.524 0.123 1.198 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.281 -1.641 0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.596 -3.030 2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.512 -1.336 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.995 -1.953 2.288 1.00 0.00 H new ATOM 104 N ARG A 7 -14.043 -2.305 -0.678 1.00 0.00 N ATOM 105 CA ARG A 7 -14.619 -3.152 -1.717 1.00 0.00 C ATOM 106 C ARG A 7 -13.822 -3.043 -3.012 1.00 0.00 C ATOM 107 O ARG A 7 -13.663 -4.025 -3.736 1.00 0.00 O ATOM 108 CB ARG A 7 -16.081 -2.772 -1.963 1.00 0.00 C ATOM 109 CG ARG A 7 -17.017 -3.968 -2.024 1.00 0.00 C ATOM 110 CD ARG A 7 -18.333 -3.685 -1.317 1.00 0.00 C ATOM 111 NE ARG A 7 -18.973 -4.908 -0.842 1.00 0.00 N ATOM 112 CZ ARG A 7 -20.209 -4.955 -0.346 1.00 0.00 C ATOM 113 NH1 ARG A 7 -20.938 -3.849 -0.258 1.00 0.00 N ATOM 114 NH2 ARG A 7 -20.714 -6.110 0.062 1.00 0.00 N ATOM 0 H ARG A 7 -14.626 -1.513 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.576 -4.186 -1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.412 -2.102 -1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.151 -2.218 -2.899 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -17.211 -4.226 -3.065 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.535 -4.832 -1.566 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -18.155 -3.018 -0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -19.006 -3.165 -1.999 1.00 0.00 H new ATOM 0 HE ARG A 7 -18.443 -5.778 -0.893 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -20.553 -2.958 -0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -21.884 -3.890 0.122 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.157 -6.962 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -21.660 -6.147 0.442 1.00 0.00 H new ATOM 128 N GLU A 8 -13.324 -1.847 -3.297 1.00 0.00 N ATOM 129 CA GLU A 8 -12.543 -1.619 -4.506 1.00 0.00 C ATOM 130 C GLU A 8 -11.180 -2.293 -4.397 1.00 0.00 C ATOM 131 O GLU A 8 -10.768 -3.030 -5.292 1.00 0.00 O ATOM 132 CB GLU A 8 -12.369 -0.120 -4.757 1.00 0.00 C ATOM 133 CG GLU A 8 -13.684 0.626 -4.911 1.00 0.00 C ATOM 134 CD GLU A 8 -14.357 0.351 -6.244 1.00 0.00 C ATOM 135 OE1 GLU A 8 -13.953 0.972 -7.250 1.00 0.00 O ATOM 136 OE2 GLU A 8 -15.285 -0.483 -6.280 1.00 0.00 O ATOM 0 H GLU A 8 -13.446 -1.022 -2.710 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.082 -2.054 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.808 0.316 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.772 0.023 -5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.357 0.340 -4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.504 1.697 -4.813 1.00 0.00 H new ATOM 143 N PHE A 9 -10.489 -2.044 -3.290 1.00 0.00 N ATOM 144 CA PHE A 9 -9.181 -2.638 -3.063 1.00 0.00 C ATOM 145 C PHE A 9 -9.308 -4.150 -2.920 1.00 0.00 C ATOM 146 O PHE A 9 -8.447 -4.904 -3.371 1.00 0.00 O ATOM 147 CB PHE A 9 -8.534 -2.045 -1.809 1.00 0.00 C ATOM 148 CG PHE A 9 -7.167 -2.596 -1.519 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.218 -2.696 -2.523 1.00 0.00 C ATOM 150 CD2 PHE A 9 -6.830 -3.014 -0.241 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.958 -3.202 -2.260 1.00 0.00 C ATOM 152 CE2 PHE A 9 -5.574 -3.520 0.029 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.637 -3.614 -0.982 1.00 0.00 C ATOM 0 H PHE A 9 -10.814 -1.436 -2.538 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.546 -2.416 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.464 -0.963 -1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.182 -2.233 -0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.465 -2.375 -3.524 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.559 -2.943 0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.227 -3.275 -3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.324 -3.842 1.029 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.654 -4.010 -0.773 1.00 0.00 H new ATOM 163 N ARG A 10 -10.399 -4.583 -2.294 1.00 0.00 N ATOM 164 CA ARG A 10 -10.654 -6.003 -2.094 1.00 0.00 C ATOM 165 C ARG A 10 -11.045 -6.674 -3.405 1.00 0.00 C ATOM 166 O ARG A 10 -10.561 -7.759 -3.728 1.00 0.00 O ATOM 167 CB ARG A 10 -11.759 -6.203 -1.055 1.00 0.00 C ATOM 168 CG ARG A 10 -11.972 -7.657 -0.666 1.00 0.00 C ATOM 169 CD ARG A 10 -12.328 -7.794 0.807 1.00 0.00 C ATOM 170 NE ARG A 10 -13.725 -8.173 0.999 1.00 0.00 N ATOM 171 CZ ARG A 10 -14.183 -9.416 0.872 1.00 0.00 C ATOM 172 NH1 ARG A 10 -13.355 -10.405 0.553 1.00 0.00 N ATOM 173 NH2 ARG A 10 -15.469 -9.673 1.066 1.00 0.00 N ATOM 0 H ARG A 10 -11.120 -3.968 -1.917 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.736 -6.464 -1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.514 -5.629 -0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.693 -5.800 -1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.768 -8.085 -1.275 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.068 -8.227 -0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.683 -8.542 1.268 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.135 -6.850 1.316 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.390 -7.440 1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.364 -10.213 0.405 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.710 -11.356 0.457 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.108 -8.918 1.313 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.819 -10.626 0.968 1.00 0.00 H new ATOM 187 N HIS A 11 -11.923 -6.020 -4.162 1.00 0.00 N ATOM 188 CA HIS A 11 -12.373 -6.559 -5.442 1.00 0.00 C ATOM 189 C HIS A 11 -11.206 -6.688 -6.412 1.00 0.00 C ATOM 190 O HIS A 11 -11.060 -7.704 -7.093 1.00 0.00 O ATOM 191 CB HIS A 11 -13.463 -5.671 -6.044 1.00 0.00 C ATOM 192 CG HIS A 11 -14.124 -6.267 -7.246 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.927 -7.450 -7.873 1.00 0.00 N flip ATOM 194 CD2 HIS A 11 -15.127 -5.629 -7.948 1.00 0.00 C flip ATOM 195 CE1 HIS A 11 -14.803 -7.504 -8.929 1.00 0.00 C flip ATOM 196 NE2 HIS A 11 -15.515 -6.394 -8.952 1.00 0.00 N flip ATOM 0 H HIS A 11 -12.335 -5.121 -3.913 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.788 -7.551 -5.266 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.219 -5.473 -5.284 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.027 -4.710 -6.318 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -13.253 -8.169 -7.610 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -15.531 -4.656 -7.713 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.894 -8.323 -9.627 1.00 0.00 H new ATOM 205 N LYS A 12 -10.371 -5.655 -6.470 1.00 0.00 N ATOM 206 CA LYS A 12 -9.211 -5.660 -7.354 1.00 0.00 C ATOM 207 C LYS A 12 -8.292 -6.828 -7.018 1.00 0.00 C ATOM 208 O LYS A 12 -7.948 -7.634 -7.886 1.00 0.00 O ATOM 209 CB LYS A 12 -8.447 -4.340 -7.238 1.00 0.00 C ATOM 210 CG LYS A 12 -9.030 -3.223 -8.087 1.00 0.00 C ATOM 211 CD LYS A 12 -8.484 -3.257 -9.506 1.00 0.00 C ATOM 212 CE LYS A 12 -7.043 -2.778 -9.559 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.941 -1.371 -10.038 1.00 0.00 N ATOM 0 H LYS A 12 -10.476 -4.805 -5.916 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.560 -5.774 -8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.439 -4.025 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.410 -4.503 -7.530 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.116 -3.313 -8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.800 -2.260 -7.631 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.546 -4.273 -9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.101 -2.630 -10.150 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.598 -2.857 -8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.469 -3.428 -10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.942 -1.083 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.342 -1.300 -10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.468 -0.746 -9.395 1.00 0.00 H new ATOM 227 N VAL A 13 -7.902 -6.920 -5.750 1.00 0.00 N ATOM 228 CA VAL A 13 -7.031 -7.995 -5.296 1.00 0.00 C ATOM 229 C VAL A 13 -7.602 -9.352 -5.686 1.00 0.00 C ATOM 230 O VAL A 13 -6.864 -10.267 -6.046 1.00 0.00 O ATOM 231 CB VAL A 13 -6.822 -7.950 -3.769 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.866 -9.047 -3.323 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.310 -6.584 -3.340 1.00 0.00 C ATOM 0 H VAL A 13 -8.176 -6.262 -5.020 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.066 -7.853 -5.783 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.784 -8.122 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.733 -8.997 -2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.277 -10.020 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.902 -8.911 -3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.169 -6.571 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.359 -6.381 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.035 -5.819 -3.620 1.00 0.00 H new ATOM 243 N ASP A 14 -8.921 -9.473 -5.619 1.00 0.00 N ATOM 244 CA ASP A 14 -9.590 -10.717 -5.974 1.00 0.00 C ATOM 245 C ASP A 14 -9.527 -10.954 -7.480 1.00 0.00 C ATOM 246 O ASP A 14 -9.528 -12.097 -7.938 1.00 0.00 O ATOM 247 CB ASP A 14 -11.046 -10.689 -5.509 1.00 0.00 C ATOM 248 CG ASP A 14 -11.591 -12.077 -5.231 1.00 0.00 C ATOM 249 OD1 ASP A 14 -11.316 -12.613 -4.136 1.00 0.00 O ATOM 250 OD2 ASP A 14 -12.289 -12.628 -6.108 1.00 0.00 O ATOM 0 H ASP A 14 -9.548 -8.725 -5.322 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.074 -11.536 -5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.125 -10.083 -4.606 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.659 -10.207 -6.271 1.00 0.00 H new ATOM 255 N PHE A 15 -9.467 -9.868 -8.248 1.00 0.00 N ATOM 256 CA PHE A 15 -9.397 -9.963 -9.698 1.00 0.00 C ATOM 257 C PHE A 15 -8.048 -10.521 -10.129 1.00 0.00 C ATOM 258 O PHE A 15 -7.941 -11.217 -11.139 1.00 0.00 O ATOM 259 CB PHE A 15 -9.624 -8.592 -10.336 1.00 0.00 C ATOM 260 CG PHE A 15 -10.193 -8.663 -11.726 1.00 0.00 C ATOM 261 CD1 PHE A 15 -9.449 -9.196 -12.766 1.00 0.00 C ATOM 262 CD2 PHE A 15 -11.469 -8.198 -11.989 1.00 0.00 C ATOM 263 CE1 PHE A 15 -9.969 -9.263 -14.044 1.00 0.00 C ATOM 264 CE2 PHE A 15 -11.995 -8.261 -13.266 1.00 0.00 C ATOM 265 CZ PHE A 15 -11.244 -8.794 -14.295 1.00 0.00 C ATOM 0 H PHE A 15 -9.466 -8.914 -7.887 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.182 -10.640 -10.035 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.299 -8.014 -9.705 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.677 -8.053 -10.367 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.451 -9.563 -12.575 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -12.061 -7.781 -11.188 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.379 -9.682 -14.846 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.992 -7.894 -13.459 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.652 -8.844 -15.294 1.00 0.00 H new ATOM 275 N LEU A 16 -7.020 -10.199 -9.354 1.00 0.00 N ATOM 276 CA LEU A 16 -5.665 -10.653 -9.646 1.00 0.00 C ATOM 277 C LEU A 16 -5.384 -11.998 -8.986 1.00 0.00 C ATOM 278 O LEU A 16 -4.912 -12.932 -9.632 1.00 0.00 O ATOM 279 CB LEU A 16 -4.645 -9.613 -9.172 1.00 0.00 C ATOM 280 CG LEU A 16 -5.125 -8.160 -9.217 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.308 -7.298 -8.267 1.00 0.00 C ATOM 282 CD2 LEU A 16 -5.041 -7.618 -10.636 1.00 0.00 C ATOM 0 H LEU A 16 -7.099 -9.623 -8.516 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.575 -10.776 -10.725 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.356 -9.852 -8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.748 -9.702 -9.785 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.166 -8.130 -8.897 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.664 -6.269 -8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.416 -7.674 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.258 -7.332 -8.557 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.386 -6.584 -10.652 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.008 -7.661 -10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.669 -8.220 -11.293 1.00 0.00 H new ATOM 294 N ILE A 17 -5.679 -12.084 -7.697 1.00 0.00 N ATOM 295 CA ILE A 17 -5.462 -13.307 -6.938 1.00 0.00 C ATOM 296 C ILE A 17 -6.634 -14.256 -7.067 1.00 0.00 C ATOM 297 O ILE A 17 -6.488 -15.384 -7.537 1.00 0.00 O ATOM 298 CB ILE A 17 -5.250 -13.018 -5.441 1.00 0.00 C ATOM 299 CG1 ILE A 17 -4.355 -11.799 -5.246 1.00 0.00 C ATOM 300 CG2 ILE A 17 -4.656 -14.234 -4.748 1.00 0.00 C ATOM 301 CD1 ILE A 17 -2.950 -11.988 -5.773 1.00 0.00 C ATOM 0 H ILE A 17 -6.072 -11.316 -7.152 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.565 -13.765 -7.356 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.219 -12.801 -4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.809 -10.942 -5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.306 -11.561 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.511 -14.015 -3.690 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.334 -15.081 -4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.696 -14.479 -5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.371 -11.081 -5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.477 -12.824 -5.257 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.987 -12.196 -6.842 1.00 0.00 H new ATOM 313 N GLU A 18 -7.790 -13.800 -6.612 1.00 0.00 N ATOM 314 CA GLU A 18 -8.989 -14.606 -6.632 1.00 0.00 C ATOM 315 C GLU A 18 -8.859 -15.775 -5.667 1.00 0.00 C ATOM 316 O GLU A 18 -9.738 -16.631 -5.573 1.00 0.00 O ATOM 317 CB GLU A 18 -9.294 -15.097 -8.040 1.00 0.00 C ATOM 318 CG GLU A 18 -10.529 -15.959 -8.090 1.00 0.00 C ATOM 319 CD GLU A 18 -11.077 -16.130 -9.493 1.00 0.00 C ATOM 320 OE1 GLU A 18 -10.658 -17.085 -10.181 1.00 0.00 O ATOM 321 OE2 GLU A 18 -11.924 -15.310 -9.903 1.00 0.00 O ATOM 0 H GLU A 18 -7.918 -12.866 -6.222 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.823 -13.984 -6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.425 -14.240 -8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.443 -15.664 -8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.298 -16.940 -7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.299 -15.518 -7.457 1.00 0.00 H new ATOM 328 N ASN A 19 -7.749 -15.790 -4.957 1.00 0.00 N ATOM 329 CA ASN A 19 -7.467 -16.837 -3.984 1.00 0.00 C ATOM 330 C ASN A 19 -7.725 -16.346 -2.563 1.00 0.00 C ATOM 331 O ASN A 19 -7.886 -15.147 -2.328 1.00 0.00 O ATOM 332 CB ASN A 19 -6.019 -17.313 -4.121 1.00 0.00 C ATOM 333 CG ASN A 19 -5.916 -18.654 -4.821 1.00 0.00 C ATOM 334 OD1 ASN A 19 -6.861 -19.102 -5.470 1.00 0.00 O ATOM 335 ND2 ASN A 19 -4.765 -19.303 -4.689 1.00 0.00 N ATOM 0 H ASN A 19 -7.018 -15.083 -5.034 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.136 -17.674 -4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.446 -16.571 -4.677 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.568 -17.387 -3.131 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.638 -20.211 -5.135 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.008 -18.893 -4.141 1.00 0.00 H new ATOM 342 N ASP A 20 -7.766 -17.279 -1.616 1.00 0.00 N ATOM 343 CA ASP A 20 -8.006 -16.941 -0.220 1.00 0.00 C ATOM 344 C ASP A 20 -6.702 -16.926 0.571 1.00 0.00 C ATOM 345 O ASP A 20 -6.432 -15.987 1.322 1.00 0.00 O ATOM 346 CB ASP A 20 -8.986 -17.935 0.406 1.00 0.00 C ATOM 347 CG ASP A 20 -10.417 -17.686 -0.024 1.00 0.00 C ATOM 348 OD1 ASP A 20 -10.964 -16.620 0.327 1.00 0.00 O ATOM 349 OD2 ASP A 20 -10.991 -18.556 -0.711 1.00 0.00 O ATOM 0 H ASP A 20 -7.636 -18.275 -1.792 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.440 -15.942 -0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.698 -18.949 0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.920 -17.871 1.492 1.00 0.00 H new ATOM 354 N ALA A 21 -5.896 -17.968 0.399 1.00 0.00 N ATOM 355 CA ALA A 21 -4.621 -18.072 1.098 1.00 0.00 C ATOM 356 C ALA A 21 -3.752 -16.848 0.833 1.00 0.00 C ATOM 357 O ALA A 21 -3.200 -16.250 1.759 1.00 0.00 O ATOM 358 CB ALA A 21 -3.892 -19.341 0.682 1.00 0.00 C ATOM 0 H ALA A 21 -6.103 -18.753 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.823 -18.118 2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.942 -19.405 1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.504 -20.209 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.708 -19.319 -0.392 1.00 0.00 H new ATOM 364 N GLU A 22 -3.640 -16.481 -0.436 1.00 0.00 N ATOM 365 CA GLU A 22 -2.843 -15.326 -0.828 1.00 0.00 C ATOM 366 C GLU A 22 -3.402 -14.052 -0.208 1.00 0.00 C ATOM 367 O GLU A 22 -2.658 -13.239 0.338 1.00 0.00 O ATOM 368 CB GLU A 22 -2.806 -15.196 -2.352 1.00 0.00 C ATOM 369 CG GLU A 22 -1.783 -16.107 -3.015 1.00 0.00 C ATOM 370 CD GLU A 22 -1.986 -17.567 -2.658 1.00 0.00 C ATOM 371 OE1 GLU A 22 -1.757 -17.928 -1.485 1.00 0.00 O ATOM 372 OE2 GLU A 22 -2.374 -18.348 -3.552 1.00 0.00 O ATOM 0 H GLU A 22 -4.091 -16.966 -1.212 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.827 -15.473 -0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.795 -15.422 -2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.584 -14.162 -2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.844 -15.989 -4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.781 -15.800 -2.717 1.00 0.00 H new ATOM 379 N LYS A 23 -4.719 -13.887 -0.287 1.00 0.00 N ATOM 380 CA LYS A 23 -5.375 -12.716 0.280 1.00 0.00 C ATOM 381 C LYS A 23 -5.144 -12.660 1.781 1.00 0.00 C ATOM 382 O LYS A 23 -5.031 -11.581 2.361 1.00 0.00 O ATOM 383 CB LYS A 23 -6.875 -12.741 -0.027 1.00 0.00 C ATOM 384 CG LYS A 23 -7.370 -11.494 -0.741 1.00 0.00 C ATOM 385 CD LYS A 23 -8.878 -11.529 -0.936 1.00 0.00 C ATOM 386 CE LYS A 23 -9.269 -11.068 -2.331 1.00 0.00 C ATOM 387 NZ LYS A 23 -10.568 -10.335 -2.333 1.00 0.00 N ATOM 0 H LYS A 23 -5.351 -14.549 -0.738 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.945 -11.823 -0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.097 -13.614 -0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.427 -12.859 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.096 -10.610 -0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.878 -11.408 -1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.244 -12.542 -0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.357 -10.891 -0.193 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.488 -10.422 -2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.339 -11.932 -2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.262 -10.860 -2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.918 -10.246 -1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.431 -9.388 -2.740 1.00 0.00 H new ATOM 401 N ASP A 24 -5.060 -13.829 2.405 1.00 0.00 N ATOM 402 CA ASP A 24 -4.825 -13.909 3.837 1.00 0.00 C ATOM 403 C ASP A 24 -3.483 -13.275 4.182 1.00 0.00 C ATOM 404 O ASP A 24 -3.400 -12.402 5.046 1.00 0.00 O ATOM 405 CB ASP A 24 -4.854 -15.365 4.305 1.00 0.00 C ATOM 406 CG ASP A 24 -4.909 -15.486 5.817 1.00 0.00 C ATOM 407 OD1 ASP A 24 -4.096 -14.823 6.495 1.00 0.00 O ATOM 408 OD2 ASP A 24 -5.764 -16.243 6.321 1.00 0.00 O ATOM 0 H ASP A 24 -5.151 -14.732 1.940 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.618 -13.365 4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.720 -15.866 3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.968 -15.881 3.934 1.00 0.00 H new ATOM 413 N TYR A 25 -2.435 -13.716 3.494 1.00 0.00 N ATOM 414 CA TYR A 25 -1.098 -13.182 3.723 1.00 0.00 C ATOM 415 C TYR A 25 -1.016 -11.731 3.283 1.00 0.00 C ATOM 416 O TYR A 25 -0.480 -10.889 4.005 1.00 0.00 O ATOM 417 CB TYR A 25 -0.047 -14.021 2.993 1.00 0.00 C ATOM 418 CG TYR A 25 1.369 -13.529 3.194 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.064 -13.817 4.361 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.011 -12.779 2.216 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.358 -13.369 4.550 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.305 -12.329 2.397 1.00 0.00 C ATOM 423 CZ TYR A 25 3.974 -12.627 3.566 1.00 0.00 C ATOM 424 OH TYR A 25 5.261 -12.181 3.750 1.00 0.00 O ATOM 0 H TYR A 25 -2.485 -14.439 2.776 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.894 -13.229 4.793 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.116 -15.053 3.336 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.274 -14.024 1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.586 -14.401 5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.490 -12.544 1.300 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.884 -13.600 5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.790 -11.747 1.627 1.00 0.00 H new ATOM 0 HH TYR A 25 5.659 -11.963 2.881 1.00 0.00 H new ATOM 434 N LEU A 26 -1.564 -11.427 2.110 1.00 0.00 N ATOM 435 CA LEU A 26 -1.553 -10.056 1.619 1.00 0.00 C ATOM 436 C LEU A 26 -2.233 -9.168 2.641 1.00 0.00 C ATOM 437 O LEU A 26 -1.737 -8.094 2.977 1.00 0.00 O ATOM 438 CB LEU A 26 -2.253 -9.952 0.263 1.00 0.00 C ATOM 439 CG LEU A 26 -2.352 -8.535 -0.306 1.00 0.00 C ATOM 440 CD1 LEU A 26 -1.017 -8.100 -0.891 1.00 0.00 C ATOM 441 CD2 LEU A 26 -3.449 -8.457 -1.357 1.00 0.00 C ATOM 0 H LEU A 26 -2.014 -12.101 1.491 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.522 -9.732 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.721 -10.579 -0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.259 -10.360 0.358 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.608 -7.855 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.107 -7.090 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.256 -8.115 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.731 -8.783 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.505 -7.442 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.225 -9.149 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.405 -8.724 -0.906 1.00 0.00 H new ATOM 453 N TYR A 27 -3.350 -9.653 3.175 1.00 0.00 N ATOM 454 CA TYR A 27 -4.059 -8.919 4.206 1.00 0.00 C ATOM 455 C TYR A 27 -3.135 -8.759 5.408 1.00 0.00 C ATOM 456 O TYR A 27 -3.184 -7.754 6.116 1.00 0.00 O ATOM 457 CB TYR A 27 -5.343 -9.645 4.615 1.00 0.00 C ATOM 458 CG TYR A 27 -6.590 -9.065 3.986 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.994 -7.765 4.272 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.363 -9.813 3.108 1.00 0.00 C ATOM 461 CE1 TYR A 27 -8.131 -7.230 3.701 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.502 -9.283 2.532 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.881 -7.992 2.831 1.00 0.00 C ATOM 464 OH TYR A 27 -10.017 -7.462 2.261 1.00 0.00 O ATOM 0 H TYR A 27 -3.776 -10.541 2.912 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.345 -7.940 3.820 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.261 -10.696 4.338 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.442 -9.608 5.700 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.408 -7.164 4.952 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.070 -10.825 2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.432 -6.219 3.935 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.092 -9.878 1.851 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.784 -7.021 1.417 1.00 0.00 H new ATOM 474 N ASP A 28 -2.271 -9.759 5.613 1.00 0.00 N ATOM 475 CA ASP A 28 -1.313 -9.725 6.705 1.00 0.00 C ATOM 476 C ASP A 28 -0.213 -8.710 6.410 1.00 0.00 C ATOM 477 O ASP A 28 0.312 -8.071 7.322 1.00 0.00 O ATOM 478 CB ASP A 28 -0.705 -11.111 6.924 1.00 0.00 C ATOM 479 CG ASP A 28 -0.102 -11.266 8.306 1.00 0.00 C ATOM 480 OD1 ASP A 28 1.079 -10.894 8.483 1.00 0.00 O ATOM 481 OD2 ASP A 28 -0.807 -11.759 9.210 1.00 0.00 O ATOM 0 H ASP A 28 -2.221 -10.597 5.034 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.834 -9.425 7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.475 -11.869 6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.064 -11.290 6.173 1.00 0.00 H new ATOM 486 N VAL A 29 0.129 -8.559 5.129 1.00 0.00 N ATOM 487 CA VAL A 29 1.164 -7.612 4.731 1.00 0.00 C ATOM 488 C VAL A 29 0.731 -6.182 5.031 1.00 0.00 C ATOM 489 O VAL A 29 1.434 -5.442 5.719 1.00 0.00 O ATOM 490 CB VAL A 29 1.503 -7.736 3.231 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.617 -6.775 2.847 1.00 0.00 C ATOM 492 CG2 VAL A 29 1.887 -9.168 2.888 1.00 0.00 C ATOM 0 H VAL A 29 -0.293 -9.077 4.358 1.00 0.00 H new ATOM 0 HA VAL A 29 2.056 -7.852 5.310 1.00 0.00 H new ATOM 0 HB VAL A 29 0.615 -7.471 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.839 -6.881 1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.302 -5.752 3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.510 -7.003 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.123 -9.237 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.759 -9.461 3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.055 -9.833 3.119 1.00 0.00 H new ATOM 502 N LEU A 30 -0.436 -5.802 4.520 1.00 0.00 N ATOM 503 CA LEU A 30 -0.963 -4.463 4.745 1.00 0.00 C ATOM 504 C LEU A 30 -1.175 -4.221 6.234 1.00 0.00 C ATOM 505 O LEU A 30 -0.940 -3.123 6.737 1.00 0.00 O ATOM 506 CB LEU A 30 -2.283 -4.275 3.992 1.00 0.00 C ATOM 507 CG LEU A 30 -2.248 -4.676 2.515 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.548 -5.356 2.114 1.00 0.00 C ATOM 509 CD2 LEU A 30 -1.991 -3.457 1.639 1.00 0.00 C ATOM 0 H LEU A 30 -1.032 -6.401 3.949 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.238 -3.740 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.056 -4.858 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.578 -3.228 4.062 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.432 -5.384 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.504 -5.633 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.692 -6.251 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.381 -4.672 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.969 -3.759 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.786 -2.727 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.033 -3.011 1.908 1.00 0.00 H new ATOM 521 N ARG A 31 -1.616 -5.261 6.933 1.00 0.00 N ATOM 522 CA ARG A 31 -1.854 -5.174 8.368 1.00 0.00 C ATOM 523 C ARG A 31 -0.548 -4.925 9.113 1.00 0.00 C ATOM 524 O ARG A 31 -0.486 -4.090 10.015 1.00 0.00 O ATOM 525 CB ARG A 31 -2.513 -6.456 8.877 1.00 0.00 C ATOM 526 CG ARG A 31 -3.118 -6.321 10.264 1.00 0.00 C ATOM 527 CD ARG A 31 -2.145 -6.772 11.342 1.00 0.00 C ATOM 528 NE ARG A 31 -2.690 -6.585 12.684 1.00 0.00 N ATOM 529 CZ ARG A 31 -1.948 -6.559 13.790 1.00 0.00 C ATOM 530 NH1 ARG A 31 -0.631 -6.712 13.718 1.00 0.00 N ATOM 531 NH2 ARG A 31 -2.524 -6.380 14.970 1.00 0.00 N ATOM 0 H ARG A 31 -1.816 -6.175 6.528 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.526 -4.336 8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.293 -6.756 8.177 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.772 -7.255 8.889 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.401 -5.283 10.439 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.030 -6.915 10.324 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.901 -7.824 11.193 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.214 -6.212 11.247 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.699 -6.467 12.780 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.182 -6.850 12.812 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.068 -6.691 14.568 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.535 -6.262 15.031 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.956 -6.360 15.817 1.00 0.00 H new ATOM 545 N MET A 32 0.496 -5.653 8.725 1.00 0.00 N ATOM 546 CA MET A 32 1.803 -5.503 9.353 1.00 0.00 C ATOM 547 C MET A 32 2.401 -4.143 9.016 1.00 0.00 C ATOM 548 O MET A 32 3.046 -3.510 9.852 1.00 0.00 O ATOM 549 CB MET A 32 2.743 -6.620 8.896 1.00 0.00 C ATOM 550 CG MET A 32 3.337 -7.419 10.043 1.00 0.00 C ATOM 551 SD MET A 32 4.967 -8.084 9.655 1.00 0.00 S ATOM 552 CE MET A 32 5.970 -6.604 9.758 1.00 0.00 C ATOM 0 H MET A 32 0.461 -6.350 7.981 1.00 0.00 H new ATOM 0 HA MET A 32 1.677 -5.571 10.434 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.198 -7.296 8.237 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.552 -6.186 8.309 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.409 -6.783 10.925 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.665 -8.239 10.296 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.996 -6.839 9.473 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.571 -5.846 9.084 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.955 -6.225 10.780 1.00 0.00 H new ATOM 562 N TYR A 33 2.173 -3.698 7.785 1.00 0.00 N ATOM 563 CA TYR A 33 2.681 -2.412 7.327 1.00 0.00 C ATOM 564 C TYR A 33 2.109 -1.277 8.171 1.00 0.00 C ATOM 565 O TYR A 33 2.799 -0.304 8.469 1.00 0.00 O ATOM 566 CB TYR A 33 2.329 -2.203 5.852 1.00 0.00 C ATOM 567 CG TYR A 33 2.689 -0.832 5.322 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.865 -0.202 5.710 1.00 0.00 C ATOM 569 CD2 TYR A 33 1.851 -0.170 4.435 1.00 0.00 C ATOM 570 CE1 TYR A 33 4.196 1.050 5.226 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.174 1.081 3.946 1.00 0.00 C ATOM 572 CZ TYR A 33 3.347 1.687 4.345 1.00 0.00 C ATOM 573 OH TYR A 33 3.672 2.933 3.861 1.00 0.00 O ATOM 0 H TYR A 33 1.638 -4.212 7.085 1.00 0.00 H new ATOM 0 HA TYR A 33 3.766 -2.409 7.436 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.842 -2.958 5.256 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.259 -2.364 5.718 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.531 -0.698 6.400 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.931 -0.641 4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.114 1.527 5.536 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.512 1.582 3.255 1.00 0.00 H new ATOM 0 HH TYR A 33 3.047 3.597 4.220 1.00 0.00 H new ATOM 583 N HIS A 34 0.843 -1.410 8.553 1.00 0.00 N ATOM 584 CA HIS A 34 0.180 -0.394 9.363 1.00 0.00 C ATOM 585 C HIS A 34 0.723 -0.390 10.789 1.00 0.00 C ATOM 586 O HIS A 34 0.762 0.650 11.445 1.00 0.00 O ATOM 587 CB HIS A 34 -1.332 -0.638 9.379 1.00 0.00 C ATOM 588 CG HIS A 34 -2.087 0.308 10.262 1.00 0.00 C ATOM 589 ND1 HIS A 34 -1.980 0.300 11.637 1.00 0.00 N ATOM 590 CD2 HIS A 34 -2.962 1.297 9.961 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.758 1.241 12.143 1.00 0.00 C ATOM 592 NE2 HIS A 34 -3.364 1.861 11.147 1.00 0.00 N ATOM 0 H HIS A 34 0.256 -2.210 8.315 1.00 0.00 H new ATOM 0 HA HIS A 34 0.382 0.580 8.918 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.715 -0.555 8.362 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.523 -1.659 9.709 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.392 -0.333 12.179 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.284 1.588 8.972 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.878 1.465 13.193 1.00 0.00 H new ATOM 601 N GLN A 35 1.136 -1.560 11.263 1.00 0.00 N ATOM 602 CA GLN A 35 1.671 -1.691 12.614 1.00 0.00 C ATOM 603 C GLN A 35 3.112 -1.200 12.690 1.00 0.00 C ATOM 604 O GLN A 35 3.420 -0.251 13.412 1.00 0.00 O ATOM 605 CB GLN A 35 1.592 -3.148 13.076 1.00 0.00 C ATOM 606 CG GLN A 35 1.147 -3.303 14.522 1.00 0.00 C ATOM 607 CD GLN A 35 1.980 -4.313 15.285 1.00 0.00 C ATOM 608 OE1 GLN A 35 1.579 -5.465 15.454 1.00 0.00 O ATOM 609 NE2 GLN A 35 3.147 -3.886 15.751 1.00 0.00 N ATOM 0 H GLN A 35 1.111 -2.431 10.733 1.00 0.00 H new ATOM 0 HA GLN A 35 1.065 -1.070 13.274 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.899 -3.688 12.431 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.570 -3.613 12.953 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.207 -2.336 15.022 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.101 -3.609 14.545 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.440 -2.923 15.588 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.751 -4.521 16.273 1.00 0.00 H new ATOM 618 N THR A 36 3.991 -1.858 11.947 1.00 0.00 N ATOM 619 CA THR A 36 5.405 -1.502 11.931 1.00 0.00 C ATOM 620 C THR A 36 5.644 -0.188 11.191 1.00 0.00 C ATOM 621 O THR A 36 6.617 0.516 11.460 1.00 0.00 O ATOM 622 CB THR A 36 6.226 -2.619 11.284 1.00 0.00 C ATOM 623 OG1 THR A 36 7.585 -2.235 11.162 1.00 0.00 O ATOM 624 CG2 THR A 36 5.733 -3.005 9.907 1.00 0.00 C ATOM 0 H THR A 36 3.749 -2.645 11.345 1.00 0.00 H new ATOM 0 HA THR A 36 5.724 -1.371 12.965 1.00 0.00 H new ATOM 0 HB THR A 36 6.115 -3.479 11.945 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.686 -1.626 10.401 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.360 -3.802 9.506 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.702 -3.353 9.974 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.781 -2.139 9.247 1.00 0.00 H new ATOM 632 N MET A 37 4.756 0.139 10.256 1.00 0.00 N ATOM 633 CA MET A 37 4.886 1.370 9.482 1.00 0.00 C ATOM 634 C MET A 37 6.150 1.338 8.627 1.00 0.00 C ATOM 635 O MET A 37 6.821 2.355 8.454 1.00 0.00 O ATOM 636 CB MET A 37 4.908 2.585 10.413 1.00 0.00 C ATOM 637 CG MET A 37 3.866 3.636 10.064 1.00 0.00 C ATOM 638 SD MET A 37 2.213 3.188 10.627 1.00 0.00 S ATOM 639 CE MET A 37 1.314 3.195 9.078 1.00 0.00 C ATOM 0 H MET A 37 3.943 -0.428 10.017 1.00 0.00 H new ATOM 0 HA MET A 37 4.024 1.451 8.820 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.746 2.250 11.438 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.898 3.041 10.379 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.152 4.588 10.511 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.851 3.782 8.984 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.271 2.936 9.261 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.368 4.187 8.631 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.755 2.466 8.398 1.00 0.00 H new ATOM 649 N ASP A 38 6.468 0.161 8.098 1.00 0.00 N ATOM 650 CA ASP A 38 7.652 -0.009 7.262 1.00 0.00 C ATOM 651 C ASP A 38 7.263 -0.318 5.820 1.00 0.00 C ATOM 652 O ASP A 38 6.743 -1.393 5.523 1.00 0.00 O ATOM 653 CB ASP A 38 8.534 -1.130 7.816 1.00 0.00 C ATOM 654 CG ASP A 38 9.576 -0.615 8.790 1.00 0.00 C ATOM 655 OD1 ASP A 38 10.683 -0.250 8.338 1.00 0.00 O ATOM 656 OD2 ASP A 38 9.286 -0.579 10.004 1.00 0.00 O ATOM 0 H ASP A 38 5.922 -0.690 8.233 1.00 0.00 H new ATOM 0 HA ASP A 38 8.212 0.926 7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.907 -1.869 8.315 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.032 -1.639 6.991 1.00 0.00 H new ATOM 661 N VAL A 39 7.523 0.632 4.929 1.00 0.00 N ATOM 662 CA VAL A 39 7.204 0.463 3.516 1.00 0.00 C ATOM 663 C VAL A 39 8.083 -0.607 2.877 1.00 0.00 C ATOM 664 O VAL A 39 7.703 -1.223 1.880 1.00 0.00 O ATOM 665 CB VAL A 39 7.379 1.783 2.739 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.812 1.658 1.333 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.722 2.934 3.486 1.00 0.00 C ATOM 0 H VAL A 39 7.954 1.527 5.160 1.00 0.00 H new ATOM 0 HA VAL A 39 6.161 0.152 3.463 1.00 0.00 H new ATOM 0 HB VAL A 39 8.445 1.994 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.946 2.600 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.334 0.863 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.750 1.420 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.856 3.857 2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.657 2.731 3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.181 3.039 4.469 1.00 0.00 H new ATOM 677 N ALA A 40 9.255 -0.832 3.461 1.00 0.00 N ATOM 678 CA ALA A 40 10.180 -1.832 2.951 1.00 0.00 C ATOM 679 C ALA A 40 9.689 -3.235 3.278 1.00 0.00 C ATOM 680 O ALA A 40 10.035 -4.201 2.599 1.00 0.00 O ATOM 681 CB ALA A 40 11.570 -1.609 3.524 1.00 0.00 C ATOM 0 H ALA A 40 9.585 -0.334 4.288 1.00 0.00 H new ATOM 0 HA ALA A 40 10.231 -1.731 1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.250 -2.365 3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.926 -0.619 3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.532 -1.683 4.611 1.00 0.00 H new ATOM 687 N VAL A 41 8.876 -3.336 4.325 1.00 0.00 N ATOM 688 CA VAL A 41 8.335 -4.619 4.741 1.00 0.00 C ATOM 689 C VAL A 41 7.164 -5.029 3.856 1.00 0.00 C ATOM 690 O VAL A 41 7.057 -6.185 3.448 1.00 0.00 O ATOM 691 CB VAL A 41 7.881 -4.587 6.213 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.348 -5.947 6.643 1.00 0.00 C ATOM 693 CG2 VAL A 41 9.027 -4.151 7.112 1.00 0.00 C ATOM 0 H VAL A 41 8.580 -2.545 4.897 1.00 0.00 H new ATOM 0 HA VAL A 41 9.134 -5.353 4.639 1.00 0.00 H new ATOM 0 HB VAL A 41 7.073 -3.861 6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.033 -5.901 7.686 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.497 -6.218 6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.132 -6.696 6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.690 -4.134 8.148 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.855 -4.852 7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.358 -3.154 6.821 1.00 0.00 H new ATOM 703 N LEU A 42 6.288 -4.074 3.556 1.00 0.00 N ATOM 704 CA LEU A 42 5.129 -4.345 2.715 1.00 0.00 C ATOM 705 C LEU A 42 5.570 -4.681 1.293 1.00 0.00 C ATOM 706 O LEU A 42 5.011 -5.570 0.652 1.00 0.00 O ATOM 707 CB LEU A 42 4.170 -3.148 2.713 1.00 0.00 C ATOM 708 CG LEU A 42 4.533 -2.009 1.756 1.00 0.00 C ATOM 709 CD1 LEU A 42 4.014 -2.305 0.356 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.973 -0.689 2.264 1.00 0.00 C ATOM 0 H LEU A 42 6.359 -3.110 3.882 1.00 0.00 H new ATOM 0 HA LEU A 42 4.600 -5.205 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.172 -3.506 2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.118 -2.746 3.725 1.00 0.00 H new ATOM 0 HG LEU A 42 5.619 -1.928 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.280 -1.486 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.460 -3.230 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.930 -2.411 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.240 0.110 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.888 -0.758 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.389 -0.472 3.248 1.00 0.00 H new ATOM 722 N VAL A 43 6.584 -3.968 0.808 1.00 0.00 N ATOM 723 CA VAL A 43 7.103 -4.200 -0.534 1.00 0.00 C ATOM 724 C VAL A 43 7.742 -5.582 -0.631 1.00 0.00 C ATOM 725 O VAL A 43 7.556 -6.296 -1.618 1.00 0.00 O ATOM 726 CB VAL A 43 8.140 -3.131 -0.930 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.634 -3.361 -2.353 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.549 -1.737 -0.787 1.00 0.00 C ATOM 0 H VAL A 43 7.060 -3.228 1.324 1.00 0.00 H new ATOM 0 HA VAL A 43 6.260 -4.139 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 43 8.993 -3.214 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.365 -2.595 -2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.098 -4.345 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.792 -3.308 -3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.295 -0.995 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.678 -1.643 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.250 -1.573 0.248 1.00 0.00 H new ATOM 738 N GLY A 44 8.489 -5.958 0.404 1.00 0.00 N ATOM 739 CA GLY A 44 9.135 -7.257 0.416 1.00 0.00 C ATOM 740 C GLY A 44 8.137 -8.390 0.298 1.00 0.00 C ATOM 741 O GLY A 44 8.276 -9.264 -0.559 1.00 0.00 O ATOM 0 H GLY A 44 8.657 -5.387 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.848 -7.315 -0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.704 -7.370 1.339 1.00 0.00 H new ATOM 745 N ASP A 45 7.124 -8.372 1.158 1.00 0.00 N ATOM 746 CA ASP A 45 6.095 -9.402 1.142 1.00 0.00 C ATOM 747 C ASP A 45 5.356 -9.399 -0.192 1.00 0.00 C ATOM 748 O ASP A 45 5.094 -10.455 -0.770 1.00 0.00 O ATOM 749 CB ASP A 45 5.106 -9.184 2.290 1.00 0.00 C ATOM 750 CG ASP A 45 5.737 -9.422 3.647 1.00 0.00 C ATOM 751 OD1 ASP A 45 6.769 -10.123 3.708 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.197 -8.910 4.651 1.00 0.00 O ATOM 0 H ASP A 45 6.995 -7.656 1.873 1.00 0.00 H new ATOM 0 HA ASP A 45 6.577 -10.371 1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.720 -8.166 2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.255 -9.854 2.165 1.00 0.00 H new ATOM 757 N LEU A 46 5.025 -8.205 -0.679 1.00 0.00 N ATOM 758 CA LEU A 46 4.321 -8.068 -1.949 1.00 0.00 C ATOM 759 C LEU A 46 5.033 -8.852 -3.046 1.00 0.00 C ATOM 760 O LEU A 46 4.394 -9.514 -3.861 1.00 0.00 O ATOM 761 CB LEU A 46 4.209 -6.592 -2.343 1.00 0.00 C ATOM 762 CG LEU A 46 2.911 -5.900 -1.917 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.875 -4.470 -2.436 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.697 -6.676 -2.413 1.00 0.00 C ATOM 0 H LEU A 46 5.233 -7.321 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 46 3.317 -8.475 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.050 -6.052 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.305 -6.513 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 46 2.880 -5.875 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.946 -3.993 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.721 -3.915 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.932 -4.476 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.786 -6.166 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.723 -6.735 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.712 -7.682 -1.994 1.00 0.00 H new ATOM 776 N LYS A 47 6.361 -8.777 -3.057 1.00 0.00 N ATOM 777 CA LYS A 47 7.155 -9.491 -4.051 1.00 0.00 C ATOM 778 C LYS A 47 7.027 -10.998 -3.855 1.00 0.00 C ATOM 779 O LYS A 47 6.736 -11.738 -4.798 1.00 0.00 O ATOM 780 CB LYS A 47 8.625 -9.074 -3.958 1.00 0.00 C ATOM 781 CG LYS A 47 8.969 -7.862 -4.809 1.00 0.00 C ATOM 782 CD LYS A 47 9.964 -6.951 -4.106 1.00 0.00 C ATOM 783 CE LYS A 47 10.711 -6.073 -5.095 1.00 0.00 C ATOM 784 NZ LYS A 47 11.759 -5.253 -4.427 1.00 0.00 N ATOM 0 H LYS A 47 6.908 -8.231 -2.391 1.00 0.00 H new ATOM 0 HA LYS A 47 6.778 -9.234 -5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.867 -8.858 -2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.252 -9.912 -4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.385 -8.191 -5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.060 -7.304 -5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.439 -6.324 -3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.676 -7.554 -3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.172 -6.698 -5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.005 -5.416 -5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.246 -4.668 -5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.317 -4.638 -3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.447 -5.880 -3.964 1.00 0.00 H new ATOM 798 N LEU A 48 7.234 -11.446 -2.617 1.00 0.00 N ATOM 799 CA LEU A 48 7.132 -12.865 -2.290 1.00 0.00 C ATOM 800 C LEU A 48 5.805 -13.432 -2.782 1.00 0.00 C ATOM 801 O LEU A 48 5.696 -14.624 -3.073 1.00 0.00 O ATOM 802 CB LEU A 48 7.263 -13.073 -0.781 1.00 0.00 C ATOM 803 CG LEU A 48 8.698 -13.176 -0.263 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.830 -12.491 1.089 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.125 -14.633 -0.168 1.00 0.00 C ATOM 0 H LEU A 48 7.473 -10.847 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 48 7.944 -13.392 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.768 -12.246 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.728 -13.983 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 48 9.356 -12.669 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.858 -12.575 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.565 -11.438 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.161 -12.968 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.149 -14.689 0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.462 -15.162 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.070 -15.093 -1.155 1.00 0.00 H new ATOM 817 N VAL A 49 4.802 -12.566 -2.883 1.00 0.00 N ATOM 818 CA VAL A 49 3.487 -12.971 -3.354 1.00 0.00 C ATOM 819 C VAL A 49 3.327 -12.629 -4.830 1.00 0.00 C ATOM 820 O VAL A 49 2.576 -13.282 -5.554 1.00 0.00 O ATOM 821 CB VAL A 49 2.366 -12.284 -2.552 1.00 0.00 C ATOM 822 CG1 VAL A 49 1.007 -12.844 -2.942 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.607 -12.441 -1.058 1.00 0.00 C ATOM 0 H VAL A 49 4.877 -11.577 -2.644 1.00 0.00 H new ATOM 0 HA VAL A 49 3.406 -14.049 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 49 2.375 -11.220 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.229 -12.346 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.835 -12.674 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.982 -13.914 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.805 -11.950 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.627 -13.500 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.561 -11.986 -0.794 1.00 0.00 H new ATOM 833 N ILE A 50 4.046 -11.598 -5.268 1.00 0.00 N ATOM 834 CA ILE A 50 3.995 -11.161 -6.656 1.00 0.00 C ATOM 835 C ILE A 50 5.217 -11.644 -7.433 1.00 0.00 C ATOM 836 O ILE A 50 5.587 -11.075 -8.459 1.00 0.00 O ATOM 837 CB ILE A 50 3.895 -9.626 -6.754 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.696 -9.119 -5.951 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.784 -9.183 -8.203 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.866 -7.703 -5.450 1.00 0.00 C ATOM 0 H ILE A 50 4.672 -11.050 -4.678 1.00 0.00 H new ATOM 0 HA ILE A 50 3.101 -11.601 -7.098 1.00 0.00 H new ATOM 0 HB ILE A 50 4.805 -9.198 -6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.803 -9.172 -6.573 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.532 -9.780 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.715 -8.096 -8.247 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.665 -9.513 -8.753 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.892 -9.622 -8.650 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.980 -7.407 -4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.741 -7.649 -4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.000 -7.031 -6.298 1.00 0.00 H new ATOM 852 N ASN A 51 5.836 -12.705 -6.934 1.00 0.00 N ATOM 853 CA ASN A 51 7.015 -13.282 -7.576 1.00 0.00 C ATOM 854 C ASN A 51 6.806 -13.426 -9.082 1.00 0.00 C ATOM 855 O ASN A 51 7.758 -13.360 -9.860 1.00 0.00 O ATOM 856 CB ASN A 51 7.337 -14.646 -6.962 1.00 0.00 C ATOM 857 CG ASN A 51 6.124 -15.554 -6.904 1.00 0.00 C ATOM 858 OD1 ASN A 51 5.082 -15.256 -7.489 1.00 0.00 O ATOM 859 ND2 ASN A 51 6.253 -16.669 -6.195 1.00 0.00 N ATOM 0 H ASN A 51 5.542 -13.187 -6.084 1.00 0.00 H new ATOM 0 HA ASN A 51 7.854 -12.606 -7.410 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.121 -15.128 -7.546 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.730 -14.505 -5.955 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.470 -17.318 -6.119 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.135 -16.876 -5.726 1.00 0.00 H new ATOM 866 N GLU A 52 5.552 -13.615 -9.485 1.00 0.00 N ATOM 867 CA GLU A 52 5.216 -13.761 -10.897 1.00 0.00 C ATOM 868 C GLU A 52 4.693 -12.443 -11.467 1.00 0.00 C ATOM 869 O GLU A 52 3.981 -11.703 -10.786 1.00 0.00 O ATOM 870 CB GLU A 52 4.169 -14.862 -11.081 1.00 0.00 C ATOM 871 CG GLU A 52 4.724 -16.265 -10.910 1.00 0.00 C ATOM 872 CD GLU A 52 4.369 -17.181 -12.065 1.00 0.00 C ATOM 873 OE1 GLU A 52 3.235 -17.074 -12.580 1.00 0.00 O ATOM 874 OE2 GLU A 52 5.221 -18.006 -12.454 1.00 0.00 O ATOM 0 H GLU A 52 4.753 -13.670 -8.854 1.00 0.00 H new ATOM 0 HA GLU A 52 6.122 -14.038 -11.437 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.363 -14.709 -10.363 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.731 -14.772 -12.075 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.808 -16.213 -10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.342 -16.692 -9.983 1.00 0.00 H new ATOM 881 N PRO A 53 5.043 -12.125 -12.727 1.00 0.00 N ATOM 882 CA PRO A 53 4.604 -10.884 -13.379 1.00 0.00 C ATOM 883 C PRO A 53 3.085 -10.736 -13.394 1.00 0.00 C ATOM 884 O PRO A 53 2.563 -9.622 -13.448 1.00 0.00 O ATOM 885 CB PRO A 53 5.136 -11.021 -14.810 1.00 0.00 C ATOM 886 CG PRO A 53 6.263 -11.989 -14.711 1.00 0.00 C ATOM 887 CD PRO A 53 5.891 -12.943 -13.612 1.00 0.00 C ATOM 0 HA PRO A 53 4.972 -10.003 -12.853 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.362 -11.384 -15.486 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.474 -10.060 -15.199 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.409 -12.517 -15.654 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.198 -11.478 -14.484 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.353 -13.810 -13.996 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.771 -13.319 -13.091 1.00 0.00 H new ATOM 895 N SER A 54 2.382 -11.862 -13.352 1.00 0.00 N ATOM 896 CA SER A 54 0.923 -11.854 -13.366 1.00 0.00 C ATOM 897 C SER A 54 0.361 -11.086 -12.173 1.00 0.00 C ATOM 898 O SER A 54 -0.691 -10.455 -12.268 1.00 0.00 O ATOM 899 CB SER A 54 0.385 -13.285 -13.361 1.00 0.00 C ATOM 900 OG SER A 54 0.332 -13.816 -14.674 1.00 0.00 O ATOM 0 H SER A 54 2.798 -12.792 -13.308 1.00 0.00 H new ATOM 0 HA SER A 54 0.602 -11.351 -14.278 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.021 -13.913 -12.737 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.611 -13.301 -12.919 1.00 0.00 H new ATOM 0 HG SER A 54 -0.014 -14.732 -14.643 1.00 0.00 H new ATOM 906 N ARG A 55 1.067 -11.149 -11.047 1.00 0.00 N ATOM 907 CA ARG A 55 0.635 -10.463 -9.833 1.00 0.00 C ATOM 908 C ARG A 55 1.155 -9.025 -9.781 1.00 0.00 C ATOM 909 O ARG A 55 1.079 -8.371 -8.742 1.00 0.00 O ATOM 910 CB ARG A 55 1.110 -11.234 -8.601 1.00 0.00 C ATOM 911 CG ARG A 55 0.263 -12.456 -8.283 1.00 0.00 C ATOM 912 CD ARG A 55 1.121 -13.696 -8.091 1.00 0.00 C ATOM 913 NE ARG A 55 0.531 -14.629 -7.135 1.00 0.00 N ATOM 914 CZ ARG A 55 -0.460 -15.469 -7.432 1.00 0.00 C ATOM 915 NH1 ARG A 55 -0.974 -15.493 -8.656 1.00 0.00 N ATOM 916 NH2 ARG A 55 -0.939 -16.284 -6.502 1.00 0.00 N ATOM 0 H ARG A 55 1.940 -11.668 -10.950 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.454 -10.424 -9.842 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.142 -11.548 -8.755 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.105 -10.565 -7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.318 -12.272 -7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.449 -12.627 -9.091 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.254 -14.196 -9.050 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.112 -13.401 -7.745 1.00 0.00 H new ATOM 0 HE ARG A 55 0.899 -14.638 -6.184 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.610 -14.867 -9.374 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.732 -16.138 -8.878 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.549 -16.268 -5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.698 -16.927 -6.729 1.00 0.00 H new ATOM 930 N LEU A 56 1.681 -8.538 -10.900 1.00 0.00 N ATOM 931 CA LEU A 56 2.213 -7.180 -10.977 1.00 0.00 C ATOM 932 C LEU A 56 1.193 -6.140 -10.501 1.00 0.00 C ATOM 933 O LEU A 56 1.489 -5.334 -9.620 1.00 0.00 O ATOM 934 CB LEU A 56 2.643 -6.863 -12.411 1.00 0.00 C ATOM 935 CG LEU A 56 4.054 -7.324 -12.779 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.184 -7.492 -14.286 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.089 -6.336 -12.262 1.00 0.00 C ATOM 0 H LEU A 56 1.751 -9.065 -11.770 1.00 0.00 H new ATOM 0 HA LEU A 56 3.077 -7.129 -10.315 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.935 -7.327 -13.098 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.577 -5.786 -12.564 1.00 0.00 H new ATOM 0 HG LEU A 56 4.234 -8.290 -12.308 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.194 -7.820 -14.530 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.467 -8.236 -14.632 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.984 -6.540 -14.777 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.087 -6.680 -12.533 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.910 -5.356 -12.705 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.012 -6.263 -11.177 1.00 0.00 H new ATOM 949 N PRO A 57 -0.020 -6.134 -11.088 1.00 0.00 N ATOM 950 CA PRO A 57 -1.081 -5.185 -10.739 1.00 0.00 C ATOM 951 C PRO A 57 -1.172 -4.886 -9.241 1.00 0.00 C ATOM 952 O PRO A 57 -1.616 -3.809 -8.848 1.00 0.00 O ATOM 953 CB PRO A 57 -2.367 -5.875 -11.228 1.00 0.00 C ATOM 954 CG PRO A 57 -1.939 -7.157 -11.879 1.00 0.00 C ATOM 955 CD PRO A 57 -0.467 -7.035 -12.155 1.00 0.00 C ATOM 0 HA PRO A 57 -0.896 -4.213 -11.196 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.044 -6.069 -10.396 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.903 -5.241 -11.934 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.141 -8.007 -11.227 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.493 -7.325 -12.803 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.036 -8.001 -12.109 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.272 -6.621 -13.144 1.00 0.00 H new ATOM 963 N LEU A 58 -0.761 -5.837 -8.406 1.00 0.00 N ATOM 964 CA LEU A 58 -0.814 -5.652 -6.957 1.00 0.00 C ATOM 965 C LEU A 58 -0.099 -4.371 -6.531 1.00 0.00 C ATOM 966 O LEU A 58 -0.504 -3.717 -5.572 1.00 0.00 O ATOM 967 CB LEU A 58 -0.205 -6.857 -6.240 1.00 0.00 C ATOM 968 CG LEU A 58 -1.098 -7.488 -5.168 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.370 -8.627 -4.469 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.546 -6.436 -4.161 1.00 0.00 C ATOM 0 H LEU A 58 -0.390 -6.739 -8.705 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.863 -5.563 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.040 -7.617 -6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.733 -6.550 -5.777 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.984 -7.897 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.020 -9.063 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.102 -9.390 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.534 -8.245 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.180 -6.901 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.672 -5.997 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.107 -5.656 -4.675 1.00 0.00 H new ATOM 982 N PHE A 59 0.961 -4.014 -7.247 1.00 0.00 N ATOM 983 CA PHE A 59 1.719 -2.808 -6.932 1.00 0.00 C ATOM 984 C PHE A 59 0.896 -1.557 -7.229 1.00 0.00 C ATOM 985 O PHE A 59 0.757 -0.671 -6.383 1.00 0.00 O ATOM 986 CB PHE A 59 3.023 -2.772 -7.732 1.00 0.00 C ATOM 987 CG PHE A 59 3.865 -4.005 -7.574 1.00 0.00 C ATOM 988 CD1 PHE A 59 4.137 -4.518 -6.316 1.00 0.00 C ATOM 989 CD2 PHE A 59 4.385 -4.650 -8.684 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.914 -5.653 -6.169 1.00 0.00 C ATOM 991 CE2 PHE A 59 5.162 -5.784 -8.544 1.00 0.00 C ATOM 992 CZ PHE A 59 5.428 -6.286 -7.284 1.00 0.00 C ATOM 0 H PHE A 59 1.314 -4.540 -8.046 1.00 0.00 H new ATOM 0 HA PHE A 59 1.955 -2.827 -5.868 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.787 -2.637 -8.788 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.605 -1.904 -7.422 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.738 -4.027 -5.441 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.181 -4.262 -9.671 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.119 -6.044 -5.183 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.561 -6.277 -9.418 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.036 -7.171 -7.171 1.00 0.00 H new ATOM 1002 N ASP A 60 0.344 -1.499 -8.437 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.470 -0.365 -8.851 1.00 0.00 C ATOM 1004 C ASP A 60 -1.824 -0.400 -8.159 1.00 0.00 C ATOM 1005 O ASP A 60 -2.487 0.624 -8.015 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.656 -0.370 -10.370 1.00 0.00 C ATOM 1007 CG ASP A 60 -0.586 1.023 -10.964 1.00 0.00 C ATOM 1008 OD1 ASP A 60 0.338 1.779 -10.599 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -1.458 1.358 -11.794 1.00 0.00 O ATOM 0 H ASP A 60 0.447 -2.225 -9.146 1.00 0.00 H new ATOM 0 HA ASP A 60 0.045 0.551 -8.563 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.112 -0.996 -10.826 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.619 -0.818 -10.614 1.00 0.00 H new ATOM 1014 N ALA A 61 -2.230 -1.589 -7.736 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.501 -1.771 -7.055 1.00 0.00 C ATOM 1016 C ALA A 61 -3.498 -1.112 -5.677 1.00 0.00 C ATOM 1017 O ALA A 61 -4.437 -0.404 -5.313 1.00 0.00 O ATOM 1018 CB ALA A 61 -3.805 -3.256 -6.933 1.00 0.00 C ATOM 0 H ALA A 61 -1.692 -2.447 -7.855 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.279 -1.288 -7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.758 -3.391 -6.422 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.860 -3.699 -7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.015 -3.743 -6.362 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.441 -1.367 -4.910 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.312 -0.821 -3.560 1.00 0.00 C ATOM 1026 C ILE A 62 -1.944 0.664 -3.559 1.00 0.00 C ATOM 1027 O ILE A 62 -2.375 1.414 -2.686 1.00 0.00 O ATOM 1028 CB ILE A 62 -1.262 -1.601 -2.740 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.499 -3.107 -2.860 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -1.305 -1.175 -1.281 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.264 -3.936 -2.580 1.00 0.00 C ATOM 0 H ILE A 62 -1.657 -1.951 -5.202 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.293 -0.929 -3.098 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.274 -1.373 -3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.288 -3.399 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.858 -3.332 -3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.559 -1.734 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.092 -0.109 -1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.295 -1.376 -0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.505 -4.994 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.520 -3.672 -3.289 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.083 -3.740 -1.566 1.00 0.00 H new ATOM 1043 N ARG A 63 -1.129 1.081 -4.522 1.00 0.00 N ATOM 1044 CA ARG A 63 -0.684 2.474 -4.612 1.00 0.00 C ATOM 1045 C ARG A 63 -1.822 3.474 -4.361 1.00 0.00 C ATOM 1046 O ARG A 63 -1.689 4.374 -3.532 1.00 0.00 O ATOM 1047 CB ARG A 63 -0.059 2.739 -5.984 1.00 0.00 C ATOM 1048 CG ARG A 63 1.215 3.567 -5.925 1.00 0.00 C ATOM 1049 CD ARG A 63 2.054 3.386 -7.180 1.00 0.00 C ATOM 1050 NE ARG A 63 2.707 4.629 -7.585 1.00 0.00 N ATOM 1051 CZ ARG A 63 3.188 4.850 -8.807 1.00 0.00 C ATOM 1052 NH1 ARG A 63 3.095 3.914 -9.744 1.00 0.00 N ATOM 1053 NH2 ARG A 63 3.765 6.008 -9.092 1.00 0.00 N ATOM 0 H ARG A 63 -0.760 0.475 -5.255 1.00 0.00 H new ATOM 0 HA ARG A 63 0.059 2.622 -3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.160 1.785 -6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.787 3.253 -6.612 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.961 4.620 -5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.798 3.278 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.809 2.620 -7.004 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.420 3.028 -7.991 1.00 0.00 H new ATOM 0 HE ARG A 63 2.800 5.371 -6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.653 3.020 -9.530 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.465 4.089 -10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.841 6.730 -8.376 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.134 6.178 -10.028 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.951 3.345 -5.081 1.00 0.00 N ATOM 1068 CA PRO A 64 -4.094 4.253 -4.936 1.00 0.00 C ATOM 1069 C PRO A 64 -4.397 4.622 -3.484 1.00 0.00 C ATOM 1070 O PRO A 64 -4.471 5.801 -3.141 1.00 0.00 O ATOM 1071 CB PRO A 64 -5.243 3.444 -5.530 1.00 0.00 C ATOM 1072 CG PRO A 64 -4.603 2.600 -6.578 1.00 0.00 C ATOM 1073 CD PRO A 64 -3.196 2.321 -6.108 1.00 0.00 C ATOM 0 HA PRO A 64 -3.912 5.211 -5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.731 2.832 -4.771 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.007 4.094 -5.956 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.156 1.671 -6.718 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.596 3.115 -7.539 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.105 1.315 -5.698 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.480 2.398 -6.926 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.568 3.613 -2.633 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.856 3.855 -1.224 1.00 0.00 C ATOM 1083 C LEU A 65 -3.608 4.332 -0.487 1.00 0.00 C ATOM 1084 O LEU A 65 -3.700 5.022 0.529 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.419 2.598 -0.558 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.556 1.343 -0.693 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.568 0.545 0.601 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -5.043 0.487 -1.854 1.00 0.00 C ATOM 0 H LEU A 65 -4.513 2.628 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.610 4.641 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.567 2.804 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.401 2.391 -0.983 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.530 1.649 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.948 -0.344 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.174 1.159 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.590 0.247 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.419 -0.403 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.077 0.190 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.983 1.060 -2.779 1.00 0.00 H new ATOM 1100 N ILE A 66 -2.441 3.962 -1.007 1.00 0.00 N ATOM 1101 CA ILE A 66 -1.174 4.352 -0.401 1.00 0.00 C ATOM 1102 C ILE A 66 -0.974 5.870 -0.489 1.00 0.00 C ATOM 1103 O ILE A 66 -1.084 6.454 -1.567 1.00 0.00 O ATOM 1104 CB ILE A 66 0.011 3.632 -1.088 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.003 2.143 -0.737 1.00 0.00 C ATOM 1106 CG2 ILE A 66 1.341 4.259 -0.690 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.104 1.357 -1.416 1.00 0.00 C ATOM 0 H ILE A 66 -2.348 3.392 -1.848 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.205 4.058 0.648 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.107 3.743 -2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.101 2.032 0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.961 1.717 -1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.155 3.732 -1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.352 5.308 -0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.469 4.186 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.038 0.310 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.995 1.438 -2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.073 1.757 -1.118 1.00 0.00 H new ATOM 1119 N PRO A 67 -0.669 6.529 0.648 1.00 0.00 N ATOM 1120 CA PRO A 67 -0.450 7.978 0.689 1.00 0.00 C ATOM 1121 C PRO A 67 0.483 8.458 -0.396 1.00 0.00 C ATOM 1122 O PRO A 67 1.221 7.688 -1.009 1.00 0.00 O ATOM 1123 CB PRO A 67 0.149 8.235 2.082 1.00 0.00 C ATOM 1124 CG PRO A 67 0.408 6.887 2.674 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.509 5.924 1.975 1.00 0.00 C ATOM 0 HA PRO A 67 -1.378 8.522 0.517 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.070 8.813 2.010 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.539 8.808 2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.450 6.598 2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.218 6.893 3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.076 4.925 1.914 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.463 5.827 2.493 1.00 0.00 H new ATOM 1133 N LEU A 68 0.403 9.748 -0.631 1.00 0.00 N ATOM 1134 CA LEU A 68 1.180 10.407 -1.644 1.00 0.00 C ATOM 1135 C LEU A 68 2.668 10.441 -1.292 1.00 0.00 C ATOM 1136 O LEU A 68 3.521 10.457 -2.179 1.00 0.00 O ATOM 1137 CB LEU A 68 0.592 11.793 -1.832 1.00 0.00 C ATOM 1138 CG LEU A 68 1.316 12.891 -1.084 1.00 0.00 C ATOM 1139 CD1 LEU A 68 2.344 13.566 -1.977 1.00 0.00 C ATOM 1140 CD2 LEU A 68 0.332 13.906 -0.522 1.00 0.00 C ATOM 0 H LEU A 68 -0.214 10.374 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 68 1.128 9.855 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.594 12.033 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.449 11.778 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 68 1.844 12.437 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.852 14.352 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.074 12.829 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.844 14.002 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.877 14.685 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.235 14.354 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.352 13.408 0.164 1.00 0.00 H new ATOM 1152 N LYS A 69 2.973 10.434 0.001 1.00 0.00 N ATOM 1153 CA LYS A 69 4.360 10.448 0.451 1.00 0.00 C ATOM 1154 C LYS A 69 4.960 9.050 0.340 1.00 0.00 C ATOM 1155 O LYS A 69 6.053 8.867 -0.204 1.00 0.00 O ATOM 1156 CB LYS A 69 4.454 10.955 1.894 1.00 0.00 C ATOM 1157 CG LYS A 69 3.663 10.123 2.890 1.00 0.00 C ATOM 1158 CD LYS A 69 3.226 10.954 4.086 1.00 0.00 C ATOM 1159 CE LYS A 69 1.772 11.383 3.965 1.00 0.00 C ATOM 1160 NZ LYS A 69 0.861 10.478 4.719 1.00 0.00 N ATOM 0 H LYS A 69 2.283 10.419 0.752 1.00 0.00 H new ATOM 0 HA LYS A 69 4.926 11.126 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.501 10.969 2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.098 11.985 1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.786 9.701 2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.271 9.285 3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.361 10.377 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.861 11.836 4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.662 12.401 4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.483 11.395 2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.120 10.805 4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.947 9.511 4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.120 10.486 5.726 1.00 0.00 H new ATOM 1174 N HIS A 70 4.224 8.062 0.839 1.00 0.00 N ATOM 1175 CA HIS A 70 4.670 6.679 0.778 1.00 0.00 C ATOM 1176 C HIS A 70 4.708 6.201 -0.669 1.00 0.00 C ATOM 1177 O HIS A 70 5.461 5.292 -1.010 1.00 0.00 O ATOM 1178 CB HIS A 70 3.747 5.780 1.603 1.00 0.00 C ATOM 1179 CG HIS A 70 3.794 6.068 3.071 1.00 0.00 C ATOM 1180 ND1 HIS A 70 2.992 5.424 3.991 1.00 0.00 N ATOM 1181 CD2 HIS A 70 4.554 6.936 3.779 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.256 5.883 5.200 1.00 0.00 C ATOM 1183 NE2 HIS A 70 4.200 6.800 5.100 1.00 0.00 N ATOM 0 H HIS A 70 3.318 8.195 1.289 1.00 0.00 H new ATOM 0 HA HIS A 70 5.675 6.623 1.196 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.723 5.901 1.249 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.022 4.739 1.436 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.299 7.609 3.381 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.781 5.563 6.115 1.00 0.00 H new ATOM 0 HE2 HIS A 70 4.602 7.323 5.878 1.00 0.00 H new ATOM 1192 N GLN A 71 3.897 6.829 -1.520 1.00 0.00 N ATOM 1193 CA GLN A 71 3.852 6.471 -2.931 1.00 0.00 C ATOM 1194 C GLN A 71 5.216 6.696 -3.573 1.00 0.00 C ATOM 1195 O GLN A 71 5.753 5.818 -4.246 1.00 0.00 O ATOM 1196 CB GLN A 71 2.786 7.296 -3.657 1.00 0.00 C ATOM 1197 CG GLN A 71 1.462 6.567 -3.818 1.00 0.00 C ATOM 1198 CD GLN A 71 0.483 7.325 -4.695 1.00 0.00 C ATOM 1199 OE1 GLN A 71 0.612 8.534 -4.889 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -0.504 6.615 -5.229 1.00 0.00 N ATOM 0 H GLN A 71 3.266 7.585 -1.255 1.00 0.00 H new ATOM 0 HA GLN A 71 3.592 5.416 -3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.618 8.222 -3.107 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.161 7.574 -4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.643 5.582 -4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.017 6.408 -2.836 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.572 5.615 -5.041 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.194 7.070 -5.827 1.00 0.00 H new ATOM 1209 N VAL A 72 5.778 7.880 -3.344 1.00 0.00 N ATOM 1210 CA VAL A 72 7.088 8.213 -3.884 1.00 0.00 C ATOM 1211 C VAL A 72 8.143 7.282 -3.310 1.00 0.00 C ATOM 1212 O VAL A 72 8.891 6.642 -4.051 1.00 0.00 O ATOM 1213 CB VAL A 72 7.489 9.663 -3.564 1.00 0.00 C ATOM 1214 CG1 VAL A 72 8.639 10.108 -4.457 1.00 0.00 C ATOM 1215 CG2 VAL A 72 6.300 10.602 -3.707 1.00 0.00 C ATOM 0 H VAL A 72 5.347 8.620 -2.790 1.00 0.00 H new ATOM 0 HA VAL A 72 7.026 8.098 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 72 7.823 9.702 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.909 11.136 -4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.499 9.459 -4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.333 10.048 -5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.611 11.621 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.925 10.561 -4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.511 10.298 -3.019 1.00 0.00 H new ATOM 1225 N GLU A 73 8.194 7.196 -1.982 1.00 0.00 N ATOM 1226 CA GLU A 73 9.153 6.323 -1.319 1.00 0.00 C ATOM 1227 C GLU A 73 8.946 4.889 -1.781 1.00 0.00 C ATOM 1228 O GLU A 73 9.901 4.125 -1.925 1.00 0.00 O ATOM 1229 CB GLU A 73 9.012 6.418 0.202 1.00 0.00 C ATOM 1230 CG GLU A 73 10.324 6.219 0.946 1.00 0.00 C ATOM 1231 CD GLU A 73 10.666 7.389 1.849 1.00 0.00 C ATOM 1232 OE1 GLU A 73 10.244 8.523 1.537 1.00 0.00 O ATOM 1233 OE2 GLU A 73 11.353 7.171 2.869 1.00 0.00 O ATOM 0 H GLU A 73 7.586 7.717 -1.350 1.00 0.00 H new ATOM 0 HA GLU A 73 10.160 6.643 -1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.601 7.394 0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.295 5.670 0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.264 5.309 1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.128 6.074 0.225 1.00 0.00 H new ATOM 1240 N TYR A 74 7.691 4.543 -2.048 1.00 0.00 N ATOM 1241 CA TYR A 74 7.360 3.216 -2.534 1.00 0.00 C ATOM 1242 C TYR A 74 8.038 3.002 -3.878 1.00 0.00 C ATOM 1243 O TYR A 74 8.479 1.900 -4.204 1.00 0.00 O ATOM 1244 CB TYR A 74 5.843 3.059 -2.671 1.00 0.00 C ATOM 1245 CG TYR A 74 5.409 1.698 -3.166 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.416 0.595 -2.321 1.00 0.00 C ATOM 1247 CD2 TYR A 74 4.983 1.517 -4.476 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.013 -0.649 -2.769 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.578 0.278 -4.930 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.595 -0.803 -4.072 1.00 0.00 C ATOM 1251 OH TYR A 74 4.189 -2.039 -4.521 1.00 0.00 O ATOM 0 H TYR A 74 6.890 5.165 -1.935 1.00 0.00 H new ATOM 0 HA TYR A 74 7.713 2.469 -1.823 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.379 3.247 -1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.469 3.820 -3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.742 0.712 -1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.968 2.360 -5.151 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.026 -1.497 -2.100 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.249 0.155 -5.951 1.00 0.00 H new ATOM 0 HH TYR A 74 4.790 -2.342 -5.234 1.00 0.00 H new ATOM 1261 N ASP A 75 8.139 4.087 -4.646 1.00 0.00 N ATOM 1262 CA ASP A 75 8.788 4.042 -5.946 1.00 0.00 C ATOM 1263 C ASP A 75 10.298 3.926 -5.772 1.00 0.00 C ATOM 1264 O ASP A 75 10.974 3.251 -6.549 1.00 0.00 O ATOM 1265 CB ASP A 75 8.444 5.288 -6.763 1.00 0.00 C ATOM 1266 CG ASP A 75 7.224 5.087 -7.640 1.00 0.00 C ATOM 1267 OD1 ASP A 75 7.368 4.499 -8.732 1.00 0.00 O ATOM 1268 OD2 ASP A 75 6.124 5.517 -7.235 1.00 0.00 O ATOM 0 H ASP A 75 7.778 5.005 -4.386 1.00 0.00 H new ATOM 0 HA ASP A 75 8.425 3.167 -6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.268 6.125 -6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.296 5.556 -7.387 1.00 0.00 H new ATOM 1273 N GLN A 76 10.822 4.588 -4.740 1.00 0.00 N ATOM 1274 CA GLN A 76 12.251 4.553 -4.460 1.00 0.00 C ATOM 1275 C GLN A 76 12.690 3.148 -4.059 1.00 0.00 C ATOM 1276 O GLN A 76 13.819 2.738 -4.328 1.00 0.00 O ATOM 1277 CB GLN A 76 12.601 5.547 -3.350 1.00 0.00 C ATOM 1278 CG GLN A 76 12.525 7.000 -3.791 1.00 0.00 C ATOM 1279 CD GLN A 76 12.939 7.964 -2.695 1.00 0.00 C ATOM 1280 OE1 GLN A 76 13.889 7.709 -1.954 1.00 0.00 O ATOM 1281 NE2 GLN A 76 12.225 9.077 -2.587 1.00 0.00 N ATOM 0 H GLN A 76 10.277 5.152 -4.088 1.00 0.00 H new ATOM 0 HA GLN A 76 12.782 4.836 -5.369 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.923 5.395 -2.510 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.608 5.337 -2.990 1.00 0.00 H new ATOM 0 HG2 GLN A 76 13.167 7.146 -4.660 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.506 7.228 -4.105 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.446 9.247 -3.223 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.455 9.763 -1.868 1.00 0.00 H new ATOM 1290 N LEU A 77 11.788 2.417 -3.409 1.00 0.00 N ATOM 1291 CA LEU A 77 12.080 1.058 -2.967 1.00 0.00 C ATOM 1292 C LEU A 77 12.021 0.079 -4.134 1.00 0.00 C ATOM 1293 O LEU A 77 12.855 -0.817 -4.249 1.00 0.00 O ATOM 1294 CB LEU A 77 11.094 0.629 -1.878 1.00 0.00 C ATOM 1295 CG LEU A 77 11.393 1.177 -0.483 1.00 0.00 C ATOM 1296 CD1 LEU A 77 10.191 0.993 0.432 1.00 0.00 C ATOM 1297 CD2 LEU A 77 12.620 0.496 0.106 1.00 0.00 C ATOM 0 H LEU A 77 10.850 2.743 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 77 13.091 1.047 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.093 0.947 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.081 -0.460 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 77 11.599 2.244 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.422 1.389 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.334 1.526 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.954 -0.068 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.818 0.899 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.441 -0.577 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.481 0.678 -0.537 1.00 0.00 H new ATOM 1398 N ARG B 103 -5.985 7.236 5.680 1.00 0.00 N ATOM 1399 CA ARG B 103 -7.359 6.822 5.936 1.00 0.00 C ATOM 1400 C ARG B 103 -7.740 5.623 5.072 1.00 0.00 C ATOM 1401 O ARG B 103 -8.347 4.668 5.553 1.00 0.00 O ATOM 1402 CB ARG B 103 -8.320 7.982 5.671 1.00 0.00 C ATOM 1403 CG ARG B 103 -9.728 7.737 6.193 1.00 0.00 C ATOM 1404 CD ARG B 103 -10.056 8.646 7.368 1.00 0.00 C ATOM 1405 NE ARG B 103 -10.903 7.980 8.354 1.00 0.00 N ATOM 1406 CZ ARG B 103 -11.620 8.624 9.272 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -11.593 9.950 9.336 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -12.365 7.942 10.131 1.00 0.00 N ATOM 0 HA ARG B 103 -7.433 6.528 6.983 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -7.922 8.885 6.133 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -8.366 8.167 4.598 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -10.448 7.903 5.392 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -9.827 6.696 6.499 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -9.131 8.971 7.845 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -10.559 9.542 7.004 1.00 0.00 H new ATOM 0 HE ARG B 103 -10.948 6.961 8.338 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -11.021 10.481 8.679 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -12.145 10.438 10.042 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -12.389 6.923 10.089 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -12.914 8.436 10.834 1.00 0.00 H new ATOM 1422 N TYR B 104 -7.384 5.682 3.790 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.692 4.601 2.858 1.00 0.00 C ATOM 1424 C TYR B 104 -7.182 3.261 3.382 1.00 0.00 C ATOM 1425 O TYR B 104 -7.936 2.289 3.464 1.00 0.00 O ATOM 1426 CB TYR B 104 -7.078 4.891 1.488 1.00 0.00 C ATOM 1427 CG TYR B 104 -7.788 5.987 0.725 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -9.166 5.954 0.546 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -7.082 7.054 0.185 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -9.819 6.954 -0.150 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -7.728 8.057 -0.513 1.00 0.00 C ATOM 1432 CZ TYR B 104 -9.096 8.003 -0.677 1.00 0.00 C ATOM 1433 OH TYR B 104 -9.742 8.999 -1.371 1.00 0.00 O ATOM 0 H TYR B 104 -6.882 6.467 3.374 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.776 4.541 2.760 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -6.033 5.170 1.620 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -7.092 3.978 0.893 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -9.736 5.134 0.957 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -6.011 7.101 0.313 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -10.890 6.914 -0.280 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -7.164 8.879 -0.928 1.00 0.00 H new ATOM 0 HH TYR B 104 -9.088 9.663 -1.675 1.00 0.00 H new ATOM 1443 N LEU B 105 -5.903 3.216 3.737 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.297 1.995 4.255 1.00 0.00 C ATOM 1445 C LEU B 105 -6.026 1.518 5.509 1.00 0.00 C ATOM 1446 O LEU B 105 -6.438 0.363 5.597 1.00 0.00 O ATOM 1447 CB LEU B 105 -3.815 2.226 4.562 1.00 0.00 C ATOM 1448 CG LEU B 105 -2.843 1.398 3.718 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -2.365 2.199 2.517 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -1.661 0.941 4.559 1.00 0.00 C ATOM 0 H LEU B 105 -5.266 4.010 3.676 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.383 1.221 3.492 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.590 3.283 4.417 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -3.639 2.004 5.615 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.369 0.514 3.356 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -1.675 1.595 1.928 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -3.220 2.477 1.901 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.857 3.100 2.860 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -0.981 0.354 3.942 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -1.135 1.812 4.951 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -2.019 0.330 5.387 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.181 2.419 6.472 1.00 0.00 N ATOM 1463 CA ARG B 106 -6.862 2.095 7.720 1.00 0.00 C ATOM 1464 C ARG B 106 -8.298 1.652 7.459 1.00 0.00 C ATOM 1465 O ARG B 106 -8.831 0.797 8.168 1.00 0.00 O ATOM 1466 CB ARG B 106 -6.853 3.307 8.654 1.00 0.00 C ATOM 1467 CG ARG B 106 -5.666 3.335 9.604 1.00 0.00 C ATOM 1468 CD ARG B 106 -5.509 4.695 10.264 1.00 0.00 C ATOM 1469 NE ARG B 106 -6.493 4.908 11.324 1.00 0.00 N ATOM 1470 CZ ARG B 106 -7.697 5.443 11.130 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -8.078 5.825 9.916 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -8.524 5.598 12.155 1.00 0.00 N ATOM 0 H ARG B 106 -5.844 3.380 6.413 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.329 1.271 8.194 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -6.849 4.217 8.054 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -7.774 3.313 9.237 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -5.795 2.571 10.370 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -4.756 3.088 9.057 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -4.505 4.782 10.679 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -5.612 5.477 9.512 1.00 0.00 H new ATOM 0 HE ARG B 106 -6.241 4.629 12.272 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -7.447 5.709 9.123 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -9.002 6.234 9.777 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -8.237 5.308 13.090 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -9.447 6.008 12.009 1.00 0.00 H new ATOM 1486 N GLU B 107 -8.920 2.238 6.441 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.296 1.902 6.089 1.00 0.00 C ATOM 1488 C GLU B 107 -10.427 0.419 5.755 1.00 0.00 C ATOM 1489 O GLU B 107 -11.202 -0.301 6.385 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.764 2.753 4.905 1.00 0.00 C ATOM 1491 CG GLU B 107 -12.011 3.570 5.198 1.00 0.00 C ATOM 1492 CD GLU B 107 -12.602 4.199 3.951 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -12.061 5.225 3.490 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -13.606 3.665 3.435 1.00 0.00 O ATOM 0 H GLU B 107 -8.494 2.948 5.845 1.00 0.00 H new ATOM 0 HA GLU B 107 -10.929 2.115 6.951 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -9.959 3.427 4.612 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -10.959 2.100 4.054 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -12.758 2.930 5.667 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -11.767 4.354 5.915 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.665 -0.031 4.764 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.699 -1.430 4.351 1.00 0.00 C ATOM 1503 C ALA B 108 -9.065 -2.326 5.409 1.00 0.00 C ATOM 1504 O ALA B 108 -9.571 -3.409 5.706 1.00 0.00 O ATOM 1505 CB ALA B 108 -8.991 -1.602 3.016 1.00 0.00 C ATOM 0 H ALA B 108 -9.017 0.551 4.233 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.741 -1.727 4.237 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -9.024 -2.650 2.719 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -9.488 -0.995 2.259 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -7.953 -1.284 3.111 1.00 0.00 H new ATOM 1511 N ILE B 109 -7.957 -1.864 5.977 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.248 -2.616 7.005 1.00 0.00 C ATOM 1513 C ILE B 109 -8.172 -2.938 8.179 1.00 0.00 C ATOM 1514 O ILE B 109 -8.334 -4.100 8.554 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.013 -1.832 7.510 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -4.916 -1.833 6.442 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -5.483 -2.416 8.812 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -3.786 -0.870 6.737 1.00 0.00 C ATOM 0 H ILE B 109 -7.529 -0.969 5.742 1.00 0.00 H new ATOM 0 HA ILE B 109 -6.911 -3.551 6.557 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.321 -0.805 7.704 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.510 -2.840 6.350 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.358 -1.579 5.478 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -4.616 -1.844 9.141 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -6.260 -2.368 9.575 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.193 -3.455 8.654 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.045 -0.923 5.939 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.180 0.145 6.799 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.319 -1.137 7.685 1.00 0.00 H new ATOM 1530 N GLN B 110 -8.776 -1.904 8.755 1.00 0.00 N ATOM 1531 CA GLN B 110 -9.680 -2.088 9.883 1.00 0.00 C ATOM 1532 C GLN B 110 -10.893 -2.910 9.472 1.00 0.00 C ATOM 1533 O GLN B 110 -11.404 -3.711 10.256 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.125 -0.736 10.445 1.00 0.00 C ATOM 1535 CG GLN B 110 -9.116 -0.113 11.397 1.00 0.00 C ATOM 1536 CD GLN B 110 -9.395 1.351 11.666 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -9.217 2.201 10.792 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -9.832 1.658 12.882 1.00 0.00 N ATOM 0 H GLN B 110 -8.656 -0.935 8.461 1.00 0.00 H new ATOM 0 HA GLN B 110 -9.142 -2.628 10.662 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -10.305 -0.049 9.618 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -11.074 -0.863 10.966 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -9.126 -0.660 12.340 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -8.115 -0.217 10.979 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -9.966 0.923 13.576 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -10.034 2.629 13.121 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.345 -2.723 8.235 1.00 0.00 N ATOM 1548 CA GLU B 111 -12.489 -3.469 7.730 1.00 0.00 C ATOM 1549 C GLU B 111 -12.249 -4.961 7.904 1.00 0.00 C ATOM 1550 O GLU B 111 -13.134 -5.701 8.333 1.00 0.00 O ATOM 1551 CB GLU B 111 -12.742 -3.141 6.258 1.00 0.00 C ATOM 1552 CG GLU B 111 -14.200 -3.266 5.848 1.00 0.00 C ATOM 1553 CD GLU B 111 -14.367 -3.827 4.449 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -13.568 -4.706 4.064 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -15.298 -3.389 3.741 1.00 0.00 O ATOM 0 H GLU B 111 -10.939 -2.066 7.569 1.00 0.00 H new ATOM 0 HA GLU B 111 -13.373 -3.181 8.299 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -12.403 -2.125 6.058 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -12.141 -3.806 5.638 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -14.719 -3.910 6.558 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -14.674 -2.286 5.901 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.034 -5.388 7.590 1.00 0.00 N ATOM 1563 CA TYR B 112 -10.661 -6.785 7.733 1.00 0.00 C ATOM 1564 C TYR B 112 -10.566 -7.144 9.207 1.00 0.00 C ATOM 1565 O TYR B 112 -10.925 -8.249 9.612 1.00 0.00 O ATOM 1566 CB TYR B 112 -9.333 -7.068 7.030 1.00 0.00 C ATOM 1567 CG TYR B 112 -9.206 -8.488 6.522 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -10.000 -8.943 5.477 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -8.293 -9.368 7.087 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -9.887 -10.240 5.010 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -8.175 -10.666 6.626 1.00 0.00 C ATOM 1572 CZ TYR B 112 -8.973 -11.096 5.588 1.00 0.00 C ATOM 1573 OH TYR B 112 -8.858 -12.387 5.125 1.00 0.00 O ATOM 0 H TYR B 112 -10.291 -4.786 7.235 1.00 0.00 H new ATOM 0 HA TYR B 112 -11.429 -7.400 7.264 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.221 -6.380 6.192 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -8.515 -6.864 7.721 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -10.716 -8.274 5.023 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -7.665 -9.033 7.899 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -10.511 -10.581 4.197 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -7.461 -11.339 7.077 1.00 0.00 H new ATOM 0 HH TYR B 112 -8.169 -12.858 5.638 1.00 0.00 H new ATOM 1583 N ASP B 113 -10.101 -6.192 10.014 1.00 0.00 N ATOM 1584 CA ASP B 113 -9.991 -6.410 11.447 1.00 0.00 C ATOM 1585 C ASP B 113 -11.365 -6.727 12.026 1.00 0.00 C ATOM 1586 O ASP B 113 -11.484 -7.443 13.020 1.00 0.00 O ATOM 1587 CB ASP B 113 -9.400 -5.178 12.135 1.00 0.00 C ATOM 1588 CG ASP B 113 -7.889 -5.244 12.246 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -7.355 -6.362 12.408 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -7.241 -4.180 12.168 1.00 0.00 O ATOM 0 H ASP B 113 -9.798 -5.271 9.699 1.00 0.00 H new ATOM 0 HA ASP B 113 -9.324 -7.254 11.623 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -9.681 -4.285 11.578 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -9.830 -5.081 13.132 1.00 0.00 H new ATOM 1595 N ASN B 114 -12.401 -6.191 11.384 1.00 0.00 N ATOM 1596 CA ASN B 114 -13.773 -6.416 11.816 1.00 0.00 C ATOM 1597 C ASN B 114 -14.292 -7.754 11.297 1.00 0.00 C ATOM 1598 O ASN B 114 -15.048 -8.444 11.980 1.00 0.00 O ATOM 1599 CB ASN B 114 -14.676 -5.281 11.333 1.00 0.00 C ATOM 1600 CG ASN B 114 -15.944 -5.159 12.155 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -16.061 -4.280 13.009 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -16.901 -6.043 11.903 1.00 0.00 N ATOM 0 H ASN B 114 -12.313 -5.596 10.560 1.00 0.00 H new ATOM 0 HA ASN B 114 -13.786 -6.439 12.906 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -14.127 -4.340 11.376 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -14.939 -5.449 10.289 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -17.776 -6.010 12.426 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -16.762 -6.755 11.186 1.00 0.00 H new ATOM 1609 N ILE B 115 -13.885 -8.115 10.081 1.00 0.00 N ATOM 1610 CA ILE B 115 -14.313 -9.371 9.479 1.00 0.00 C ATOM 1611 C ILE B 115 -13.873 -10.560 10.328 1.00 0.00 C ATOM 1612 O ILE B 115 -14.607 -11.539 10.469 1.00 0.00 O ATOM 1613 CB ILE B 115 -13.757 -9.528 8.048 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -14.255 -8.389 7.157 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -14.157 -10.874 7.461 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -13.387 -8.150 5.940 1.00 0.00 C ATOM 0 H ILE B 115 -13.262 -7.556 9.498 1.00 0.00 H new ATOM 0 HA ILE B 115 -15.402 -9.349 9.430 1.00 0.00 H new ATOM 0 HB ILE B 115 -12.669 -9.484 8.095 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -15.271 -8.611 6.831 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -14.302 -7.473 7.745 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -13.755 -10.965 6.452 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -13.759 -11.675 8.084 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -15.244 -10.947 7.427 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -13.800 -7.329 5.354 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -12.376 -7.896 6.258 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -13.359 -9.053 5.330 1.00 0.00 H new