USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 758 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 TYR OH : rot 180:sc= -1.75! USER MOD Set 1.2: A 70 HIS : no HE2:sc= -5.96 K(o=-7.7,f=-18!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS :FLIP no HE2:sc= -0.304 F(o=-1.8,f=-0.3) USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00119) USER MOD Single : A 19 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= -1.4 (180deg=-1.43) USER MOD Single : A 25 TYR OH : rot 175:sc= -1.36 USER MOD Single : A 27 TYR OH : rot 30:sc= -0.0787 USER MOD Single : A 32 MET CE :methyl -177:sc= -3.35! (180deg=-3.35!) USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.852 F(o=-1.4,f=-0.85) USER MOD Single : A 35 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.059) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 37 MET CE :methyl -170:sc= -2.29! (180deg=-2.54!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0503 X(o=-0.05,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0.438 X(o=0.44,f=0) USER MOD Single : A 74 TYR OH : rot 37:sc= 0.141 USER MOD Single : A 76 GLN : amide:sc= -2.03 X(o=-2,f=-1.6) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -0.3 K(o=-0.3,f=-2.8!) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 ASN : amide:sc= -0.773 X(o=-0.77,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -16.784 3.546 1.591 1.00 0.00 N ATOM 33 CA ARG A 3 -17.040 2.144 1.894 1.00 0.00 C ATOM 34 C ARG A 3 -16.741 1.262 0.686 1.00 0.00 C ATOM 35 O ARG A 3 -16.343 0.107 0.831 1.00 0.00 O ATOM 36 CB ARG A 3 -18.493 1.953 2.333 1.00 0.00 C ATOM 37 CG ARG A 3 -18.750 2.352 3.779 1.00 0.00 C ATOM 38 CD ARG A 3 -19.755 3.490 3.875 1.00 0.00 C ATOM 39 NE ARG A 3 -19.107 4.775 4.129 1.00 0.00 N ATOM 40 CZ ARG A 3 -18.564 5.114 5.295 1.00 0.00 C ATOM 41 NH1 ARG A 3 -18.590 4.268 6.318 1.00 0.00 N ATOM 42 NH2 ARG A 3 -17.994 6.302 5.441 1.00 0.00 N ATOM 0 HA ARG A 3 -16.379 1.848 2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -19.141 2.540 1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.770 0.907 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -19.121 1.491 4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -17.812 2.653 4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -20.325 3.549 2.948 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.466 3.279 4.674 1.00 0.00 H new ATOM 0 HE ARG A 3 -19.069 5.452 3.367 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.028 3.353 6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -18.172 4.533 7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.972 6.957 4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.578 6.562 6.335 1.00 0.00 H new ATOM 56 N LYS A 4 -16.936 1.816 -0.507 1.00 0.00 N ATOM 57 CA LYS A 4 -16.690 1.081 -1.742 1.00 0.00 C ATOM 58 C LYS A 4 -15.197 0.871 -1.963 1.00 0.00 C ATOM 59 O LYS A 4 -14.783 -0.137 -2.532 1.00 0.00 O ATOM 60 CB LYS A 4 -17.300 1.819 -2.935 1.00 0.00 C ATOM 61 CG LYS A 4 -18.761 1.476 -3.177 1.00 0.00 C ATOM 62 CD LYS A 4 -19.290 2.152 -4.433 1.00 0.00 C ATOM 63 CE LYS A 4 -20.750 2.548 -4.279 1.00 0.00 C ATOM 64 NZ LYS A 4 -21.261 3.264 -5.480 1.00 0.00 N ATOM 0 H LYS A 4 -17.264 2.772 -0.644 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.165 0.104 -1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.209 2.893 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.726 1.582 -3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.872 0.396 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.356 1.785 -2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.693 3.037 -4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.182 1.478 -5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -21.352 1.656 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.863 3.185 -3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -22.259 3.517 -5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.704 4.129 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.177 2.648 -6.313 1.00 0.00 H new ATOM 78 N VAL A 5 -14.389 1.824 -1.506 1.00 0.00 N ATOM 79 CA VAL A 5 -12.942 1.723 -1.655 1.00 0.00 C ATOM 80 C VAL A 5 -12.448 0.386 -1.115 1.00 0.00 C ATOM 81 O VAL A 5 -11.516 -0.210 -1.655 1.00 0.00 O ATOM 82 CB VAL A 5 -12.215 2.868 -0.919 1.00 0.00 C ATOM 83 CG1 VAL A 5 -10.714 2.793 -1.161 1.00 0.00 C ATOM 84 CG2 VAL A 5 -12.765 4.217 -1.354 1.00 0.00 C ATOM 0 H VAL A 5 -14.710 2.669 -1.033 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.717 1.798 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.393 2.757 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.219 3.609 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.333 1.840 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.513 2.877 -2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.240 5.012 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.621 4.340 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.829 4.268 -1.123 1.00 0.00 H new ATOM 94 N ALA A 6 -13.097 -0.083 -0.054 1.00 0.00 N ATOM 95 CA ALA A 6 -12.745 -1.357 0.555 1.00 0.00 C ATOM 96 C ALA A 6 -13.191 -2.515 -0.329 1.00 0.00 C ATOM 97 O ALA A 6 -12.485 -3.513 -0.466 1.00 0.00 O ATOM 98 CB ALA A 6 -13.366 -1.473 1.938 1.00 0.00 C ATOM 0 H ALA A 6 -13.870 0.402 0.401 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.661 -1.402 0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.093 -2.431 2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.000 -0.664 2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.451 -1.407 1.856 1.00 0.00 H new ATOM 104 N ARG A 7 -14.370 -2.371 -0.929 1.00 0.00 N ATOM 105 CA ARG A 7 -14.911 -3.402 -1.805 1.00 0.00 C ATOM 106 C ARG A 7 -14.083 -3.526 -3.075 1.00 0.00 C ATOM 107 O ARG A 7 -13.845 -4.627 -3.567 1.00 0.00 O ATOM 108 CB ARG A 7 -16.368 -3.094 -2.156 1.00 0.00 C ATOM 109 CG ARG A 7 -17.134 -4.294 -2.687 1.00 0.00 C ATOM 110 CD ARG A 7 -17.351 -4.201 -4.189 1.00 0.00 C ATOM 111 NE ARG A 7 -18.659 -4.718 -4.587 1.00 0.00 N ATOM 112 CZ ARG A 7 -19.243 -4.437 -5.750 1.00 0.00 C ATOM 113 NH1 ARG A 7 -18.641 -3.648 -6.632 1.00 0.00 N ATOM 114 NH2 ARG A 7 -20.434 -4.949 -6.034 1.00 0.00 N ATOM 0 H ARG A 7 -14.967 -1.551 -0.824 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.869 -4.352 -1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.874 -2.715 -1.268 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.393 -2.299 -2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -16.587 -5.207 -2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -18.098 -4.363 -2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.261 -3.162 -4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -16.569 -4.759 -4.703 1.00 0.00 H new ATOM 0 HE ARG A 7 -19.153 -5.329 -3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -17.725 -3.253 -6.421 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -19.095 -3.437 -7.521 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.901 -5.557 -5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.882 -4.734 -6.925 1.00 0.00 H new ATOM 128 N GLU A 8 -13.641 -2.391 -3.600 1.00 0.00 N ATOM 129 CA GLU A 8 -12.833 -2.381 -4.812 1.00 0.00 C ATOM 130 C GLU A 8 -11.439 -2.926 -4.524 1.00 0.00 C ATOM 131 O GLU A 8 -10.945 -3.801 -5.234 1.00 0.00 O ATOM 132 CB GLU A 8 -12.739 -0.966 -5.384 1.00 0.00 C ATOM 133 CG GLU A 8 -13.972 -0.542 -6.166 1.00 0.00 C ATOM 134 CD GLU A 8 -13.678 -0.298 -7.632 1.00 0.00 C ATOM 135 OE1 GLU A 8 -12.866 -1.050 -8.209 1.00 0.00 O ATOM 136 OE2 GLU A 8 -14.263 0.646 -8.205 1.00 0.00 O ATOM 0 H GLU A 8 -13.828 -1.468 -3.207 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.314 -3.022 -5.551 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.578 -0.263 -4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.867 -0.904 -6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.737 -1.313 -6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.382 0.367 -5.726 1.00 0.00 H new ATOM 143 N PHE A 9 -10.818 -2.412 -3.468 1.00 0.00 N ATOM 144 CA PHE A 9 -9.489 -2.862 -3.080 1.00 0.00 C ATOM 145 C PHE A 9 -9.523 -4.340 -2.716 1.00 0.00 C ATOM 146 O PHE A 9 -8.615 -5.097 -3.056 1.00 0.00 O ATOM 147 CB PHE A 9 -8.975 -2.042 -1.895 1.00 0.00 C ATOM 148 CG PHE A 9 -7.573 -2.394 -1.483 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.493 -2.038 -2.278 1.00 0.00 C ATOM 150 CD2 PHE A 9 -7.335 -3.078 -0.303 1.00 0.00 C ATOM 151 CE1 PHE A 9 -5.204 -2.360 -1.900 1.00 0.00 C ATOM 152 CE2 PHE A 9 -6.047 -3.403 0.080 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.980 -3.043 -0.720 1.00 0.00 C ATOM 0 H PHE A 9 -11.212 -1.687 -2.869 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.813 -2.720 -3.923 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.014 -0.983 -2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.642 -2.189 -1.046 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.662 -1.504 -3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.166 -3.361 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.371 -2.078 -2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.875 -3.937 1.003 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.972 -3.295 -0.424 1.00 0.00 H new ATOM 163 N ARG A 10 -10.589 -4.744 -2.031 1.00 0.00 N ATOM 164 CA ARG A 10 -10.757 -6.132 -1.627 1.00 0.00 C ATOM 165 C ARG A 10 -11.036 -7.015 -2.838 1.00 0.00 C ATOM 166 O ARG A 10 -10.391 -8.046 -3.028 1.00 0.00 O ATOM 167 CB ARG A 10 -11.900 -6.257 -0.617 1.00 0.00 C ATOM 168 CG ARG A 10 -12.013 -7.640 0.007 1.00 0.00 C ATOM 169 CD ARG A 10 -13.028 -8.502 -0.727 1.00 0.00 C ATOM 170 NE ARG A 10 -14.107 -8.943 0.153 1.00 0.00 N ATOM 171 CZ ARG A 10 -13.945 -9.814 1.148 1.00 0.00 C ATOM 172 NH1 ARG A 10 -12.750 -10.341 1.390 1.00 0.00 N ATOM 173 NH2 ARG A 10 -14.980 -10.161 1.900 1.00 0.00 N ATOM 0 H ARG A 10 -11.349 -4.127 -1.745 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.831 -6.465 -1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.757 -5.521 0.174 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.840 -6.013 -1.112 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.039 -8.129 -0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.303 -7.545 1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.447 -7.939 -1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.526 -9.372 -1.150 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.040 -8.561 -0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.951 -10.079 0.813 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.632 -11.007 2.153 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.900 -9.761 1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.856 -10.828 2.662 1.00 0.00 H new ATOM 187 N HIS A 11 -11.997 -6.602 -3.661 1.00 0.00 N ATOM 188 CA HIS A 11 -12.349 -7.359 -4.856 1.00 0.00 C ATOM 189 C HIS A 11 -11.146 -7.486 -5.783 1.00 0.00 C ATOM 190 O HIS A 11 -10.901 -8.546 -6.356 1.00 0.00 O ATOM 191 CB HIS A 11 -13.515 -6.696 -5.591 1.00 0.00 C ATOM 192 CG HIS A 11 -14.254 -7.619 -6.508 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.853 -8.745 -7.143 1.00 0.00 N flip ATOM 194 CD2 HIS A 11 -15.573 -7.432 -6.863 1.00 0.00 C flip ATOM 195 CE1 HIS A 11 -14.926 -9.212 -7.862 1.00 0.00 C flip ATOM 196 NE2 HIS A 11 -15.952 -8.402 -7.677 1.00 0.00 N flip ATOM 0 H HIS A 11 -12.543 -5.751 -3.522 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.657 -8.358 -4.547 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.213 -6.293 -4.857 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.136 -5.852 -6.168 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -12.926 -9.168 -7.096 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -16.200 -6.619 -6.528 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.930 -10.098 -8.479 1.00 0.00 H new ATOM 205 N LYS A 12 -10.390 -6.403 -5.915 1.00 0.00 N ATOM 206 CA LYS A 12 -9.205 -6.406 -6.763 1.00 0.00 C ATOM 207 C LYS A 12 -8.220 -7.464 -6.283 1.00 0.00 C ATOM 208 O LYS A 12 -7.691 -8.245 -7.076 1.00 0.00 O ATOM 209 CB LYS A 12 -8.540 -5.028 -6.755 1.00 0.00 C ATOM 210 CG LYS A 12 -9.075 -4.088 -7.821 1.00 0.00 C ATOM 211 CD LYS A 12 -8.457 -4.378 -9.180 1.00 0.00 C ATOM 212 CE LYS A 12 -9.398 -5.189 -10.057 1.00 0.00 C ATOM 213 NZ LYS A 12 -8.668 -6.210 -10.859 1.00 0.00 N ATOM 0 H LYS A 12 -10.575 -5.515 -5.448 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.508 -6.641 -7.783 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.682 -4.571 -5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.466 -5.151 -6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.159 -4.187 -7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.865 -3.057 -7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.212 -3.440 -9.677 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.522 -4.922 -9.047 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.142 -5.683 -9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.938 -4.519 -10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.347 -6.753 -11.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.987 -5.737 -11.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.160 -6.855 -10.220 1.00 0.00 H new ATOM 227 N VAL A 13 -7.986 -7.492 -4.973 1.00 0.00 N ATOM 228 CA VAL A 13 -7.071 -8.460 -4.381 1.00 0.00 C ATOM 229 C VAL A 13 -7.441 -9.880 -4.786 1.00 0.00 C ATOM 230 O VAL A 13 -6.599 -10.641 -5.261 1.00 0.00 O ATOM 231 CB VAL A 13 -7.059 -8.355 -2.841 1.00 0.00 C ATOM 232 CG1 VAL A 13 -6.076 -9.350 -2.240 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.726 -6.937 -2.402 1.00 0.00 C ATOM 0 H VAL A 13 -8.418 -6.855 -4.303 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.074 -8.228 -4.757 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.056 -8.600 -2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.084 -9.259 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.366 -10.363 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.074 -9.142 -2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.723 -6.884 -1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.742 -6.660 -2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.474 -6.249 -2.796 1.00 0.00 H new ATOM 243 N ASP A 14 -8.707 -10.233 -4.602 1.00 0.00 N ATOM 244 CA ASP A 14 -9.176 -11.565 -4.957 1.00 0.00 C ATOM 245 C ASP A 14 -9.280 -11.726 -6.473 1.00 0.00 C ATOM 246 O ASP A 14 -9.350 -12.845 -6.979 1.00 0.00 O ATOM 247 CB ASP A 14 -10.526 -11.863 -4.296 1.00 0.00 C ATOM 248 CG ASP A 14 -11.641 -10.967 -4.796 1.00 0.00 C ATOM 249 OD1 ASP A 14 -11.784 -10.824 -6.028 1.00 0.00 O ATOM 250 OD2 ASP A 14 -12.376 -10.411 -3.953 1.00 0.00 O ATOM 0 H ASP A 14 -9.423 -9.620 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.444 -12.283 -4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.793 -12.903 -4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.430 -11.746 -3.217 1.00 0.00 H new ATOM 255 N PHE A 15 -9.280 -10.606 -7.196 1.00 0.00 N ATOM 256 CA PHE A 15 -9.360 -10.641 -8.649 1.00 0.00 C ATOM 257 C PHE A 15 -8.069 -11.195 -9.230 1.00 0.00 C ATOM 258 O PHE A 15 -8.075 -11.915 -10.229 1.00 0.00 O ATOM 259 CB PHE A 15 -9.636 -9.242 -9.203 1.00 0.00 C ATOM 260 CG PHE A 15 -10.830 -9.179 -10.112 1.00 0.00 C ATOM 261 CD1 PHE A 15 -10.788 -9.752 -11.373 1.00 0.00 C ATOM 262 CD2 PHE A 15 -11.996 -8.550 -9.704 1.00 0.00 C ATOM 263 CE1 PHE A 15 -11.887 -9.696 -12.211 1.00 0.00 C ATOM 264 CE2 PHE A 15 -13.096 -8.492 -10.537 1.00 0.00 C ATOM 265 CZ PHE A 15 -13.042 -9.067 -11.792 1.00 0.00 C ATOM 0 H PHE A 15 -9.226 -9.669 -6.797 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.183 -11.294 -8.938 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.787 -8.554 -8.371 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.757 -8.896 -9.747 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.888 -10.248 -11.705 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -12.045 -8.100 -8.723 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.841 -10.144 -13.193 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -13.998 -7.997 -10.208 1.00 0.00 H new ATOM 0 HZ PHE A 15 -13.902 -9.024 -12.444 1.00 0.00 H new ATOM 275 N LEU A 16 -6.962 -10.842 -8.592 1.00 0.00 N ATOM 276 CA LEU A 16 -5.645 -11.286 -9.026 1.00 0.00 C ATOM 277 C LEU A 16 -5.231 -12.556 -8.293 1.00 0.00 C ATOM 278 O LEU A 16 -4.837 -13.545 -8.909 1.00 0.00 O ATOM 279 CB LEU A 16 -4.607 -10.184 -8.787 1.00 0.00 C ATOM 280 CG LEU A 16 -5.159 -8.752 -8.766 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.397 -7.904 -7.760 1.00 0.00 C ATOM 282 CD2 LEU A 16 -5.079 -8.132 -10.152 1.00 0.00 C ATOM 0 H LEU A 16 -6.951 -10.245 -7.765 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.696 -11.503 -10.093 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.109 -10.377 -7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.846 -10.250 -9.565 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.206 -8.789 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.801 -6.892 -7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.500 -8.338 -6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.343 -7.873 -8.035 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.474 -7.117 -10.120 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.040 -8.107 -10.480 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.666 -8.728 -10.851 1.00 0.00 H new ATOM 294 N ILE A 17 -5.330 -12.514 -6.971 1.00 0.00 N ATOM 295 CA ILE A 17 -4.974 -13.653 -6.135 1.00 0.00 C ATOM 296 C ILE A 17 -5.919 -14.818 -6.376 1.00 0.00 C ATOM 297 O ILE A 17 -5.486 -15.937 -6.653 1.00 0.00 O ATOM 298 CB ILE A 17 -4.976 -13.264 -4.635 1.00 0.00 C ATOM 299 CG1 ILE A 17 -3.757 -12.407 -4.321 1.00 0.00 C ATOM 300 CG2 ILE A 17 -4.984 -14.490 -3.731 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.961 -10.929 -4.579 1.00 0.00 C ATOM 0 H ILE A 17 -5.656 -11.699 -6.452 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.965 -13.962 -6.409 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.888 -12.699 -4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.486 -12.549 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.916 -12.757 -4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.985 -14.173 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.876 -15.084 -3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.096 -15.092 -3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.048 -10.387 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.202 -10.773 -5.631 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.780 -10.561 -3.961 1.00 0.00 H new ATOM 313 N GLU A 18 -7.211 -14.549 -6.267 1.00 0.00 N ATOM 314 CA GLU A 18 -8.227 -15.565 -6.467 1.00 0.00 C ATOM 315 C GLU A 18 -8.025 -16.757 -5.541 1.00 0.00 C ATOM 316 O GLU A 18 -8.748 -17.750 -5.610 1.00 0.00 O ATOM 317 CB GLU A 18 -8.234 -16.011 -7.918 1.00 0.00 C ATOM 318 CG GLU A 18 -8.036 -14.876 -8.909 1.00 0.00 C ATOM 319 CD GLU A 18 -9.128 -14.823 -9.961 1.00 0.00 C ATOM 320 OE1 GLU A 18 -9.334 -15.840 -10.655 1.00 0.00 O ATOM 321 OE2 GLU A 18 -9.774 -13.762 -10.091 1.00 0.00 O ATOM 0 H GLU A 18 -7.581 -13.626 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.194 -15.126 -6.222 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.447 -16.751 -8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.181 -16.506 -8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.009 -13.929 -8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.069 -14.991 -9.399 1.00 0.00 H new ATOM 328 N ASN A 19 -7.039 -16.637 -4.678 1.00 0.00 N ATOM 329 CA ASN A 19 -6.714 -17.685 -3.719 1.00 0.00 C ATOM 330 C ASN A 19 -7.137 -17.276 -2.311 1.00 0.00 C ATOM 331 O ASN A 19 -7.906 -16.331 -2.134 1.00 0.00 O ATOM 332 CB ASN A 19 -5.214 -17.989 -3.753 1.00 0.00 C ATOM 333 CG ASN A 19 -4.928 -19.475 -3.851 1.00 0.00 C ATOM 334 OD1 ASN A 19 -5.666 -20.219 -4.496 1.00 0.00 O ATOM 335 ND2 ASN A 19 -3.853 -19.914 -3.206 1.00 0.00 N ATOM 0 H ASN A 19 -6.438 -15.815 -4.617 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.262 -18.586 -3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.762 -17.478 -4.603 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.745 -17.590 -2.854 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.611 -20.904 -3.233 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.270 -19.261 -2.683 1.00 0.00 H new ATOM 342 N ASP A 20 -6.632 -17.993 -1.312 1.00 0.00 N ATOM 343 CA ASP A 20 -6.960 -17.700 0.077 1.00 0.00 C ATOM 344 C ASP A 20 -5.698 -17.458 0.896 1.00 0.00 C ATOM 345 O ASP A 20 -5.582 -16.450 1.592 1.00 0.00 O ATOM 346 CB ASP A 20 -7.764 -18.851 0.687 1.00 0.00 C ATOM 347 CG ASP A 20 -8.831 -18.365 1.647 1.00 0.00 C ATOM 348 OD1 ASP A 20 -8.610 -17.325 2.303 1.00 0.00 O ATOM 349 OD2 ASP A 20 -9.886 -19.025 1.748 1.00 0.00 O ATOM 0 H ASP A 20 -5.995 -18.780 -1.439 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.563 -16.792 0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.232 -19.427 -0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.087 -19.526 1.211 1.00 0.00 H new ATOM 354 N ALA A 21 -4.751 -18.387 0.809 1.00 0.00 N ATOM 355 CA ALA A 21 -3.497 -18.270 1.543 1.00 0.00 C ATOM 356 C ALA A 21 -2.757 -16.996 1.160 1.00 0.00 C ATOM 357 O ALA A 21 -2.123 -16.357 1.999 1.00 0.00 O ATOM 358 CB ALA A 21 -2.622 -19.488 1.295 1.00 0.00 C ATOM 0 H ALA A 21 -4.829 -19.228 0.238 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.730 -18.218 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.690 -19.385 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.145 -20.385 1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.403 -19.568 0.230 1.00 0.00 H new ATOM 364 N GLU A 22 -2.844 -16.628 -0.114 1.00 0.00 N ATOM 365 CA GLU A 22 -2.184 -15.427 -0.609 1.00 0.00 C ATOM 366 C GLU A 22 -2.850 -14.176 -0.046 1.00 0.00 C ATOM 367 O GLU A 22 -2.176 -13.267 0.434 1.00 0.00 O ATOM 368 CB GLU A 22 -2.211 -15.396 -2.137 1.00 0.00 C ATOM 369 CG GLU A 22 -1.029 -16.105 -2.781 1.00 0.00 C ATOM 370 CD GLU A 22 -1.105 -16.107 -4.294 1.00 0.00 C ATOM 371 OE1 GLU A 22 -2.227 -16.018 -4.834 1.00 0.00 O ATOM 372 OE2 GLU A 22 -0.039 -16.196 -4.941 1.00 0.00 O ATOM 0 H GLU A 22 -3.365 -17.145 -0.822 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.146 -15.446 -0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.135 -15.858 -2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.228 -14.359 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.104 -15.620 -2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.987 -17.133 -2.422 1.00 0.00 H new ATOM 379 N LYS A 23 -4.179 -14.140 -0.097 1.00 0.00 N ATOM 380 CA LYS A 23 -4.927 -13.003 0.421 1.00 0.00 C ATOM 381 C LYS A 23 -4.725 -12.880 1.921 1.00 0.00 C ATOM 382 O LYS A 23 -4.685 -11.777 2.462 1.00 0.00 O ATOM 383 CB LYS A 23 -6.415 -13.147 0.098 1.00 0.00 C ATOM 384 CG LYS A 23 -7.146 -11.819 -0.018 1.00 0.00 C ATOM 385 CD LYS A 23 -8.627 -11.968 0.293 1.00 0.00 C ATOM 386 CE LYS A 23 -9.335 -12.802 -0.762 1.00 0.00 C ATOM 387 NZ LYS A 23 -10.734 -12.345 -0.984 1.00 0.00 N ATOM 0 H LYS A 23 -4.756 -14.883 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.555 -12.098 -0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.523 -13.694 -0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.890 -13.747 0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.701 -11.097 0.666 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.023 -11.422 -1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.750 -12.435 1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.089 -10.982 0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.782 -12.747 -1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.339 -13.848 -0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.149 -12.871 -1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.295 -12.516 -0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.737 -11.328 -1.202 1.00 0.00 H new ATOM 401 N ASP A 24 -4.575 -14.020 2.586 1.00 0.00 N ATOM 402 CA ASP A 24 -4.354 -14.030 4.023 1.00 0.00 C ATOM 403 C ASP A 24 -3.048 -13.318 4.347 1.00 0.00 C ATOM 404 O ASP A 24 -2.996 -12.460 5.230 1.00 0.00 O ATOM 405 CB ASP A 24 -4.317 -15.465 4.549 1.00 0.00 C ATOM 406 CG ASP A 24 -4.324 -15.527 6.064 1.00 0.00 C ATOM 407 OD1 ASP A 24 -4.853 -14.587 6.694 1.00 0.00 O ATOM 408 OD2 ASP A 24 -3.800 -16.515 6.621 1.00 0.00 O ATOM 0 H ASP A 24 -4.603 -14.943 2.154 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.177 -13.507 4.509 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.176 -16.013 4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.424 -15.964 4.172 1.00 0.00 H new ATOM 413 N TYR A 25 -1.995 -13.675 3.617 1.00 0.00 N ATOM 414 CA TYR A 25 -0.689 -13.064 3.814 1.00 0.00 C ATOM 415 C TYR A 25 -0.709 -11.600 3.408 1.00 0.00 C ATOM 416 O TYR A 25 -0.253 -10.741 4.161 1.00 0.00 O ATOM 417 CB TYR A 25 0.386 -13.820 3.031 1.00 0.00 C ATOM 418 CG TYR A 25 1.782 -13.275 3.232 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.383 -13.298 4.485 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.500 -12.739 2.169 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.658 -12.801 4.673 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.776 -12.240 2.350 1.00 0.00 C ATOM 423 CZ TYR A 25 4.350 -12.274 3.603 1.00 0.00 C ATOM 424 OH TYR A 25 5.621 -11.779 3.787 1.00 0.00 O ATOM 0 H TYR A 25 -2.023 -14.384 2.885 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.448 -13.121 4.875 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.369 -14.869 3.328 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.141 -13.785 1.969 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.844 -13.711 5.325 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.053 -12.712 1.186 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.111 -12.825 5.653 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.321 -11.826 1.514 1.00 0.00 H new ATOM 0 HH TYR A 25 5.999 -11.519 2.921 1.00 0.00 H new ATOM 434 N LEU A 26 -1.256 -11.307 2.230 1.00 0.00 N ATOM 435 CA LEU A 26 -1.337 -9.926 1.778 1.00 0.00 C ATOM 436 C LEU A 26 -2.100 -9.127 2.813 1.00 0.00 C ATOM 437 O LEU A 26 -1.698 -8.025 3.187 1.00 0.00 O ATOM 438 CB LEU A 26 -2.017 -9.826 0.410 1.00 0.00 C ATOM 439 CG LEU A 26 -1.537 -8.666 -0.466 1.00 0.00 C ATOM 440 CD1 LEU A 26 -1.932 -8.893 -1.918 1.00 0.00 C ATOM 441 CD2 LEU A 26 -2.097 -7.343 0.039 1.00 0.00 C ATOM 0 H LEU A 26 -1.642 -11.995 1.584 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.330 -9.525 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.856 -10.760 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.092 -9.727 0.561 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.449 -8.622 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.582 -8.058 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.480 -9.817 -2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.017 -8.966 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.744 -6.532 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.186 -7.376 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.762 -7.173 1.062 1.00 0.00 H new ATOM 453 N TYR A 27 -3.179 -9.716 3.314 1.00 0.00 N ATOM 454 CA TYR A 27 -3.959 -9.074 4.355 1.00 0.00 C ATOM 455 C TYR A 27 -3.065 -8.868 5.573 1.00 0.00 C ATOM 456 O TYR A 27 -3.183 -7.870 6.284 1.00 0.00 O ATOM 457 CB TYR A 27 -5.178 -9.920 4.729 1.00 0.00 C ATOM 458 CG TYR A 27 -6.456 -9.466 4.062 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.813 -8.122 4.045 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.309 -10.377 3.451 1.00 0.00 C ATOM 461 CE1 TYR A 27 -7.979 -7.701 3.437 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.477 -9.963 2.840 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.809 -8.625 2.838 1.00 0.00 C ATOM 464 OH TYR A 27 -9.972 -8.209 2.231 1.00 0.00 O ATOM 0 H TYR A 27 -3.528 -10.627 3.018 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.324 -8.114 3.992 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.986 -10.958 4.459 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.312 -9.891 5.810 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.167 -7.395 4.515 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.055 -11.427 3.454 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.240 -6.653 3.431 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.127 -10.684 2.366 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.854 -7.299 1.887 1.00 0.00 H new ATOM 474 N ASP A 28 -2.149 -9.818 5.789 1.00 0.00 N ATOM 475 CA ASP A 28 -1.215 -9.734 6.900 1.00 0.00 C ATOM 476 C ASP A 28 -0.164 -8.661 6.632 1.00 0.00 C ATOM 477 O ASP A 28 0.317 -8.009 7.558 1.00 0.00 O ATOM 478 CB ASP A 28 -0.536 -11.086 7.129 1.00 0.00 C ATOM 479 CG ASP A 28 -1.273 -11.938 8.146 1.00 0.00 C ATOM 480 OD1 ASP A 28 -2.510 -11.804 8.248 1.00 0.00 O ATOM 481 OD2 ASP A 28 -0.611 -12.737 8.840 1.00 0.00 O ATOM 0 H ASP A 28 -2.040 -10.649 5.207 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.772 -9.464 7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.476 -11.624 6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.487 -10.923 7.468 1.00 0.00 H new ATOM 486 N VAL A 29 0.186 -8.475 5.357 1.00 0.00 N ATOM 487 CA VAL A 29 1.179 -7.473 4.984 1.00 0.00 C ATOM 488 C VAL A 29 0.680 -6.071 5.313 1.00 0.00 C ATOM 489 O VAL A 29 1.348 -5.314 6.017 1.00 0.00 O ATOM 490 CB VAL A 29 1.527 -7.552 3.485 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.573 -6.509 3.118 1.00 0.00 C ATOM 492 CG2 VAL A 29 2.013 -8.946 3.121 1.00 0.00 C ATOM 0 H VAL A 29 -0.201 -9.002 4.574 1.00 0.00 H new ATOM 0 HA VAL A 29 2.080 -7.682 5.561 1.00 0.00 H new ATOM 0 HB VAL A 29 0.622 -7.343 2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.803 -6.583 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.187 -5.514 3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.479 -6.682 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.254 -8.982 2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.903 -9.184 3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.231 -9.673 3.340 1.00 0.00 H new ATOM 502 N LEU A 30 -0.501 -5.734 4.806 1.00 0.00 N ATOM 503 CA LEU A 30 -1.089 -4.425 5.055 1.00 0.00 C ATOM 504 C LEU A 30 -1.396 -4.253 6.538 1.00 0.00 C ATOM 505 O LEU A 30 -1.310 -3.151 7.079 1.00 0.00 O ATOM 506 CB LEU A 30 -2.367 -4.249 4.230 1.00 0.00 C ATOM 507 CG LEU A 30 -2.207 -4.495 2.729 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.542 -4.868 2.103 1.00 0.00 C ATOM 509 CD2 LEU A 30 -1.622 -3.267 2.048 1.00 0.00 C ATOM 0 H LEU A 30 -1.068 -6.348 4.222 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.370 -3.662 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.127 -4.929 4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.741 -3.236 4.379 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.518 -5.328 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.408 -5.039 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.922 -5.776 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.254 -4.057 2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.515 -3.459 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.287 -2.416 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.645 -3.044 2.476 1.00 0.00 H new ATOM 521 N ARG A 31 -1.748 -5.357 7.192 1.00 0.00 N ATOM 522 CA ARG A 31 -2.062 -5.336 8.615 1.00 0.00 C ATOM 523 C ARG A 31 -0.805 -5.084 9.440 1.00 0.00 C ATOM 524 O ARG A 31 -0.839 -4.362 10.437 1.00 0.00 O ATOM 525 CB ARG A 31 -2.708 -6.657 9.036 1.00 0.00 C ATOM 526 CG ARG A 31 -4.223 -6.661 8.910 1.00 0.00 C ATOM 527 CD ARG A 31 -4.892 -7.146 10.186 1.00 0.00 C ATOM 528 NE ARG A 31 -4.285 -8.376 10.689 1.00 0.00 N ATOM 529 CZ ARG A 31 -4.422 -8.814 11.938 1.00 0.00 C ATOM 530 NH1 ARG A 31 -5.144 -8.126 12.815 1.00 0.00 N ATOM 531 NH2 ARG A 31 -3.836 -9.943 12.313 1.00 0.00 N ATOM 0 H ARG A 31 -1.823 -6.277 6.758 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.766 -4.524 8.797 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.299 -7.462 8.426 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.437 -6.871 10.070 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.571 -5.655 8.676 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.517 -7.302 8.079 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.824 -6.370 10.948 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.952 -7.316 9.998 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.723 -8.932 10.045 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.597 -7.257 12.533 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.245 -8.467 13.771 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.280 -10.476 11.644 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.941 -10.279 13.270 1.00 0.00 H new ATOM 545 N MET A 32 0.307 -5.676 9.013 1.00 0.00 N ATOM 546 CA MET A 32 1.575 -5.509 9.704 1.00 0.00 C ATOM 547 C MET A 32 2.159 -4.137 9.384 1.00 0.00 C ATOM 548 O MET A 32 2.749 -3.482 10.244 1.00 0.00 O ATOM 549 CB MET A 32 2.535 -6.648 9.305 1.00 0.00 C ATOM 550 CG MET A 32 3.984 -6.234 9.078 1.00 0.00 C ATOM 551 SD MET A 32 5.022 -6.498 10.529 1.00 0.00 S ATOM 552 CE MET A 32 4.099 -5.608 11.778 1.00 0.00 C ATOM 0 H MET A 32 0.352 -6.276 8.190 1.00 0.00 H new ATOM 0 HA MET A 32 1.423 -5.562 10.782 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.511 -7.410 10.084 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.161 -7.113 8.393 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.391 -6.798 8.239 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.017 -5.180 8.800 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.644 -5.635 12.722 1.00 0.00 H new ATOM 0 HE2 MET A 32 3.968 -4.572 11.464 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.122 -6.074 11.910 1.00 0.00 H new ATOM 562 N TYR A 33 1.982 -3.705 8.140 1.00 0.00 N ATOM 563 CA TYR A 33 2.479 -2.409 7.702 1.00 0.00 C ATOM 564 C TYR A 33 1.782 -1.285 8.460 1.00 0.00 C ATOM 565 O TYR A 33 2.371 -0.239 8.718 1.00 0.00 O ATOM 566 CB TYR A 33 2.263 -2.244 6.192 1.00 0.00 C ATOM 567 CG TYR A 33 2.538 -0.845 5.682 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.673 -0.149 6.080 1.00 0.00 C ATOM 569 CD2 TYR A 33 1.659 -0.223 4.805 1.00 0.00 C ATOM 570 CE1 TYR A 33 3.922 1.130 5.617 1.00 0.00 C ATOM 571 CE2 TYR A 33 1.903 1.054 4.337 1.00 0.00 C ATOM 572 CZ TYR A 33 3.036 1.726 4.746 1.00 0.00 C ATOM 573 OH TYR A 33 3.280 2.998 4.283 1.00 0.00 O ATOM 0 H TYR A 33 1.497 -4.236 7.417 1.00 0.00 H new ATOM 0 HA TYR A 33 3.547 -2.357 7.913 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.908 -2.946 5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.235 -2.513 5.951 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.371 -0.614 6.761 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.770 -0.746 4.484 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.807 1.660 5.937 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.210 1.524 3.654 1.00 0.00 H new ATOM 0 HH TYR A 33 2.559 3.270 3.677 1.00 0.00 H new ATOM 583 N HIS A 34 0.521 -1.510 8.813 1.00 0.00 N ATOM 584 CA HIS A 34 -0.256 -0.515 9.543 1.00 0.00 C ATOM 585 C HIS A 34 0.344 -0.259 10.922 1.00 0.00 C ATOM 586 O HIS A 34 0.389 0.879 11.389 1.00 0.00 O ATOM 587 CB HIS A 34 -1.707 -0.978 9.685 1.00 0.00 C ATOM 588 CG HIS A 34 -2.615 0.067 10.256 1.00 0.00 C ATOM 589 ND1 HIS A 34 -3.447 0.944 9.647 1.00 0.00 N flip ATOM 590 CD2 HIS A 34 -2.740 0.299 11.610 1.00 0.00 C flip ATOM 591 CE1 HIS A 34 -4.053 1.682 10.634 1.00 0.00 C flip ATOM 592 NE2 HIS A 34 -3.610 1.273 11.809 1.00 0.00 N flip ATOM 0 H HIS A 34 0.016 -2.371 8.606 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.230 0.416 8.977 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.082 -1.278 8.706 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.737 -1.862 10.322 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.210 -0.233 12.386 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.775 2.469 10.475 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.892 1.646 12.716 1.00 0.00 H new ATOM 601 N GLN A 35 0.800 -1.326 11.569 1.00 0.00 N ATOM 602 CA GLN A 35 1.393 -1.219 12.896 1.00 0.00 C ATOM 603 C GLN A 35 2.828 -0.706 12.823 1.00 0.00 C ATOM 604 O GLN A 35 3.151 0.353 13.363 1.00 0.00 O ATOM 605 CB GLN A 35 1.359 -2.579 13.599 1.00 0.00 C ATOM 606 CG GLN A 35 0.287 -2.684 14.671 1.00 0.00 C ATOM 607 CD GLN A 35 0.790 -2.274 16.040 1.00 0.00 C ATOM 608 OE1 GLN A 35 0.199 -1.421 16.701 1.00 0.00 O ATOM 609 NE2 GLN A 35 1.888 -2.884 16.475 1.00 0.00 N ATOM 0 H GLN A 35 0.770 -2.275 11.196 1.00 0.00 H new ATOM 0 HA GLN A 35 0.806 -0.501 13.469 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.195 -3.359 12.855 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.333 -2.769 14.051 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.560 -2.055 14.396 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.079 -3.710 14.715 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.346 -3.586 15.893 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.273 -2.650 17.390 1.00 0.00 H new ATOM 618 N THR A 36 3.683 -1.471 12.162 1.00 0.00 N ATOM 619 CA THR A 36 5.091 -1.112 12.022 1.00 0.00 C ATOM 620 C THR A 36 5.267 0.152 11.183 1.00 0.00 C ATOM 621 O THR A 36 6.235 0.891 11.361 1.00 0.00 O ATOM 622 CB THR A 36 5.868 -2.266 11.387 1.00 0.00 C ATOM 623 OG1 THR A 36 7.245 -1.947 11.281 1.00 0.00 O ATOM 624 CG2 THR A 36 5.375 -2.632 10.004 1.00 0.00 C ATOM 0 H THR A 36 3.427 -2.349 11.711 1.00 0.00 H new ATOM 0 HA THR A 36 5.483 -0.913 13.020 1.00 0.00 H new ATOM 0 HB THR A 36 5.709 -3.117 12.049 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.724 -2.698 10.874 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.970 -3.457 9.612 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.329 -2.933 10.058 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.471 -1.770 9.344 1.00 0.00 H new ATOM 632 N MET A 37 4.335 0.393 10.267 1.00 0.00 N ATOM 633 CA MET A 37 4.403 1.566 9.402 1.00 0.00 C ATOM 634 C MET A 37 5.664 1.528 8.546 1.00 0.00 C ATOM 635 O MET A 37 6.235 2.568 8.215 1.00 0.00 O ATOM 636 CB MET A 37 4.373 2.847 10.238 1.00 0.00 C ATOM 637 CG MET A 37 2.968 3.320 10.575 1.00 0.00 C ATOM 638 SD MET A 37 2.078 3.941 9.135 1.00 0.00 S ATOM 639 CE MET A 37 0.737 2.758 9.026 1.00 0.00 C ATOM 0 H MET A 37 3.526 -0.206 10.104 1.00 0.00 H new ATOM 0 HA MET A 37 3.535 1.556 8.743 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.923 2.680 11.164 1.00 0.00 H new ATOM 0 HB3 MET A 37 4.893 3.637 9.696 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.407 2.495 11.016 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.025 4.106 11.329 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.203 2.899 8.087 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.140 1.746 9.066 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.051 2.908 9.860 1.00 0.00 H new ATOM 649 N ASP A 38 6.094 0.320 8.190 1.00 0.00 N ATOM 650 CA ASP A 38 7.289 0.138 7.373 1.00 0.00 C ATOM 651 C ASP A 38 6.916 -0.170 5.927 1.00 0.00 C ATOM 652 O ASP A 38 6.381 -1.237 5.627 1.00 0.00 O ATOM 653 CB ASP A 38 8.152 -0.988 7.941 1.00 0.00 C ATOM 654 CG ASP A 38 9.632 -0.758 7.705 1.00 0.00 C ATOM 655 OD1 ASP A 38 10.073 -0.876 6.543 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.350 -0.461 8.684 1.00 0.00 O ATOM 0 H ASP A 38 5.631 -0.549 8.456 1.00 0.00 H new ATOM 0 HA ASP A 38 7.859 1.067 7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.967 -1.079 9.011 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.857 -1.933 7.485 1.00 0.00 H new ATOM 661 N VAL A 39 7.206 0.770 5.036 1.00 0.00 N ATOM 662 CA VAL A 39 6.905 0.601 3.620 1.00 0.00 C ATOM 663 C VAL A 39 7.870 -0.381 2.964 1.00 0.00 C ATOM 664 O VAL A 39 7.543 -1.007 1.956 1.00 0.00 O ATOM 665 CB VAL A 39 6.967 1.945 2.867 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.529 1.772 1.421 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.112 2.990 3.568 1.00 0.00 C ATOM 0 H VAL A 39 7.650 1.658 5.269 1.00 0.00 H new ATOM 0 HA VAL A 39 5.891 0.205 3.559 1.00 0.00 H new ATOM 0 HB VAL A 39 8.000 2.292 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.580 2.732 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.187 1.060 0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.505 1.400 1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.168 3.932 3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.077 2.651 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.478 3.137 4.584 1.00 0.00 H new ATOM 677 N ALA A 40 9.057 -0.520 3.545 1.00 0.00 N ATOM 678 CA ALA A 40 10.060 -1.430 3.015 1.00 0.00 C ATOM 679 C ALA A 40 9.669 -2.874 3.286 1.00 0.00 C ATOM 680 O ALA A 40 10.087 -3.786 2.572 1.00 0.00 O ATOM 681 CB ALA A 40 11.423 -1.124 3.616 1.00 0.00 C ATOM 0 H ALA A 40 9.346 -0.014 4.382 1.00 0.00 H new ATOM 0 HA ALA A 40 10.118 -1.289 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.163 -1.813 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.707 -0.101 3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.377 -1.238 4.699 1.00 0.00 H new ATOM 687 N VAL A 41 8.862 -3.075 4.321 1.00 0.00 N ATOM 688 CA VAL A 41 8.414 -4.406 4.682 1.00 0.00 C ATOM 689 C VAL A 41 7.279 -4.864 3.774 1.00 0.00 C ATOM 690 O VAL A 41 7.309 -5.972 3.238 1.00 0.00 O ATOM 691 CB VAL A 41 7.951 -4.468 6.153 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.446 -5.860 6.503 1.00 0.00 C ATOM 693 CG2 VAL A 41 9.081 -4.056 7.082 1.00 0.00 C ATOM 0 H VAL A 41 8.507 -2.331 4.922 1.00 0.00 H new ATOM 0 HA VAL A 41 9.266 -5.074 4.557 1.00 0.00 H new ATOM 0 HB VAL A 41 7.126 -3.768 6.283 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.125 -5.879 7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.604 -6.114 5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.247 -6.585 6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.738 -4.105 8.116 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.927 -4.730 6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.389 -3.037 6.850 1.00 0.00 H new ATOM 703 N LEU A 42 6.278 -4.006 3.601 1.00 0.00 N ATOM 704 CA LEU A 42 5.138 -4.333 2.754 1.00 0.00 C ATOM 705 C LEU A 42 5.588 -4.566 1.315 1.00 0.00 C ATOM 706 O LEU A 42 5.079 -5.456 0.634 1.00 0.00 O ATOM 707 CB LEU A 42 4.083 -3.223 2.818 1.00 0.00 C ATOM 708 CG LEU A 42 4.392 -1.970 1.996 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.880 -2.129 0.572 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.779 -0.742 2.651 1.00 0.00 C ATOM 0 H LEU A 42 6.234 -3.084 4.034 1.00 0.00 H new ATOM 0 HA LEU A 42 4.688 -5.254 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.131 -3.632 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.953 -2.930 3.860 1.00 0.00 H new ATOM 0 HG LEU A 42 5.473 -1.837 1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.108 -1.229 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.363 -2.987 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.801 -2.285 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.008 0.141 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.698 -0.866 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.191 -0.620 3.653 1.00 0.00 H new ATOM 722 N VAL A 43 6.552 -3.768 0.861 1.00 0.00 N ATOM 723 CA VAL A 43 7.071 -3.905 -0.495 1.00 0.00 C ATOM 724 C VAL A 43 7.697 -5.282 -0.689 1.00 0.00 C ATOM 725 O VAL A 43 7.516 -5.917 -1.728 1.00 0.00 O ATOM 726 CB VAL A 43 8.118 -2.818 -0.814 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.714 -3.027 -2.200 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.502 -1.432 -0.698 1.00 0.00 C ATOM 0 H VAL A 43 6.986 -3.025 1.409 1.00 0.00 H new ATOM 0 HA VAL A 43 6.230 -3.785 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 43 8.924 -2.899 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.449 -2.248 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.198 -4.003 -2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.922 -2.980 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.256 -0.679 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.674 -1.342 -1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.134 -1.281 0.317 1.00 0.00 H new ATOM 738 N GLY A 44 8.432 -5.739 0.321 1.00 0.00 N ATOM 739 CA GLY A 44 9.068 -7.040 0.243 1.00 0.00 C ATOM 740 C GLY A 44 8.060 -8.163 0.111 1.00 0.00 C ATOM 741 O GLY A 44 8.163 -8.999 -0.788 1.00 0.00 O ATOM 0 H GLY A 44 8.598 -5.232 1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.746 -7.060 -0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.673 -7.201 1.135 1.00 0.00 H new ATOM 745 N ASP A 45 7.078 -8.181 1.007 1.00 0.00 N ATOM 746 CA ASP A 45 6.043 -9.207 0.985 1.00 0.00 C ATOM 747 C ASP A 45 5.266 -9.166 -0.326 1.00 0.00 C ATOM 748 O ASP A 45 5.066 -10.194 -0.978 1.00 0.00 O ATOM 749 CB ASP A 45 5.088 -9.023 2.166 1.00 0.00 C ATOM 750 CG ASP A 45 5.810 -9.023 3.499 1.00 0.00 C ATOM 751 OD1 ASP A 45 6.942 -9.547 3.562 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.243 -8.498 4.481 1.00 0.00 O ATOM 0 H ASP A 45 6.978 -7.497 1.757 1.00 0.00 H new ATOM 0 HA ASP A 45 6.527 -10.180 1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.547 -8.084 2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.346 -9.822 2.158 1.00 0.00 H new ATOM 757 N LEU A 46 4.830 -7.969 -0.715 1.00 0.00 N ATOM 758 CA LEU A 46 4.077 -7.798 -1.953 1.00 0.00 C ATOM 759 C LEU A 46 4.802 -8.464 -3.118 1.00 0.00 C ATOM 760 O LEU A 46 4.185 -9.133 -3.942 1.00 0.00 O ATOM 761 CB LEU A 46 3.860 -6.310 -2.251 1.00 0.00 C ATOM 762 CG LEU A 46 2.540 -5.723 -1.737 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.496 -4.222 -1.974 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.351 -6.396 -2.409 1.00 0.00 C ATOM 0 H LEU A 46 4.985 -7.107 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 46 3.105 -8.275 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.684 -5.745 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.908 -6.162 -3.330 1.00 0.00 H new ATOM 0 HG LEU A 46 2.481 -5.910 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.552 -3.823 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.323 -3.746 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.581 -4.020 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.425 -5.964 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.407 -6.243 -3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.368 -7.464 -2.193 1.00 0.00 H new ATOM 776 N LYS A 47 6.116 -8.287 -3.174 1.00 0.00 N ATOM 777 CA LYS A 47 6.917 -8.885 -4.236 1.00 0.00 C ATOM 778 C LYS A 47 6.865 -10.408 -4.154 1.00 0.00 C ATOM 779 O LYS A 47 6.589 -11.088 -5.145 1.00 0.00 O ATOM 780 CB LYS A 47 8.368 -8.406 -4.141 1.00 0.00 C ATOM 781 CG LYS A 47 8.666 -7.192 -5.005 1.00 0.00 C ATOM 782 CD LYS A 47 9.480 -6.153 -4.249 1.00 0.00 C ATOM 783 CE LYS A 47 10.586 -5.571 -5.115 1.00 0.00 C ATOM 784 NZ LYS A 47 11.918 -6.144 -4.780 1.00 0.00 N ATOM 0 H LYS A 47 6.648 -7.737 -2.500 1.00 0.00 H new ATOM 0 HA LYS A 47 6.503 -8.573 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.596 -8.167 -3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.031 -9.221 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.211 -7.504 -5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.730 -6.747 -5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.823 -5.352 -3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.915 -6.608 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.363 -5.762 -6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.615 -4.489 -4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.643 -5.720 -5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.144 -5.940 -3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.900 -7.173 -4.926 1.00 0.00 H new ATOM 798 N LEU A 48 7.126 -10.939 -2.964 1.00 0.00 N ATOM 799 CA LEU A 48 7.109 -12.380 -2.743 1.00 0.00 C ATOM 800 C LEU A 48 5.799 -12.996 -3.226 1.00 0.00 C ATOM 801 O LEU A 48 5.752 -14.173 -3.589 1.00 0.00 O ATOM 802 CB LEU A 48 7.314 -12.691 -1.260 1.00 0.00 C ATOM 803 CG LEU A 48 8.734 -12.464 -0.740 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.705 -11.956 0.692 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.546 -13.747 -0.838 1.00 0.00 C ATOM 0 H LEU A 48 7.353 -10.390 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 48 7.926 -12.817 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.628 -12.076 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.040 -13.731 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 48 9.212 -11.706 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.725 -11.801 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.160 -11.013 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.210 -12.689 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.554 -13.569 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.070 -14.525 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.596 -14.067 -1.879 1.00 0.00 H new ATOM 817 N VAL A 49 4.738 -12.196 -3.231 1.00 0.00 N ATOM 818 CA VAL A 49 3.429 -12.667 -3.673 1.00 0.00 C ATOM 819 C VAL A 49 3.140 -12.222 -5.102 1.00 0.00 C ATOM 820 O VAL A 49 2.385 -12.869 -5.827 1.00 0.00 O ATOM 821 CB VAL A 49 2.311 -12.151 -2.751 1.00 0.00 C ATOM 822 CG1 VAL A 49 0.971 -12.760 -3.136 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.640 -12.443 -1.295 1.00 0.00 C ATOM 0 H VAL A 49 4.758 -11.220 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 49 3.451 -13.756 -3.633 1.00 0.00 H new ATOM 0 HB VAL A 49 2.238 -11.070 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.195 -12.381 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.731 -12.491 -4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.026 -13.845 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.837 -12.070 -0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.745 -13.519 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.574 -11.949 -1.027 1.00 0.00 H new ATOM 833 N ILE A 50 3.745 -11.107 -5.496 1.00 0.00 N ATOM 834 CA ILE A 50 3.557 -10.562 -6.833 1.00 0.00 C ATOM 835 C ILE A 50 4.828 -10.709 -7.668 1.00 0.00 C ATOM 836 O ILE A 50 5.083 -9.936 -8.590 1.00 0.00 O ATOM 837 CB ILE A 50 3.129 -9.076 -6.763 1.00 0.00 C ATOM 838 CG1 ILE A 50 1.789 -8.947 -6.032 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.033 -8.466 -8.153 1.00 0.00 C ATOM 840 CD1 ILE A 50 1.874 -8.154 -4.748 1.00 0.00 C ATOM 0 H ILE A 50 4.372 -10.562 -4.905 1.00 0.00 H new ATOM 0 HA ILE A 50 2.763 -11.130 -7.317 1.00 0.00 H new ATOM 0 HB ILE A 50 3.891 -8.529 -6.208 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.067 -8.472 -6.696 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.409 -9.944 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.730 -7.422 -8.072 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.004 -8.525 -8.644 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.295 -9.013 -8.740 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.888 -8.104 -4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.571 -8.640 -4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.224 -7.145 -4.966 1.00 0.00 H new ATOM 852 N ASN A 51 5.623 -11.720 -7.342 1.00 0.00 N ATOM 853 CA ASN A 51 6.865 -11.983 -8.062 1.00 0.00 C ATOM 854 C ASN A 51 6.626 -12.019 -9.572 1.00 0.00 C ATOM 855 O ASN A 51 7.533 -11.746 -10.359 1.00 0.00 O ATOM 856 CB ASN A 51 7.477 -13.307 -7.598 1.00 0.00 C ATOM 857 CG ASN A 51 8.972 -13.204 -7.367 1.00 0.00 C ATOM 858 OD1 ASN A 51 9.763 -13.873 -8.030 1.00 0.00 O ATOM 859 ND2 ASN A 51 9.367 -12.361 -6.419 1.00 0.00 N ATOM 0 H ASN A 51 5.431 -12.373 -6.583 1.00 0.00 H new ATOM 0 HA ASN A 51 7.560 -11.172 -7.843 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.991 -13.625 -6.676 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.280 -14.077 -8.344 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.361 -12.249 -6.217 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.677 -11.825 -5.893 1.00 0.00 H new ATOM 866 N GLU A 52 5.401 -12.354 -9.968 1.00 0.00 N ATOM 867 CA GLU A 52 5.043 -12.422 -11.379 1.00 0.00 C ATOM 868 C GLU A 52 4.395 -11.117 -11.838 1.00 0.00 C ATOM 869 O GLU A 52 3.839 -10.374 -11.029 1.00 0.00 O ATOM 870 CB GLU A 52 4.092 -13.594 -11.631 1.00 0.00 C ATOM 871 CG GLU A 52 4.780 -14.948 -11.625 1.00 0.00 C ATOM 872 CD GLU A 52 5.485 -15.249 -12.934 1.00 0.00 C ATOM 873 OE1 GLU A 52 4.813 -15.235 -13.987 1.00 0.00 O ATOM 874 OE2 GLU A 52 6.708 -15.501 -12.906 1.00 0.00 O ATOM 0 H GLU A 52 4.639 -12.583 -9.329 1.00 0.00 H new ATOM 0 HA GLU A 52 5.956 -12.576 -11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.312 -13.589 -10.869 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.599 -13.451 -12.593 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.504 -14.980 -10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.042 -15.726 -11.427 1.00 0.00 H new ATOM 881 N PRO A 53 4.459 -10.822 -13.147 1.00 0.00 N ATOM 882 CA PRO A 53 3.879 -9.601 -13.712 1.00 0.00 C ATOM 883 C PRO A 53 2.352 -9.609 -13.694 1.00 0.00 C ATOM 884 O PRO A 53 1.717 -8.556 -13.747 1.00 0.00 O ATOM 885 CB PRO A 53 4.392 -9.590 -15.149 1.00 0.00 C ATOM 886 CG PRO A 53 4.646 -11.019 -15.463 1.00 0.00 C ATOM 887 CD PRO A 53 5.105 -11.651 -14.180 1.00 0.00 C ATOM 0 HA PRO A 53 4.163 -8.720 -13.136 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.658 -9.158 -15.829 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.301 -8.995 -15.242 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.743 -11.503 -15.835 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.404 -11.119 -16.240 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.795 -12.694 -14.111 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.191 -11.634 -14.089 1.00 0.00 H new ATOM 895 N SER A 54 1.770 -10.802 -13.621 1.00 0.00 N ATOM 896 CA SER A 54 0.317 -10.942 -13.600 1.00 0.00 C ATOM 897 C SER A 54 -0.288 -10.230 -12.394 1.00 0.00 C ATOM 898 O SER A 54 -1.371 -9.650 -12.482 1.00 0.00 O ATOM 899 CB SER A 54 -0.073 -12.421 -13.582 1.00 0.00 C ATOM 900 OG SER A 54 -1.429 -12.595 -13.952 1.00 0.00 O ATOM 0 H SER A 54 2.280 -11.684 -13.575 1.00 0.00 H new ATOM 0 HA SER A 54 -0.077 -10.478 -14.504 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.568 -12.978 -14.266 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.091 -12.831 -12.586 1.00 0.00 H new ATOM 0 HG SER A 54 -1.653 -13.549 -13.934 1.00 0.00 H new ATOM 906 N ARG A 55 0.416 -10.280 -11.267 1.00 0.00 N ATOM 907 CA ARG A 55 -0.055 -9.641 -10.041 1.00 0.00 C ATOM 908 C ARG A 55 0.394 -8.180 -9.958 1.00 0.00 C ATOM 909 O ARG A 55 0.254 -7.542 -8.916 1.00 0.00 O ATOM 910 CB ARG A 55 0.453 -10.412 -8.821 1.00 0.00 C ATOM 911 CG ARG A 55 -0.345 -11.669 -8.519 1.00 0.00 C ATOM 912 CD ARG A 55 0.546 -12.783 -7.994 1.00 0.00 C ATOM 913 NE ARG A 55 0.260 -14.062 -8.639 1.00 0.00 N ATOM 914 CZ ARG A 55 -0.804 -14.812 -8.359 1.00 0.00 C ATOM 915 NH1 ARG A 55 -1.684 -14.413 -7.448 1.00 0.00 N ATOM 916 NH2 ARG A 55 -0.989 -15.964 -8.992 1.00 0.00 N ATOM 0 H ARG A 55 1.314 -10.756 -11.177 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.145 -9.656 -10.055 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.496 -10.684 -8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.426 -9.757 -7.950 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.117 -11.443 -7.784 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.854 -12.004 -9.423 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.591 -12.520 -8.159 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.408 -12.881 -6.917 1.00 0.00 H new ATOM 0 HE ARG A 55 0.914 -14.400 -9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.546 -13.528 -6.959 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.497 -14.991 -7.237 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.316 -16.275 -9.693 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.804 -16.539 -8.778 1.00 0.00 H new ATOM 930 N LEU A 56 0.930 -7.656 -11.058 1.00 0.00 N ATOM 931 CA LEU A 56 1.399 -6.271 -11.109 1.00 0.00 C ATOM 932 C LEU A 56 0.403 -5.301 -10.468 1.00 0.00 C ATOM 933 O LEU A 56 0.756 -4.562 -9.548 1.00 0.00 O ATOM 934 CB LEU A 56 1.661 -5.859 -12.559 1.00 0.00 C ATOM 935 CG LEU A 56 3.091 -6.093 -13.050 1.00 0.00 C ATOM 936 CD1 LEU A 56 3.114 -6.289 -14.557 1.00 0.00 C ATOM 937 CD2 LEU A 56 3.988 -4.930 -12.648 1.00 0.00 C ATOM 0 H LEU A 56 1.051 -8.171 -11.930 1.00 0.00 H new ATOM 0 HA LEU A 56 2.325 -6.220 -10.537 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.977 -6.408 -13.206 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.424 -4.801 -12.669 1.00 0.00 H new ATOM 0 HG LEU A 56 3.472 -7.001 -12.582 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.140 -6.454 -14.887 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.505 -7.153 -14.821 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.714 -5.400 -15.046 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.002 -5.112 -13.005 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.608 -4.008 -13.089 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.997 -4.836 -11.562 1.00 0.00 H new ATOM 949 N PRO A 57 -0.857 -5.280 -10.949 1.00 0.00 N ATOM 950 CA PRO A 57 -1.902 -4.393 -10.433 1.00 0.00 C ATOM 951 C PRO A 57 -1.850 -4.214 -8.915 1.00 0.00 C ATOM 952 O PRO A 57 -2.224 -3.165 -8.395 1.00 0.00 O ATOM 953 CB PRO A 57 -3.210 -5.088 -10.850 1.00 0.00 C ATOM 954 CG PRO A 57 -2.815 -6.291 -11.654 1.00 0.00 C ATOM 955 CD PRO A 57 -1.375 -6.105 -12.043 1.00 0.00 C ATOM 0 HA PRO A 57 -1.792 -3.384 -10.829 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.790 -5.380 -9.975 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.836 -4.417 -11.438 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.942 -7.203 -11.071 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.444 -6.387 -12.539 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.849 -7.056 -12.119 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.276 -5.608 -13.008 1.00 0.00 H new ATOM 963 N LEU A 58 -1.386 -5.240 -8.208 1.00 0.00 N ATOM 964 CA LEU A 58 -1.291 -5.183 -6.751 1.00 0.00 C ATOM 965 C LEU A 58 -0.443 -3.998 -6.296 1.00 0.00 C ATOM 966 O LEU A 58 -0.703 -3.406 -5.249 1.00 0.00 O ATOM 967 CB LEU A 58 -0.714 -6.491 -6.205 1.00 0.00 C ATOM 968 CG LEU A 58 -1.421 -7.043 -4.965 1.00 0.00 C ATOM 969 CD1 LEU A 58 -1.340 -6.048 -3.817 1.00 0.00 C ATOM 970 CD2 LEU A 58 -2.870 -7.381 -5.277 1.00 0.00 C ATOM 0 H LEU A 58 -1.070 -6.119 -8.618 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.297 -5.047 -6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.753 -7.244 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.338 -6.334 -5.965 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.914 -7.960 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.848 -6.458 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.295 -5.858 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.819 -5.114 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.353 -7.772 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.390 -6.482 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.907 -8.132 -6.066 1.00 0.00 H new ATOM 982 N PHE A 59 0.567 -3.652 -7.087 1.00 0.00 N ATOM 983 CA PHE A 59 1.444 -2.533 -6.754 1.00 0.00 C ATOM 984 C PHE A 59 0.718 -1.201 -6.931 1.00 0.00 C ATOM 985 O PHE A 59 0.714 -0.357 -6.031 1.00 0.00 O ATOM 986 CB PHE A 59 2.698 -2.558 -7.633 1.00 0.00 C ATOM 987 CG PHE A 59 3.516 -3.815 -7.497 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.546 -4.520 -6.303 1.00 0.00 C ATOM 989 CD2 PHE A 59 4.263 -4.285 -8.566 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.300 -5.671 -6.182 1.00 0.00 C ATOM 991 CE2 PHE A 59 5.020 -5.435 -8.448 1.00 0.00 C ATOM 992 CZ PHE A 59 5.038 -6.129 -7.255 1.00 0.00 C ATOM 0 H PHE A 59 0.799 -4.127 -7.959 1.00 0.00 H new ATOM 0 HA PHE A 59 1.737 -2.635 -5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.401 -2.441 -8.675 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.323 -1.701 -7.381 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.974 -4.165 -5.459 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.253 -3.746 -9.502 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.312 -6.213 -5.248 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.597 -5.791 -9.289 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.628 -7.029 -7.161 1.00 0.00 H new ATOM 1002 N ASP A 60 0.101 -1.020 -8.093 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.631 0.205 -8.389 1.00 0.00 C ATOM 1004 C ASP A 60 -1.944 0.248 -7.617 1.00 0.00 C ATOM 1005 O ASP A 60 -2.514 1.314 -7.401 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.906 0.312 -9.890 1.00 0.00 C ATOM 1007 CG ASP A 60 -1.064 1.748 -10.349 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -0.415 2.636 -9.755 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -1.836 1.986 -11.301 1.00 0.00 O ATOM 0 H ASP A 60 0.093 -1.707 -8.846 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.017 1.051 -8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.089 -0.154 -10.440 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.811 -0.245 -10.131 1.00 0.00 H new ATOM 1014 N ALA A 61 -2.418 -0.921 -7.212 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.659 -1.031 -6.463 1.00 0.00 C ATOM 1016 C ALA A 61 -3.526 -0.427 -5.066 1.00 0.00 C ATOM 1017 O ALA A 61 -4.355 0.379 -4.644 1.00 0.00 O ATOM 1018 CB ALA A 61 -4.074 -2.490 -6.374 1.00 0.00 C ATOM 0 H ALA A 61 -1.957 -1.813 -7.392 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.428 -0.467 -6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.005 -2.570 -5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.221 -2.888 -7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.295 -3.060 -5.868 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.486 -0.845 -4.349 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.238 -0.374 -2.987 1.00 0.00 C ATOM 1026 C ILE A 62 -1.682 1.050 -2.947 1.00 0.00 C ATOM 1027 O ILE A 62 -1.974 1.810 -2.026 1.00 0.00 O ATOM 1028 CB ILE A 62 -1.266 -1.312 -2.242 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.697 -2.771 -2.407 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -1.199 -0.945 -0.767 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.645 -3.764 -1.965 1.00 0.00 C ATOM 0 H ILE A 62 -1.796 -1.514 -4.691 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.208 -0.375 -2.490 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.273 -1.193 -2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.608 -2.940 -1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.941 -2.954 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.509 -1.616 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.850 0.082 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.190 -1.038 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.018 -4.778 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.260 -3.622 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.418 -3.608 -0.910 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.856 1.399 -3.929 1.00 0.00 N ATOM 1044 CA ARG A 63 -0.234 2.724 -3.983 1.00 0.00 C ATOM 1045 C ARG A 63 -1.212 3.857 -3.638 1.00 0.00 C ATOM 1046 O ARG A 63 -0.914 4.703 -2.795 1.00 0.00 O ATOM 1047 CB ARG A 63 0.364 2.965 -5.372 1.00 0.00 C ATOM 1048 CG ARG A 63 1.864 2.722 -5.440 1.00 0.00 C ATOM 1049 CD ARG A 63 2.348 2.599 -6.877 1.00 0.00 C ATOM 1050 NE ARG A 63 3.260 3.681 -7.241 1.00 0.00 N ATOM 1051 CZ ARG A 63 3.763 3.846 -8.463 1.00 0.00 C ATOM 1052 NH1 ARG A 63 3.443 3.005 -9.439 1.00 0.00 N ATOM 1053 NH2 ARG A 63 4.587 4.855 -8.709 1.00 0.00 N ATOM 0 H ARG A 63 -0.600 0.783 -4.701 1.00 0.00 H new ATOM 0 HA ARG A 63 0.551 2.735 -3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.134 2.314 -6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.157 3.991 -5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.388 3.541 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.111 1.812 -4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.851 1.641 -7.010 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.491 2.605 -7.550 1.00 0.00 H new ATOM 0 HE ARG A 63 3.527 4.348 -6.517 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.809 2.228 -9.255 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.831 3.136 -10.373 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.835 5.504 -7.963 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.973 4.982 -9.645 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.383 3.907 -4.298 1.00 0.00 N ATOM 1068 CA PRO A 64 -3.382 4.956 -4.066 1.00 0.00 C ATOM 1069 C PRO A 64 -3.559 5.317 -2.591 1.00 0.00 C ATOM 1070 O PRO A 64 -3.447 6.484 -2.217 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.659 4.327 -4.616 1.00 0.00 C ATOM 1072 CG PRO A 64 -4.193 3.445 -5.723 1.00 0.00 C ATOM 1073 CD PRO A 64 -2.816 2.963 -5.340 1.00 0.00 C ATOM 0 HA PRO A 64 -3.095 5.896 -4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.183 3.758 -3.849 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.352 5.087 -4.978 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.873 2.604 -5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.164 3.990 -6.667 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.842 1.940 -4.965 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.138 2.973 -6.194 1.00 0.00 H new ATOM 1081 N LEU A 65 -3.824 4.319 -1.754 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.000 4.563 -0.325 1.00 0.00 C ATOM 1083 C LEU A 65 -2.657 4.835 0.349 1.00 0.00 C ATOM 1084 O LEU A 65 -2.590 5.511 1.373 1.00 0.00 O ATOM 1085 CB LEU A 65 -4.709 3.388 0.356 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.182 2.000 -0.005 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.255 1.074 1.199 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.963 1.418 -1.178 1.00 0.00 C ATOM 0 H LEU A 65 -3.921 3.343 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.628 5.447 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.632 3.517 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.769 3.431 0.105 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.138 2.095 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.876 0.090 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.651 1.482 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.291 0.985 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.573 0.429 -1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.016 1.337 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.859 2.071 -2.044 1.00 0.00 H new ATOM 1100 N ILE A 66 -1.588 4.304 -0.240 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.246 4.491 0.297 1.00 0.00 C ATOM 1102 C ILE A 66 0.164 5.965 0.234 1.00 0.00 C ATOM 1103 O ILE A 66 -0.025 6.624 -0.789 1.00 0.00 O ATOM 1104 CB ILE A 66 0.785 3.629 -0.473 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.575 2.146 -0.162 1.00 0.00 C ATOM 1106 CG2 ILE A 66 2.212 4.041 -0.133 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.549 1.236 -0.879 1.00 0.00 C ATOM 0 H ILE A 66 -1.627 3.741 -1.090 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.261 4.172 1.339 1.00 0.00 H new ATOM 0 HB ILE A 66 0.631 3.794 -1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.669 1.991 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.442 1.866 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.913 3.418 -0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.363 5.086 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.383 3.914 0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.342 0.200 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.440 1.362 -1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.568 1.490 -0.586 1.00 0.00 H new ATOM 1119 N PRO A 67 0.740 6.500 1.328 1.00 0.00 N ATOM 1120 CA PRO A 67 1.184 7.897 1.388 1.00 0.00 C ATOM 1121 C PRO A 67 1.925 8.337 0.149 1.00 0.00 C ATOM 1122 O PRO A 67 2.752 7.615 -0.406 1.00 0.00 O ATOM 1123 CB PRO A 67 2.104 7.919 2.606 1.00 0.00 C ATOM 1124 CG PRO A 67 1.566 6.855 3.497 1.00 0.00 C ATOM 1125 CD PRO A 67 1.013 5.785 2.591 1.00 0.00 C ATOM 0 HA PRO A 67 0.342 8.585 1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.138 7.717 2.326 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.090 8.892 3.097 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.349 6.454 4.140 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.789 7.251 4.151 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.728 4.975 2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.107 5.341 3.003 1.00 0.00 H new ATOM 1133 N LEU A 68 1.600 9.544 -0.258 1.00 0.00 N ATOM 1134 CA LEU A 68 2.185 10.166 -1.419 1.00 0.00 C ATOM 1135 C LEU A 68 3.708 10.089 -1.382 1.00 0.00 C ATOM 1136 O LEU A 68 4.352 9.874 -2.411 1.00 0.00 O ATOM 1137 CB LEU A 68 1.716 11.609 -1.428 1.00 0.00 C ATOM 1138 CG LEU A 68 0.609 11.918 -2.428 1.00 0.00 C ATOM 1139 CD1 LEU A 68 0.241 13.394 -2.381 1.00 0.00 C ATOM 1140 CD2 LEU A 68 1.027 11.511 -3.832 1.00 0.00 C ATOM 0 H LEU A 68 0.911 10.127 0.217 1.00 0.00 H new ATOM 0 HA LEU A 68 1.873 9.649 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.366 11.868 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.570 12.252 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.273 11.339 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.551 13.595 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.106 13.651 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.116 13.995 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.223 11.740 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.924 12.060 -4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.234 10.441 -3.854 1.00 0.00 H new ATOM 1152 N LYS A 69 4.279 10.245 -0.193 1.00 0.00 N ATOM 1153 CA LYS A 69 5.726 10.168 -0.032 1.00 0.00 C ATOM 1154 C LYS A 69 6.181 8.720 -0.160 1.00 0.00 C ATOM 1155 O LYS A 69 7.155 8.416 -0.854 1.00 0.00 O ATOM 1156 CB LYS A 69 6.144 10.731 1.329 1.00 0.00 C ATOM 1157 CG LYS A 69 5.473 12.050 1.675 1.00 0.00 C ATOM 1158 CD LYS A 69 5.893 12.544 3.051 1.00 0.00 C ATOM 1159 CE LYS A 69 4.835 12.239 4.099 1.00 0.00 C ATOM 1160 NZ LYS A 69 5.423 12.110 5.460 1.00 0.00 N ATOM 0 H LYS A 69 3.765 10.425 0.670 1.00 0.00 H new ATOM 0 HA LYS A 69 6.199 10.764 -0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.909 10.000 2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.225 10.870 1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.729 12.798 0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.390 11.927 1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.835 12.074 3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.071 13.619 3.014 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.087 13.031 4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.320 11.315 3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.669 11.902 6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.119 11.337 5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.892 13.001 5.721 1.00 0.00 H new ATOM 1174 N HIS A 70 5.452 7.829 0.503 1.00 0.00 N ATOM 1175 CA HIS A 70 5.756 6.408 0.458 1.00 0.00 C ATOM 1176 C HIS A 70 5.570 5.869 -0.956 1.00 0.00 C ATOM 1177 O HIS A 70 6.183 4.875 -1.335 1.00 0.00 O ATOM 1178 CB HIS A 70 4.863 5.641 1.436 1.00 0.00 C ATOM 1179 CG HIS A 70 4.957 6.136 2.847 1.00 0.00 C ATOM 1180 ND1 HIS A 70 4.524 5.404 3.932 1.00 0.00 N ATOM 1181 CD2 HIS A 70 5.439 7.299 3.349 1.00 0.00 C ATOM 1182 CE1 HIS A 70 4.733 6.095 5.039 1.00 0.00 C ATOM 1183 NE2 HIS A 70 5.287 7.247 4.712 1.00 0.00 N ATOM 0 H HIS A 70 4.645 8.069 1.079 1.00 0.00 H new ATOM 0 HA HIS A 70 6.797 6.268 0.751 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.828 5.713 1.103 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.134 4.585 1.411 1.00 0.00 H new ATOM 0 HD1 HIS A 70 4.107 4.474 3.887 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.863 8.114 2.782 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.491 5.772 6.041 1.00 0.00 H new ATOM 1192 N GLN A 71 4.727 6.544 -1.737 1.00 0.00 N ATOM 1193 CA GLN A 71 4.474 6.139 -3.114 1.00 0.00 C ATOM 1194 C GLN A 71 5.761 6.220 -3.926 1.00 0.00 C ATOM 1195 O GLN A 71 6.141 5.269 -4.608 1.00 0.00 O ATOM 1196 CB GLN A 71 3.395 7.026 -3.741 1.00 0.00 C ATOM 1197 CG GLN A 71 2.064 6.320 -3.934 1.00 0.00 C ATOM 1198 CD GLN A 71 0.984 7.247 -4.456 1.00 0.00 C ATOM 1199 OE1 GLN A 71 1.140 7.870 -5.506 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -0.119 7.343 -3.723 1.00 0.00 N ATOM 0 H GLN A 71 4.210 7.371 -1.438 1.00 0.00 H new ATOM 0 HA GLN A 71 4.119 5.108 -3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.244 7.902 -3.110 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.749 7.387 -4.707 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.194 5.491 -4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.743 5.892 -2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.205 6.808 -2.859 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.880 7.952 -4.024 1.00 0.00 H new ATOM 1209 N VAL A 72 6.435 7.362 -3.835 1.00 0.00 N ATOM 1210 CA VAL A 72 7.689 7.561 -4.548 1.00 0.00 C ATOM 1211 C VAL A 72 8.726 6.556 -4.072 1.00 0.00 C ATOM 1212 O VAL A 72 9.304 5.818 -4.869 1.00 0.00 O ATOM 1213 CB VAL A 72 8.250 8.978 -4.340 1.00 0.00 C ATOM 1214 CG1 VAL A 72 9.323 9.283 -5.375 1.00 0.00 C ATOM 1215 CG2 VAL A 72 7.138 10.016 -4.392 1.00 0.00 C ATOM 0 H VAL A 72 6.134 8.160 -3.276 1.00 0.00 H new ATOM 0 HA VAL A 72 7.479 7.421 -5.608 1.00 0.00 H new ATOM 0 HB VAL A 72 8.705 9.023 -3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.709 10.289 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.136 8.563 -5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.894 9.215 -6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.560 11.010 -4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.646 9.974 -5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.410 9.809 -3.607 1.00 0.00 H new ATOM 1225 N GLU A 73 8.945 6.518 -2.758 1.00 0.00 N ATOM 1226 CA GLU A 73 9.901 5.586 -2.178 1.00 0.00 C ATOM 1227 C GLU A 73 9.520 4.163 -2.549 1.00 0.00 C ATOM 1228 O GLU A 73 10.380 3.323 -2.811 1.00 0.00 O ATOM 1229 CB GLU A 73 9.955 5.742 -0.656 1.00 0.00 C ATOM 1230 CG GLU A 73 10.924 4.788 0.021 1.00 0.00 C ATOM 1231 CD GLU A 73 11.435 5.319 1.347 1.00 0.00 C ATOM 1232 OE1 GLU A 73 10.727 6.138 1.970 1.00 0.00 O ATOM 1233 OE2 GLU A 73 12.541 4.914 1.762 1.00 0.00 O ATOM 0 H GLU A 73 8.475 7.119 -2.082 1.00 0.00 H new ATOM 0 HA GLU A 73 10.891 5.807 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.239 6.766 -0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.957 5.583 -0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.431 3.830 0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.769 4.603 -0.642 1.00 0.00 H new ATOM 1240 N TYR A 74 8.217 3.911 -2.607 1.00 0.00 N ATOM 1241 CA TYR A 74 7.715 2.602 -2.990 1.00 0.00 C ATOM 1242 C TYR A 74 8.199 2.283 -4.397 1.00 0.00 C ATOM 1243 O TYR A 74 8.487 1.133 -4.728 1.00 0.00 O ATOM 1244 CB TYR A 74 6.187 2.573 -2.932 1.00 0.00 C ATOM 1245 CG TYR A 74 5.582 1.256 -3.369 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.259 1.025 -4.699 1.00 0.00 C ATOM 1247 CD2 TYR A 74 5.332 0.247 -2.448 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.704 -0.176 -5.101 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.778 -0.956 -2.840 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.466 -1.163 -4.167 1.00 0.00 C ATOM 1251 OH TYR A 74 3.912 -2.359 -4.561 1.00 0.00 O ATOM 0 H TYR A 74 7.492 4.596 -2.394 1.00 0.00 H new ATOM 0 HA TYR A 74 8.090 1.851 -2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.868 2.788 -1.912 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.794 3.370 -3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.444 1.796 -5.432 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.575 0.406 -1.408 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.458 -0.340 -6.140 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.590 -1.730 -2.111 1.00 0.00 H new ATOM 0 HH TYR A 74 4.265 -2.609 -5.441 1.00 0.00 H new ATOM 1261 N ASP A 75 8.305 3.330 -5.215 1.00 0.00 N ATOM 1262 CA ASP A 75 8.777 3.185 -6.584 1.00 0.00 C ATOM 1263 C ASP A 75 10.281 2.926 -6.600 1.00 0.00 C ATOM 1264 O ASP A 75 10.784 2.184 -7.442 1.00 0.00 O ATOM 1265 CB ASP A 75 8.454 4.442 -7.395 1.00 0.00 C ATOM 1266 CG ASP A 75 8.228 4.138 -8.863 1.00 0.00 C ATOM 1267 OD1 ASP A 75 8.885 3.215 -9.387 1.00 0.00 O ATOM 1268 OD2 ASP A 75 7.393 4.823 -9.489 1.00 0.00 O ATOM 0 H ASP A 75 8.069 4.286 -4.950 1.00 0.00 H new ATOM 0 HA ASP A 75 8.268 2.335 -7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.564 4.918 -6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.272 5.156 -7.296 1.00 0.00 H new ATOM 1273 N GLN A 76 10.994 3.543 -5.656 1.00 0.00 N ATOM 1274 CA GLN A 76 12.439 3.375 -5.562 1.00 0.00 C ATOM 1275 C GLN A 76 12.797 1.939 -5.197 1.00 0.00 C ATOM 1276 O GLN A 76 13.812 1.408 -5.647 1.00 0.00 O ATOM 1277 CB GLN A 76 13.017 4.338 -4.524 1.00 0.00 C ATOM 1278 CG GLN A 76 12.632 5.789 -4.757 1.00 0.00 C ATOM 1279 CD GLN A 76 13.011 6.687 -3.596 1.00 0.00 C ATOM 1280 OE1 GLN A 76 14.046 6.494 -2.958 1.00 0.00 O ATOM 1281 NE2 GLN A 76 12.172 7.678 -3.316 1.00 0.00 N ATOM 0 H GLN A 76 10.593 4.160 -4.950 1.00 0.00 H new ATOM 0 HA GLN A 76 12.871 3.600 -6.537 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.678 4.036 -3.533 1.00 0.00 H new ATOM 0 HB3 GLN A 76 14.104 4.254 -4.529 1.00 0.00 H new ATOM 0 HG2 GLN A 76 13.118 6.149 -5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.557 5.853 -4.925 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.325 7.801 -3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.375 8.316 -2.546 1.00 0.00 H new ATOM 1290 N LEU A 77 11.957 1.316 -4.377 1.00 0.00 N ATOM 1291 CA LEU A 77 12.185 -0.059 -3.951 1.00 0.00 C ATOM 1292 C LEU A 77 11.829 -1.040 -5.061 1.00 0.00 C ATOM 1293 O LEU A 77 12.527 -2.032 -5.275 1.00 0.00 O ATOM 1294 CB LEU A 77 11.364 -0.369 -2.696 1.00 0.00 C ATOM 1295 CG LEU A 77 11.995 0.088 -1.381 1.00 0.00 C ATOM 1296 CD1 LEU A 77 11.000 -0.038 -0.238 1.00 0.00 C ATOM 1297 CD2 LEU A 77 13.251 -0.717 -1.086 1.00 0.00 C ATOM 0 H LEU A 77 11.113 1.742 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 77 13.245 -0.170 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.386 0.102 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.197 -1.445 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 77 12.273 1.137 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.468 0.292 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.128 0.582 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.690 -1.078 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.688 -0.379 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.996 -1.774 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.971 -0.576 -1.892 1.00 0.00 H new ATOM 1398 N ARG B 103 -5.043 7.275 5.981 1.00 0.00 N ATOM 1399 CA ARG B 103 -6.438 7.191 6.397 1.00 0.00 C ATOM 1400 C ARG B 103 -7.163 6.077 5.644 1.00 0.00 C ATOM 1401 O ARG B 103 -8.004 5.379 6.209 1.00 0.00 O ATOM 1402 CB ARG B 103 -7.144 8.527 6.159 1.00 0.00 C ATOM 1403 CG ARG B 103 -8.535 8.597 6.769 1.00 0.00 C ATOM 1404 CD ARG B 103 -9.388 9.657 6.091 1.00 0.00 C ATOM 1405 NE ARG B 103 -10.320 9.075 5.127 1.00 0.00 N ATOM 1406 CZ ARG B 103 -10.924 9.772 4.167 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -10.695 11.073 4.037 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -11.757 9.166 3.334 1.00 0.00 N ATOM 0 HA ARG B 103 -6.461 6.961 7.462 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -6.534 9.330 6.573 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -7.218 8.704 5.086 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -9.022 7.626 6.681 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -8.456 8.818 7.833 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -9.946 10.211 6.846 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -8.741 10.373 5.584 1.00 0.00 H new ATOM 0 HE ARG B 103 -10.519 8.077 5.194 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -10.053 11.544 4.675 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -11.161 11.602 3.299 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -11.935 8.166 3.428 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -12.220 9.699 2.598 1.00 0.00 H new ATOM 1422 N TYR B 104 -6.832 5.921 4.367 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.450 4.892 3.538 1.00 0.00 C ATOM 1424 C TYR B 104 -7.024 3.500 3.989 1.00 0.00 C ATOM 1425 O TYR B 104 -7.781 2.537 3.869 1.00 0.00 O ATOM 1426 CB TYR B 104 -7.078 5.102 2.069 1.00 0.00 C ATOM 1427 CG TYR B 104 -8.058 5.969 1.312 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -9.284 5.464 0.894 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -7.758 7.292 1.014 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -10.182 6.253 0.201 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -8.651 8.089 0.322 1.00 0.00 C ATOM 1432 CZ TYR B 104 -9.862 7.565 -0.083 1.00 0.00 C ATOM 1433 OH TYR B 104 -10.753 8.353 -0.770 1.00 0.00 O ATOM 0 H TYR B 104 -6.140 6.493 3.883 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.531 4.973 3.648 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -6.088 5.556 2.015 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -7.011 4.131 1.578 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -9.539 4.438 1.115 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -6.811 7.705 1.328 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -11.130 5.845 -0.117 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -8.402 9.116 0.100 1.00 0.00 H new ATOM 0 HH TYR B 104 -10.375 9.249 -0.887 1.00 0.00 H new ATOM 1443 N LEU B 105 -5.804 3.401 4.510 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.276 2.125 4.979 1.00 0.00 C ATOM 1445 C LEU B 105 -6.179 1.526 6.053 1.00 0.00 C ATOM 1446 O LEU B 105 -6.594 0.371 5.954 1.00 0.00 O ATOM 1447 CB LEU B 105 -3.860 2.309 5.530 1.00 0.00 C ATOM 1448 CG LEU B 105 -2.737 2.067 4.520 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -1.393 2.462 5.111 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -2.721 0.609 4.083 1.00 0.00 C ATOM 0 H LEU B 105 -5.164 4.188 4.618 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.243 1.438 4.133 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.766 3.323 5.919 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -3.723 1.631 6.372 1.00 0.00 H new ATOM 0 HG LEU B 105 -2.921 2.688 3.643 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.606 2.283 4.378 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -1.408 3.519 5.375 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.199 1.867 6.004 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.916 0.453 3.364 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -2.560 -0.029 4.952 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -3.675 0.358 3.619 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.482 2.316 7.076 1.00 0.00 N ATOM 1463 CA ARG B 106 -7.337 1.859 8.164 1.00 0.00 C ATOM 1464 C ARG B 106 -8.731 1.517 7.652 1.00 0.00 C ATOM 1465 O ARG B 106 -9.392 0.622 8.175 1.00 0.00 O ATOM 1466 CB ARG B 106 -7.426 2.926 9.260 1.00 0.00 C ATOM 1467 CG ARG B 106 -8.008 4.246 8.781 1.00 0.00 C ATOM 1468 CD ARG B 106 -8.877 4.890 9.850 1.00 0.00 C ATOM 1469 NE ARG B 106 -9.883 5.780 9.275 1.00 0.00 N ATOM 1470 CZ ARG B 106 -10.981 6.172 9.917 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -11.220 5.756 11.155 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -11.844 6.983 9.320 1.00 0.00 N ATOM 0 H ARG B 106 -6.149 3.275 7.175 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.894 0.957 8.586 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -8.038 2.545 10.077 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -6.429 3.104 9.664 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -7.199 4.925 8.510 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -8.600 4.079 7.881 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -9.371 4.112 10.432 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -8.247 5.452 10.539 1.00 0.00 H new ATOM 0 HE ARG B 106 -9.735 6.121 8.325 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -10.560 5.132 11.620 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -12.063 6.060 11.641 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -11.666 7.306 8.369 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -12.686 7.284 9.812 1.00 0.00 H new ATOM 1486 N GLU B 107 -9.176 2.235 6.625 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.493 2.001 6.046 1.00 0.00 C ATOM 1488 C GLU B 107 -10.626 0.560 5.564 1.00 0.00 C ATOM 1489 O GLU B 107 -11.510 -0.173 6.006 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.745 2.967 4.885 1.00 0.00 C ATOM 1491 CG GLU B 107 -11.529 4.205 5.285 1.00 0.00 C ATOM 1492 CD GLU B 107 -11.852 5.098 4.101 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -12.070 4.561 2.996 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -11.886 6.333 4.282 1.00 0.00 O ATOM 0 H GLU B 107 -8.644 2.982 6.178 1.00 0.00 H new ATOM 0 HA GLU B 107 -11.239 2.177 6.821 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -9.788 3.274 4.464 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -11.286 2.443 4.098 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -12.457 3.902 5.771 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -10.956 4.773 6.018 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.737 0.160 4.660 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.753 -1.196 4.121 1.00 0.00 C ATOM 1503 C ALA B 108 -9.289 -2.203 5.168 1.00 0.00 C ATOM 1504 O ALA B 108 -9.848 -3.294 5.286 1.00 0.00 O ATOM 1505 CB ALA B 108 -8.881 -1.280 2.879 1.00 0.00 C ATOM 0 H ALA B 108 -8.997 0.754 4.286 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.778 -1.442 3.846 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -8.902 -2.297 2.488 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -9.258 -0.592 2.122 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -7.856 -1.011 3.135 1.00 0.00 H new ATOM 1511 N ILE B 109 -8.263 -1.829 5.924 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.718 -2.696 6.963 1.00 0.00 C ATOM 1513 C ILE B 109 -8.798 -3.086 7.972 1.00 0.00 C ATOM 1514 O ILE B 109 -9.038 -4.271 8.211 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.540 -2.009 7.695 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.317 -1.946 6.778 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -6.191 -2.737 8.986 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -4.232 -1.020 7.281 1.00 0.00 C ATOM 0 H ILE B 109 -7.791 -0.929 5.837 1.00 0.00 H new ATOM 0 HA ILE B 109 -7.350 -3.600 6.477 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.848 -0.996 7.953 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.905 -2.949 6.666 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.632 -1.619 5.787 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -5.360 -2.230 9.476 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -7.057 -2.739 9.648 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.906 -3.764 8.759 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.396 -1.025 6.581 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.628 -0.008 7.366 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.889 -1.359 8.259 1.00 0.00 H new ATOM 1530 N GLN B 110 -9.450 -2.088 8.559 1.00 0.00 N ATOM 1531 CA GLN B 110 -10.501 -2.339 9.537 1.00 0.00 C ATOM 1532 C GLN B 110 -11.670 -3.076 8.899 1.00 0.00 C ATOM 1533 O GLN B 110 -12.273 -3.951 9.519 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.980 -1.029 10.165 1.00 0.00 C ATOM 1535 CG GLN B 110 -11.196 -1.120 11.667 1.00 0.00 C ATOM 1536 CD GLN B 110 -10.062 -0.494 12.456 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -9.115 0.047 11.884 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -10.152 -0.564 13.779 1.00 0.00 N ATOM 0 H GLN B 110 -9.270 -1.101 8.375 1.00 0.00 H new ATOM 0 HA GLN B 110 -10.085 -2.969 10.323 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -10.249 -0.247 9.958 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -11.913 -0.727 9.689 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -12.132 -0.625 11.927 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -11.299 -2.167 11.953 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -10.954 -1.021 14.212 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -9.419 -0.160 14.362 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.981 -2.730 7.653 1.00 0.00 N ATOM 1548 CA GLU B 111 -13.074 -3.382 6.941 1.00 0.00 C ATOM 1549 C GLU B 111 -12.899 -4.891 6.994 1.00 0.00 C ATOM 1550 O GLU B 111 -13.848 -5.632 7.253 1.00 0.00 O ATOM 1551 CB GLU B 111 -13.135 -2.908 5.487 1.00 0.00 C ATOM 1552 CG GLU B 111 -14.551 -2.734 4.965 1.00 0.00 C ATOM 1553 CD GLU B 111 -15.391 -3.985 5.127 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -15.845 -4.253 6.260 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -15.593 -4.699 4.123 1.00 0.00 O ATOM 0 H GLU B 111 -11.496 -2.008 7.120 1.00 0.00 H new ATOM 0 HA GLU B 111 -14.012 -3.114 7.427 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -12.605 -1.959 5.400 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -12.610 -3.626 4.857 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -15.030 -1.909 5.492 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -14.514 -2.460 3.911 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.670 -5.335 6.770 1.00 0.00 N ATOM 1563 CA TYR B 112 -11.356 -6.754 6.817 1.00 0.00 C ATOM 1564 C TYR B 112 -11.431 -7.247 8.253 1.00 0.00 C ATOM 1565 O TYR B 112 -11.835 -8.379 8.511 1.00 0.00 O ATOM 1566 CB TYR B 112 -9.969 -7.020 6.235 1.00 0.00 C ATOM 1567 CG TYR B 112 -9.610 -8.487 6.171 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -10.330 -9.364 5.368 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -8.553 -8.996 6.915 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -10.006 -10.706 5.309 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -8.223 -10.338 6.860 1.00 0.00 C ATOM 1572 CZ TYR B 112 -8.952 -11.187 6.055 1.00 0.00 C ATOM 1573 OH TYR B 112 -8.626 -12.523 5.998 1.00 0.00 O ATOM 0 H TYR B 112 -10.876 -4.733 6.554 1.00 0.00 H new ATOM 0 HA TYR B 112 -12.085 -7.296 6.214 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.919 -6.598 5.231 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -9.225 -6.499 6.838 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -11.156 -8.990 4.781 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -7.980 -8.333 7.546 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -10.576 -11.375 4.681 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -7.399 -10.719 7.445 1.00 0.00 H new ATOM 0 HH TYR B 112 -7.859 -12.698 6.582 1.00 0.00 H new ATOM 1583 N ASP B 113 -11.057 -6.377 9.190 1.00 0.00 N ATOM 1584 CA ASP B 113 -11.109 -6.726 10.602 1.00 0.00 C ATOM 1585 C ASP B 113 -12.540 -7.069 10.997 1.00 0.00 C ATOM 1586 O ASP B 113 -12.774 -7.901 11.874 1.00 0.00 O ATOM 1587 CB ASP B 113 -10.589 -5.570 11.458 1.00 0.00 C ATOM 1588 CG ASP B 113 -10.453 -5.947 12.921 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -9.732 -6.922 13.217 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -11.067 -5.267 13.769 1.00 0.00 O ATOM 0 H ASP B 113 -10.718 -5.435 8.996 1.00 0.00 H new ATOM 0 HA ASP B 113 -10.473 -7.595 10.773 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -9.620 -5.248 11.077 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -11.266 -4.721 11.366 1.00 0.00 H new ATOM 1595 N ASN B 114 -13.495 -6.425 10.329 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.908 -6.661 10.591 1.00 0.00 C ATOM 1597 C ASN B 114 -15.394 -7.906 9.854 1.00 0.00 C ATOM 1598 O ASN B 114 -16.263 -8.628 10.343 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.738 -5.447 10.171 1.00 0.00 C ATOM 1600 CG ASN B 114 -17.166 -5.521 10.677 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -17.818 -6.561 10.581 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -17.661 -4.413 11.215 1.00 0.00 N ATOM 0 H ASN B 114 -13.312 -5.734 9.601 1.00 0.00 H new ATOM 0 HA ASN B 114 -15.033 -6.821 11.662 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -15.268 -4.540 10.550 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -15.744 -5.373 9.084 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -18.617 -4.401 11.569 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -17.085 -3.573 11.274 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.831 -8.151 8.674 1.00 0.00 N ATOM 1610 CA ILE B 115 -15.212 -9.308 7.874 1.00 0.00 C ATOM 1611 C ILE B 115 -14.686 -10.599 8.491 1.00 0.00 C ATOM 1612 O ILE B 115 -15.448 -11.530 8.753 1.00 0.00 O ATOM 1613 CB ILE B 115 -14.690 -9.188 6.428 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -15.166 -7.876 5.800 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -15.150 -10.374 5.594 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -14.185 -7.291 4.807 1.00 0.00 C ATOM 0 H ILE B 115 -14.111 -7.564 8.252 1.00 0.00 H new ATOM 0 HA ILE B 115 -16.301 -9.337 7.856 1.00 0.00 H new ATOM 0 HB ILE B 115 -13.600 -9.188 6.452 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -16.119 -8.047 5.299 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -15.347 -7.148 6.591 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -14.772 -10.272 4.577 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -14.769 -11.296 6.032 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -16.239 -10.405 5.575 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -14.587 -6.363 4.402 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -13.238 -7.088 5.307 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -14.022 -8.000 3.996 1.00 0.00 H new