USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 753 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 43 ASN :FLIP amide:sc=-0.00418 F(o=-1.6!,f=-0.0042) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 HIS : no HE2:sc= -1.91! C(o=-1.9!,f=-9.2!) USER MOD Set 2.2: A 49 LYS NZ :NH3+ 166:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00145) USER MOD Single : A 1 MET N :NH3+ -121:sc= -0.259 (180deg=-0.398) USER MOD Single : A 4 THR OG1 : rot 160:sc= 0.182! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -26:sc= 0.577 USER MOD Single : A 27 ASN : amide:sc= -0.251 K(o=-0.25,f=-1.3) USER MOD Single : A 28 LYS NZ :NH3+ 137:sc= -1.27 (180deg=-2.61!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0468 USER MOD Single : A 55 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.05 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.68 F(o=-1.5,f=-0.68) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 157:sc= 0 (180deg=-0.379) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 89 LYS NZ :NH3+ -172:sc= 1.49 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.663 -19.179 -4.302 1.00 0.00 N ATOM 2 CA MET A 1 -3.601 -19.789 -3.453 1.00 0.00 C ATOM 3 C MET A 1 -2.320 -19.940 -4.270 1.00 0.00 C ATOM 4 O MET A 1 -1.648 -20.967 -4.202 1.00 0.00 O ATOM 5 CB MET A 1 -4.070 -21.161 -2.961 1.00 0.00 C ATOM 6 CG MET A 1 -5.246 -20.986 -1.994 1.00 0.00 C ATOM 7 SD MET A 1 -5.771 -22.604 -1.366 1.00 0.00 S ATOM 8 CE MET A 1 -6.853 -23.072 -2.742 1.00 0.00 C ATOM 0 H1 MET A 1 -4.987 -18.291 -3.868 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.280 -18.982 -5.249 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.464 -19.837 -4.382 1.00 0.00 H new ATOM 0 HA MET A 1 -3.404 -19.147 -2.594 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.371 -21.779 -3.807 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.251 -21.680 -2.463 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.954 -20.341 -1.165 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.077 -20.496 -2.502 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.298 -24.046 -2.540 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.643 -22.329 -2.853 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.271 -23.123 -3.662 1.00 0.00 H new ATOM 20 N GLU A 2 -1.990 -18.907 -5.044 1.00 0.00 N ATOM 21 CA GLU A 2 -0.787 -18.932 -5.871 1.00 0.00 C ATOM 22 C GLU A 2 -0.490 -17.532 -6.418 1.00 0.00 C ATOM 23 O GLU A 2 -0.507 -17.318 -7.630 1.00 0.00 O ATOM 24 CB GLU A 2 -0.977 -19.920 -7.038 1.00 0.00 C ATOM 25 CG GLU A 2 0.373 -20.226 -7.708 1.00 0.00 C ATOM 26 CD GLU A 2 1.238 -21.088 -6.790 1.00 0.00 C ATOM 27 OE1 GLU A 2 0.882 -22.237 -6.581 1.00 0.00 O ATOM 28 OE2 GLU A 2 2.241 -20.587 -6.311 1.00 0.00 O ATOM 0 H GLU A 2 -2.536 -18.048 -5.115 1.00 0.00 H new ATOM 0 HA GLU A 2 0.055 -19.256 -5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.426 -20.843 -6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.666 -19.499 -7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.208 -20.742 -8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.891 -19.295 -7.939 1.00 0.00 H new ATOM 35 N PRO A 3 -0.224 -16.577 -5.555 1.00 0.00 N ATOM 36 CA PRO A 3 0.071 -15.178 -5.981 1.00 0.00 C ATOM 37 C PRO A 3 1.487 -15.048 -6.546 1.00 0.00 C ATOM 38 O PRO A 3 2.166 -16.046 -6.785 1.00 0.00 O ATOM 39 CB PRO A 3 -0.114 -14.368 -4.683 1.00 0.00 C ATOM 40 CG PRO A 3 0.264 -15.325 -3.592 1.00 0.00 C ATOM 41 CD PRO A 3 -0.175 -16.719 -4.082 1.00 0.00 C ATOM 0 HA PRO A 3 -0.575 -14.830 -6.787 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.521 -13.482 -4.673 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.142 -14.024 -4.572 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.337 -15.298 -3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -0.231 -15.066 -2.656 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.532 -17.491 -3.778 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -1.147 -16.998 -3.675 1.00 0.00 H new ATOM 49 N THR A 4 1.918 -13.809 -6.767 1.00 0.00 N ATOM 50 CA THR A 4 3.246 -13.548 -7.316 1.00 0.00 C ATOM 51 C THR A 4 4.311 -13.717 -6.240 1.00 0.00 C ATOM 52 O THR A 4 5.497 -13.848 -6.541 1.00 0.00 O ATOM 53 CB THR A 4 3.303 -12.122 -7.867 1.00 0.00 C ATOM 54 OG1 THR A 4 3.174 -11.199 -6.795 1.00 0.00 O ATOM 55 CG2 THR A 4 2.160 -11.918 -8.860 1.00 0.00 C ATOM 0 H THR A 4 1.369 -12.971 -6.575 1.00 0.00 H new ATOM 0 HA THR A 4 3.438 -14.261 -8.118 1.00 0.00 H new ATOM 0 HB THR A 4 4.255 -11.960 -8.372 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.517 -10.324 -7.074 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.198 -10.903 -9.255 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.259 -12.630 -9.680 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.207 -12.076 -8.355 1.00 0.00 H new ATOM 63 N ALA A 5 3.876 -13.713 -4.984 1.00 0.00 N ATOM 64 CA ALA A 5 4.797 -13.867 -3.861 1.00 0.00 C ATOM 65 C ALA A 5 5.941 -12.863 -3.956 1.00 0.00 C ATOM 66 O ALA A 5 6.994 -13.155 -4.522 1.00 0.00 O ATOM 67 CB ALA A 5 5.363 -15.287 -3.844 1.00 0.00 C ATOM 0 H ALA A 5 2.897 -13.605 -4.718 1.00 0.00 H new ATOM 0 HA ALA A 5 4.246 -13.681 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.049 -15.395 -3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.547 -16.003 -3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.897 -15.477 -4.775 1.00 0.00 H new ATOM 73 N PHE A 6 5.724 -11.676 -3.394 1.00 0.00 N ATOM 74 CA PHE A 6 6.739 -10.622 -3.413 1.00 0.00 C ATOM 75 C PHE A 6 7.785 -10.875 -2.325 1.00 0.00 C ATOM 76 O PHE A 6 7.457 -11.317 -1.223 1.00 0.00 O ATOM 77 CB PHE A 6 6.063 -9.258 -3.186 1.00 0.00 C ATOM 78 CG PHE A 6 5.287 -8.847 -4.429 1.00 0.00 C ATOM 79 CD1 PHE A 6 3.920 -9.136 -4.540 1.00 0.00 C ATOM 80 CD2 PHE A 6 5.942 -8.171 -5.469 1.00 0.00 C ATOM 81 CE1 PHE A 6 3.211 -8.751 -5.684 1.00 0.00 C ATOM 82 CE2 PHE A 6 5.232 -7.788 -6.613 1.00 0.00 C ATOM 83 CZ PHE A 6 3.867 -8.076 -6.721 1.00 0.00 C ATOM 0 H PHE A 6 4.858 -11.419 -2.921 1.00 0.00 H new ATOM 0 HA PHE A 6 7.238 -10.623 -4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.391 -9.314 -2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 6 6.815 -8.505 -2.952 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.413 -9.657 -3.741 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.995 -7.946 -5.387 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.158 -8.975 -5.767 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.739 -7.269 -7.414 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.320 -7.778 -7.603 1.00 0.00 H new ATOM 93 N SER A 7 9.050 -10.592 -2.653 1.00 0.00 N ATOM 94 CA SER A 7 10.163 -10.786 -1.713 1.00 0.00 C ATOM 95 C SER A 7 10.402 -9.517 -0.900 1.00 0.00 C ATOM 96 O SER A 7 9.682 -8.537 -1.048 1.00 0.00 O ATOM 97 CB SER A 7 11.434 -11.130 -2.485 1.00 0.00 C ATOM 98 OG SER A 7 11.220 -12.316 -3.239 1.00 0.00 O ATOM 0 H SER A 7 9.331 -10.227 -3.563 1.00 0.00 H new ATOM 0 HA SER A 7 9.907 -11.601 -1.036 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.704 -10.308 -3.148 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.266 -11.270 -1.795 1.00 0.00 H new ATOM 0 HG SER A 7 12.034 -12.538 -3.737 1.00 0.00 H new ATOM 104 N GLY A 8 11.417 -9.542 -0.043 1.00 0.00 N ATOM 105 CA GLY A 8 11.735 -8.380 0.782 1.00 0.00 C ATOM 106 C GLY A 8 12.223 -7.211 -0.068 1.00 0.00 C ATOM 107 O GLY A 8 11.958 -6.052 0.241 1.00 0.00 O ATOM 0 H GLY A 8 12.029 -10.346 0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.852 -8.079 1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.501 -8.647 1.510 1.00 0.00 H new ATOM 111 N SER A 9 12.949 -7.518 -1.138 1.00 0.00 N ATOM 112 CA SER A 9 13.480 -6.480 -2.019 1.00 0.00 C ATOM 113 C SER A 9 12.362 -5.835 -2.828 1.00 0.00 C ATOM 114 O SER A 9 12.597 -4.898 -3.588 1.00 0.00 O ATOM 115 CB SER A 9 14.518 -7.077 -2.969 1.00 0.00 C ATOM 116 OG SER A 9 15.078 -6.039 -3.764 1.00 0.00 O ATOM 0 H SER A 9 13.183 -8.471 -1.416 1.00 0.00 H new ATOM 0 HA SER A 9 13.951 -5.717 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.301 -7.579 -2.401 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.054 -7.830 -3.607 1.00 0.00 H new ATOM 0 HG SER A 9 14.435 -5.303 -3.841 1.00 0.00 H new ATOM 122 N ASP A 10 11.142 -6.336 -2.658 1.00 0.00 N ATOM 123 CA ASP A 10 10.004 -5.786 -3.381 1.00 0.00 C ATOM 124 C ASP A 10 9.725 -4.361 -2.911 1.00 0.00 C ATOM 125 O ASP A 10 9.721 -4.095 -1.710 1.00 0.00 O ATOM 126 CB ASP A 10 8.759 -6.664 -3.150 1.00 0.00 C ATOM 127 CG ASP A 10 8.199 -6.467 -1.736 1.00 0.00 C ATOM 128 OD1 ASP A 10 8.985 -6.224 -0.835 1.00 0.00 O ATOM 129 OD2 ASP A 10 6.991 -6.554 -1.580 1.00 0.00 O ATOM 0 H ASP A 10 10.919 -7.112 -2.034 1.00 0.00 H new ATOM 0 HA ASP A 10 10.237 -5.771 -4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.994 -6.416 -3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.017 -7.712 -3.300 1.00 0.00 H new ATOM 134 N VAL A 11 9.478 -3.453 -3.862 1.00 0.00 N ATOM 135 CA VAL A 11 9.175 -2.054 -3.533 1.00 0.00 C ATOM 136 C VAL A 11 7.923 -1.590 -4.299 1.00 0.00 C ATOM 137 O VAL A 11 7.969 -1.453 -5.521 1.00 0.00 O ATOM 138 CB VAL A 11 10.375 -1.151 -3.877 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.755 -1.275 -5.376 1.00 0.00 C ATOM 140 CG2 VAL A 11 10.039 0.325 -3.518 1.00 0.00 C ATOM 0 H VAL A 11 9.482 -3.659 -4.861 1.00 0.00 H new ATOM 0 HA VAL A 11 8.980 -1.980 -2.463 1.00 0.00 H new ATOM 0 HB VAL A 11 11.234 -1.475 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.605 -0.627 -5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.021 -2.308 -5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.907 -0.977 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.889 0.962 -3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.168 0.649 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.824 0.400 -2.452 1.00 0.00 H new ATOM 150 N PRO A 12 6.802 -1.362 -3.640 1.00 0.00 N ATOM 151 CA PRO A 12 5.562 -0.931 -4.342 1.00 0.00 C ATOM 152 C PRO A 12 5.597 0.558 -4.701 1.00 0.00 C ATOM 153 O PRO A 12 6.307 1.344 -4.074 1.00 0.00 O ATOM 154 CB PRO A 12 4.453 -1.260 -3.327 1.00 0.00 C ATOM 155 CG PRO A 12 5.104 -1.083 -1.991 1.00 0.00 C ATOM 156 CD PRO A 12 6.578 -1.478 -2.178 1.00 0.00 C ATOM 0 HA PRO A 12 5.418 -1.431 -5.300 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.598 -0.594 -3.443 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.085 -2.278 -3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.017 -0.052 -1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.625 -1.709 -1.238 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.241 -0.818 -1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.767 -2.492 -1.825 1.00 0.00 H new ATOM 164 N ARG A 13 4.819 0.930 -5.716 1.00 0.00 N ATOM 165 CA ARG A 13 4.745 2.320 -6.171 1.00 0.00 C ATOM 166 C ARG A 13 3.411 2.557 -6.876 1.00 0.00 C ATOM 167 O ARG A 13 2.999 1.766 -7.727 1.00 0.00 O ATOM 168 CB ARG A 13 5.908 2.628 -7.126 1.00 0.00 C ATOM 169 CG ARG A 13 5.886 4.110 -7.527 1.00 0.00 C ATOM 170 CD ARG A 13 7.088 4.412 -8.424 1.00 0.00 C ATOM 171 NE ARG A 13 6.982 3.666 -9.678 1.00 0.00 N ATOM 172 CZ ARG A 13 6.228 4.104 -10.683 1.00 0.00 C ATOM 173 NH1 ARG A 13 6.158 3.419 -11.791 1.00 0.00 N ATOM 174 NH2 ARG A 13 5.557 5.215 -10.557 1.00 0.00 N ATOM 0 H ARG A 13 4.228 0.286 -6.242 1.00 0.00 H new ATOM 0 HA ARG A 13 4.818 2.982 -5.309 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.856 2.388 -6.645 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.834 2.002 -8.015 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.959 4.342 -8.052 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.915 4.739 -6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.137 5.481 -8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.011 4.144 -7.910 1.00 0.00 H new ATOM 0 HE ARG A 13 7.497 2.792 -9.784 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.681 2.548 -11.886 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.580 3.754 -12.562 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.610 5.747 -9.689 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.979 5.552 -11.327 1.00 0.00 H new ATOM 188 N LEU A 14 2.741 3.642 -6.510 1.00 0.00 N ATOM 189 CA LEU A 14 1.450 3.971 -7.107 1.00 0.00 C ATOM 190 C LEU A 14 1.622 4.353 -8.592 1.00 0.00 C ATOM 191 O LEU A 14 2.270 5.359 -8.886 1.00 0.00 O ATOM 192 CB LEU A 14 0.828 5.148 -6.344 1.00 0.00 C ATOM 193 CG LEU A 14 0.777 4.836 -4.835 1.00 0.00 C ATOM 194 CD1 LEU A 14 0.156 6.028 -4.096 1.00 0.00 C ATOM 195 CD2 LEU A 14 -0.060 3.561 -4.567 1.00 0.00 C ATOM 0 H LEU A 14 3.066 4.306 -5.807 1.00 0.00 H new ATOM 0 HA LEU A 14 0.798 3.100 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.412 6.052 -6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.178 5.342 -6.717 1.00 0.00 H new ATOM 0 HG LEU A 14 1.791 4.662 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.117 5.814 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.763 6.917 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.854 6.201 -4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.083 3.359 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.077 3.710 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.390 2.715 -5.086 1.00 0.00 H new ATOM 207 N PRO A 15 1.080 3.594 -9.539 1.00 0.00 N ATOM 208 CA PRO A 15 1.226 3.920 -10.991 1.00 0.00 C ATOM 209 C PRO A 15 0.269 5.027 -11.436 1.00 0.00 C ATOM 210 O PRO A 15 -0.656 5.388 -10.715 1.00 0.00 O ATOM 211 CB PRO A 15 0.917 2.584 -11.685 1.00 0.00 C ATOM 212 CG PRO A 15 -0.093 1.930 -10.792 1.00 0.00 C ATOM 213 CD PRO A 15 0.271 2.361 -9.356 1.00 0.00 C ATOM 0 HA PRO A 15 2.215 4.309 -11.235 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.520 2.739 -12.688 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.813 1.972 -11.788 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.104 2.245 -11.050 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.061 0.845 -10.894 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.621 2.555 -8.760 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.837 1.586 -8.839 1.00 0.00 H new ATOM 221 N ARG A 16 0.505 5.561 -12.628 1.00 0.00 N ATOM 222 CA ARG A 16 -0.341 6.625 -13.159 1.00 0.00 C ATOM 223 C ARG A 16 -1.805 6.190 -13.161 1.00 0.00 C ATOM 224 O ARG A 16 -2.121 5.043 -13.477 1.00 0.00 O ATOM 225 CB ARG A 16 0.098 6.969 -14.586 1.00 0.00 C ATOM 226 CG ARG A 16 -0.721 8.148 -15.119 1.00 0.00 C ATOM 227 CD ARG A 16 -0.211 8.534 -16.508 1.00 0.00 C ATOM 228 NE ARG A 16 -0.457 7.450 -17.452 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.019 7.517 -18.705 1.00 0.00 C ATOM 230 NH1 ARG A 16 -0.247 6.532 -19.530 1.00 0.00 N ATOM 231 NH2 ARG A 16 0.638 8.569 -19.111 1.00 0.00 N ATOM 0 H ARG A 16 1.269 5.278 -13.242 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.238 7.505 -12.525 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.159 7.218 -14.598 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.033 6.102 -15.234 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.776 7.879 -15.169 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.640 8.997 -14.441 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.709 9.442 -16.847 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.856 8.753 -16.464 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.974 6.626 -17.145 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.762 5.710 -19.213 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.089 6.584 -20.492 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.815 9.340 -18.467 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.974 8.621 -20.073 1.00 0.00 H new ATOM 245 N GLY A 17 -2.695 7.116 -12.806 1.00 0.00 N ATOM 246 CA GLY A 17 -4.131 6.829 -12.767 1.00 0.00 C ATOM 247 C GLY A 17 -4.546 6.310 -11.397 1.00 0.00 C ATOM 248 O GLY A 17 -5.706 5.956 -11.185 1.00 0.00 O ATOM 0 H GLY A 17 -2.449 8.070 -12.542 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.693 7.733 -13.003 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.379 6.091 -13.530 1.00 0.00 H new ATOM 252 N VAL A 18 -3.590 6.274 -10.463 1.00 0.00 N ATOM 253 CA VAL A 18 -3.852 5.804 -9.094 1.00 0.00 C ATOM 254 C VAL A 18 -3.387 6.849 -8.087 1.00 0.00 C ATOM 255 O VAL A 18 -2.244 7.302 -8.128 1.00 0.00 O ATOM 256 CB VAL A 18 -3.109 4.485 -8.844 1.00 0.00 C ATOM 257 CG1 VAL A 18 -3.413 3.979 -7.430 1.00 0.00 C ATOM 258 CG2 VAL A 18 -3.560 3.444 -9.875 1.00 0.00 C ATOM 0 H VAL A 18 -2.626 6.564 -10.628 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.923 5.643 -8.976 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.036 4.649 -8.940 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.883 3.042 -7.257 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.087 4.720 -6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.485 3.814 -7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.033 2.506 -9.699 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.634 3.280 -9.781 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.334 3.804 -10.879 1.00 0.00 H new ATOM 268 N ARG A 19 -4.288 7.228 -7.183 1.00 0.00 N ATOM 269 CA ARG A 19 -3.986 8.222 -6.151 1.00 0.00 C ATOM 270 C ARG A 19 -4.701 7.867 -4.854 1.00 0.00 C ATOM 271 O ARG A 19 -5.651 7.085 -4.854 1.00 0.00 O ATOM 272 CB ARG A 19 -4.414 9.608 -6.633 1.00 0.00 C ATOM 273 CG ARG A 19 -5.902 9.595 -6.989 1.00 0.00 C ATOM 274 CD ARG A 19 -6.287 10.948 -7.586 1.00 0.00 C ATOM 275 NE ARG A 19 -7.710 10.967 -7.918 1.00 0.00 N ATOM 276 CZ ARG A 19 -8.221 11.902 -8.715 1.00 0.00 C ATOM 277 NH1 ARG A 19 -9.496 11.895 -8.997 1.00 0.00 N ATOM 278 NH2 ARG A 19 -7.448 12.825 -9.217 1.00 0.00 N ATOM 0 H ARG A 19 -5.239 6.860 -7.143 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.913 8.228 -5.962 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.223 10.349 -5.856 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.825 9.899 -7.503 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.111 8.797 -7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.499 9.393 -6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.061 11.744 -6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.695 11.141 -8.481 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.323 10.250 -7.531 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.101 11.173 -8.606 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.887 12.612 -9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.452 12.830 -8.999 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.840 13.542 -9.828 1.00 0.00 H new ATOM 292 N LEU A 20 -4.235 8.440 -3.746 1.00 0.00 N ATOM 293 CA LEU A 20 -4.829 8.175 -2.434 1.00 0.00 C ATOM 294 C LEU A 20 -5.863 9.244 -2.097 1.00 0.00 C ATOM 295 O LEU A 20 -5.629 10.434 -2.307 1.00 0.00 O ATOM 296 CB LEU A 20 -3.733 8.175 -1.360 1.00 0.00 C ATOM 297 CG LEU A 20 -2.551 7.294 -1.799 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.544 7.211 -0.649 1.00 0.00 C ATOM 299 CD2 LEU A 20 -3.032 5.879 -2.179 1.00 0.00 C ATOM 0 H LEU A 20 -3.449 9.090 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.317 7.201 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.389 9.194 -1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.139 7.807 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.081 7.737 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.701 6.589 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.188 8.212 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.026 6.774 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.178 5.275 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.514 5.415 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.744 5.945 -3.002 1.00 0.00 H new ATOM 311 N ARG A 21 -7.012 8.812 -1.570 1.00 0.00 N ATOM 312 CA ARG A 21 -8.088 9.741 -1.200 1.00 0.00 C ATOM 313 C ARG A 21 -8.725 9.312 0.112 1.00 0.00 C ATOM 314 O ARG A 21 -8.846 8.121 0.394 1.00 0.00 O ATOM 315 CB ARG A 21 -9.157 9.776 -2.296 1.00 0.00 C ATOM 316 CG ARG A 21 -8.538 10.300 -3.591 1.00 0.00 C ATOM 317 CD ARG A 21 -9.607 10.371 -4.680 1.00 0.00 C ATOM 318 NE ARG A 21 -10.617 11.360 -4.325 1.00 0.00 N ATOM 319 CZ ARG A 21 -11.697 11.545 -5.078 1.00 0.00 C ATOM 320 NH1 ARG A 21 -12.581 12.441 -4.735 1.00 0.00 N ATOM 321 NH2 ARG A 21 -11.872 10.834 -6.159 1.00 0.00 N ATOM 0 H ARG A 21 -7.222 7.830 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.659 10.736 -1.083 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.566 8.778 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.986 10.415 -1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.107 11.287 -3.426 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.725 9.646 -3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.149 10.633 -5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.073 9.394 -4.808 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.493 11.921 -3.482 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.443 12.997 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.411 12.585 -5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.179 10.135 -6.427 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.701 10.978 -6.735 1.00 0.00 H new ATOM 335 N PHE A 22 -9.129 10.296 0.917 1.00 0.00 N ATOM 336 CA PHE A 22 -9.753 10.023 2.213 1.00 0.00 C ATOM 337 C PHE A 22 -11.273 10.123 2.104 1.00 0.00 C ATOM 338 O PHE A 22 -11.818 11.185 1.802 1.00 0.00 O ATOM 339 CB PHE A 22 -9.234 11.024 3.253 1.00 0.00 C ATOM 340 CG PHE A 22 -9.714 12.414 2.899 1.00 0.00 C ATOM 341 CD1 PHE A 22 -10.832 12.959 3.545 1.00 0.00 C ATOM 342 CD2 PHE A 22 -9.049 13.142 1.910 1.00 0.00 C ATOM 343 CE1 PHE A 22 -11.281 14.238 3.202 1.00 0.00 C ATOM 344 CE2 PHE A 22 -9.497 14.423 1.567 1.00 0.00 C ATOM 345 CZ PHE A 22 -10.613 14.972 2.213 1.00 0.00 C ATOM 0 H PHE A 22 -9.036 11.287 0.695 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.495 9.011 2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.587 10.748 4.247 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.145 11.001 3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -11.346 12.392 4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.191 12.717 1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -12.142 14.660 3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -8.982 14.989 0.804 1.00 0.00 H new ATOM 0 HZ PHE A 22 -10.958 15.961 1.949 1.00 0.00 H new ATOM 355 N ASP A 23 -11.956 9.009 2.352 1.00 0.00 N ATOM 356 CA ASP A 23 -13.418 8.978 2.287 1.00 0.00 C ATOM 357 C ASP A 23 -14.003 9.260 3.669 1.00 0.00 C ATOM 358 O ASP A 23 -13.993 8.399 4.549 1.00 0.00 O ATOM 359 CB ASP A 23 -13.875 7.599 1.780 1.00 0.00 C ATOM 360 CG ASP A 23 -13.664 7.488 0.269 1.00 0.00 C ATOM 361 OD1 ASP A 23 -12.992 8.346 -0.282 1.00 0.00 O ATOM 362 OD2 ASP A 23 -14.190 6.556 -0.315 1.00 0.00 O ATOM 0 H ASP A 23 -11.525 8.118 2.599 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.772 9.745 1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.317 6.814 2.290 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.928 7.448 2.018 1.00 0.00 H new ATOM 367 N GLU A 24 -14.509 10.477 3.849 1.00 0.00 N ATOM 368 CA GLU A 24 -15.096 10.871 5.124 1.00 0.00 C ATOM 369 C GLU A 24 -16.334 10.032 5.419 1.00 0.00 C ATOM 370 O GLU A 24 -16.591 9.668 6.566 1.00 0.00 O ATOM 371 CB GLU A 24 -15.469 12.357 5.086 1.00 0.00 C ATOM 372 CG GLU A 24 -15.966 12.807 6.465 1.00 0.00 C ATOM 373 CD GLU A 24 -16.240 14.308 6.462 1.00 0.00 C ATOM 374 OE1 GLU A 24 -16.270 14.887 5.389 1.00 0.00 O ATOM 375 OE2 GLU A 24 -16.418 14.857 7.537 1.00 0.00 O ATOM 0 H GLU A 24 -14.524 11.203 3.132 1.00 0.00 H new ATOM 0 HA GLU A 24 -14.365 10.704 5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.604 12.950 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -16.243 12.527 4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.874 12.265 6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.221 12.567 7.224 1.00 0.00 H new ATOM 382 N VAL A 25 -17.097 9.733 4.376 1.00 0.00 N ATOM 383 CA VAL A 25 -18.311 8.941 4.532 1.00 0.00 C ATOM 384 C VAL A 25 -17.970 7.536 5.036 1.00 0.00 C ATOM 385 O VAL A 25 -18.653 7.000 5.910 1.00 0.00 O ATOM 386 CB VAL A 25 -19.063 8.861 3.175 1.00 0.00 C ATOM 387 CG1 VAL A 25 -19.913 10.128 2.963 1.00 0.00 C ATOM 388 CG2 VAL A 25 -18.045 8.738 2.022 1.00 0.00 C ATOM 0 H VAL A 25 -16.899 10.024 3.419 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.956 9.422 5.267 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.714 7.987 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -20.435 10.060 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -20.641 10.217 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -19.265 11.005 2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -18.576 8.682 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.390 9.609 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.449 7.836 2.158 1.00 0.00 H new ATOM 398 N ARG A 26 -16.912 6.942 4.487 1.00 0.00 N ATOM 399 CA ARG A 26 -16.496 5.599 4.896 1.00 0.00 C ATOM 400 C ARG A 26 -15.671 5.659 6.184 1.00 0.00 C ATOM 401 O ARG A 26 -15.495 4.649 6.860 1.00 0.00 O ATOM 402 CB ARG A 26 -15.665 4.953 3.786 1.00 0.00 C ATOM 403 CG ARG A 26 -16.531 4.755 2.539 1.00 0.00 C ATOM 404 CD ARG A 26 -15.673 4.199 1.404 1.00 0.00 C ATOM 405 NE ARG A 26 -15.209 2.856 1.739 1.00 0.00 N ATOM 406 CZ ARG A 26 -16.023 1.807 1.665 1.00 0.00 C ATOM 407 NH1 ARG A 26 -15.581 0.617 1.964 1.00 0.00 N ATOM 408 NH2 ARG A 26 -17.266 1.969 1.299 1.00 0.00 N ATOM 0 H ARG A 26 -16.330 7.364 3.763 1.00 0.00 H new ATOM 0 HA ARG A 26 -17.389 5.001 5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.807 5.582 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.273 3.994 4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.351 4.071 2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -16.978 5.703 2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.251 4.173 0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.820 4.854 1.228 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.243 2.720 2.035 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.611 0.491 2.254 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.205 -0.188 1.907 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.613 2.900 1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -17.890 1.164 1.242 1.00 0.00 H new ATOM 422 N ASN A 27 -15.181 6.856 6.510 1.00 0.00 N ATOM 423 CA ASN A 27 -14.375 7.073 7.718 1.00 0.00 C ATOM 424 C ASN A 27 -13.002 6.410 7.589 1.00 0.00 C ATOM 425 O ASN A 27 -12.271 6.280 8.572 1.00 0.00 O ATOM 426 CB ASN A 27 -15.111 6.530 8.962 1.00 0.00 C ATOM 427 CG ASN A 27 -14.522 7.122 10.242 1.00 0.00 C ATOM 428 OD1 ASN A 27 -14.159 8.296 10.276 1.00 0.00 O ATOM 429 ND2 ASN A 27 -14.404 6.368 11.303 1.00 0.00 N ATOM 0 H ASN A 27 -15.328 7.697 5.952 1.00 0.00 H new ATOM 0 HA ASN A 27 -14.227 8.147 7.835 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -16.172 6.773 8.898 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -15.035 5.443 8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -14.010 6.753 12.161 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -14.706 5.394 11.273 1.00 0.00 H new ATOM 436 N LYS A 28 -12.654 6.002 6.368 1.00 0.00 N ATOM 437 CA LYS A 28 -11.360 5.361 6.101 1.00 0.00 C ATOM 438 C LYS A 28 -10.848 5.762 4.724 1.00 0.00 C ATOM 439 O LYS A 28 -11.594 6.295 3.904 1.00 0.00 O ATOM 440 CB LYS A 28 -11.489 3.836 6.184 1.00 0.00 C ATOM 441 CG LYS A 28 -12.669 3.368 5.338 1.00 0.00 C ATOM 442 CD LYS A 28 -12.759 1.841 5.394 1.00 0.00 C ATOM 443 CE LYS A 28 -13.930 1.360 4.532 1.00 0.00 C ATOM 444 NZ LYS A 28 -15.213 1.786 5.160 1.00 0.00 N ATOM 0 H LYS A 28 -13.249 6.103 5.546 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.649 5.695 6.857 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.570 3.365 5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.630 3.530 7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.594 3.812 5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.545 3.699 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.828 1.399 5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.895 1.513 6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.850 1.773 3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.903 0.275 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.856 2.146 4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.653 0.973 5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.027 2.536 5.856 1.00 0.00 H new ATOM 458 N HIS A 29 -9.566 5.496 4.477 1.00 0.00 N ATOM 459 CA HIS A 29 -8.948 5.827 3.194 1.00 0.00 C ATOM 460 C HIS A 29 -9.123 4.679 2.218 1.00 0.00 C ATOM 461 O HIS A 29 -9.189 3.516 2.614 1.00 0.00 O ATOM 462 CB HIS A 29 -7.452 6.103 3.383 1.00 0.00 C ATOM 463 CG HIS A 29 -7.261 7.352 4.196 1.00 0.00 C ATOM 464 ND1 HIS A 29 -7.294 7.345 5.579 1.00 0.00 N ATOM 465 CD2 HIS A 29 -7.028 8.652 3.831 1.00 0.00 C ATOM 466 CE1 HIS A 29 -7.087 8.607 5.996 1.00 0.00 C ATOM 467 NE2 HIS A 29 -6.919 9.445 4.969 1.00 0.00 N ATOM 0 H HIS A 29 -8.937 5.053 5.147 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.434 6.718 2.797 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.978 5.258 3.882 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.968 6.213 2.412 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -7.447 6.531 6.174 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.942 9.007 2.815 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.060 8.906 7.033 1.00 0.00 H new ATOM 475 N VAL A 30 -9.202 5.019 0.935 1.00 0.00 N ATOM 476 CA VAL A 30 -9.378 4.017 -0.121 1.00 0.00 C ATOM 477 C VAL A 30 -8.481 4.343 -1.306 1.00 0.00 C ATOM 478 O VAL A 30 -8.052 5.484 -1.476 1.00 0.00 O ATOM 479 CB VAL A 30 -10.840 4.001 -0.573 1.00 0.00 C ATOM 480 CG1 VAL A 30 -11.732 3.577 0.597 1.00 0.00 C ATOM 481 CG2 VAL A 30 -11.250 5.402 -1.041 1.00 0.00 C ATOM 0 H VAL A 30 -9.147 5.980 0.597 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.106 3.037 0.270 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.955 3.295 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.773 3.566 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.445 2.580 0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.614 4.283 1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.291 5.388 -1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.133 6.109 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.617 5.707 -1.874 1.00 0.00 H new ATOM 491 N LEU A 31 -8.201 3.333 -2.128 1.00 0.00 N ATOM 492 CA LEU A 31 -7.351 3.515 -3.309 1.00 0.00 C ATOM 493 C LEU A 31 -8.222 3.711 -4.541 1.00 0.00 C ATOM 494 O LEU A 31 -9.028 2.846 -4.886 1.00 0.00 O ATOM 495 CB LEU A 31 -6.465 2.274 -3.506 1.00 0.00 C ATOM 496 CG LEU A 31 -5.436 2.504 -4.633 1.00 0.00 C ATOM 497 CD1 LEU A 31 -4.438 3.629 -4.260 1.00 0.00 C ATOM 498 CD2 LEU A 31 -4.677 1.192 -4.881 1.00 0.00 C ATOM 0 H LEU A 31 -8.548 2.382 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.721 4.393 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.946 2.042 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.088 1.412 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.962 2.813 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.726 3.768 -5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.983 4.558 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.902 3.354 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.946 1.339 -5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.165 0.890 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.381 0.414 -5.176 1.00 0.00 H new ATOM 510 N LEU A 32 -8.054 4.847 -5.207 1.00 0.00 N ATOM 511 CA LEU A 32 -8.825 5.137 -6.411 1.00 0.00 C ATOM 512 C LEU A 32 -8.184 4.431 -7.598 1.00 0.00 C ATOM 513 O LEU A 32 -7.244 4.946 -8.203 1.00 0.00 O ATOM 514 CB LEU A 32 -8.849 6.652 -6.657 1.00 0.00 C ATOM 515 CG LEU A 32 -9.808 7.007 -7.819 1.00 0.00 C ATOM 516 CD1 LEU A 32 -11.283 6.695 -7.452 1.00 0.00 C ATOM 517 CD2 LEU A 32 -9.651 8.501 -8.145 1.00 0.00 C ATOM 0 H LEU A 32 -7.396 5.578 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.848 4.782 -6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.164 7.167 -5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.844 7.003 -6.890 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.552 6.400 -8.687 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.929 6.956 -8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.386 5.633 -7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.571 7.277 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.321 8.767 -8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.900 9.094 -7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.621 8.703 -8.439 1.00 0.00 H new ATOM 529 N ALA A 33 -8.694 3.246 -7.928 1.00 0.00 N ATOM 530 CA ALA A 33 -8.160 2.469 -9.050 1.00 0.00 C ATOM 531 C ALA A 33 -8.991 2.768 -10.305 1.00 0.00 C ATOM 532 O ALA A 33 -10.162 3.130 -10.198 1.00 0.00 O ATOM 533 CB ALA A 33 -8.211 0.962 -8.701 1.00 0.00 C ATOM 0 H ALA A 33 -9.472 2.803 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.123 2.744 -9.241 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.814 0.382 -9.534 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.612 0.774 -7.810 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.243 0.667 -8.512 1.00 0.00 H new ATOM 539 N PRO A 34 -8.423 2.636 -11.480 1.00 0.00 N ATOM 540 CA PRO A 34 -9.166 2.917 -12.741 1.00 0.00 C ATOM 541 C PRO A 34 -10.338 1.950 -12.920 1.00 0.00 C ATOM 542 O PRO A 34 -11.340 2.284 -13.555 1.00 0.00 O ATOM 543 CB PRO A 34 -8.094 2.755 -13.845 1.00 0.00 C ATOM 544 CG PRO A 34 -7.061 1.851 -13.239 1.00 0.00 C ATOM 545 CD PRO A 34 -7.035 2.204 -11.749 1.00 0.00 C ATOM 0 HA PRO A 34 -9.621 3.907 -12.758 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.519 2.321 -14.750 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.664 3.717 -14.125 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.319 0.803 -13.390 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.084 2.008 -13.697 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.754 1.347 -11.137 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.318 2.997 -11.535 1.00 0.00 H new ATOM 553 N GLU A 35 -10.204 0.748 -12.359 1.00 0.00 N ATOM 554 CA GLU A 35 -11.258 -0.262 -12.464 1.00 0.00 C ATOM 555 C GLU A 35 -12.383 0.029 -11.472 1.00 0.00 C ATOM 556 O GLU A 35 -13.552 0.094 -11.855 1.00 0.00 O ATOM 557 CB GLU A 35 -10.661 -1.649 -12.178 1.00 0.00 C ATOM 558 CG GLU A 35 -11.674 -2.753 -12.521 1.00 0.00 C ATOM 559 CD GLU A 35 -11.860 -2.860 -14.034 1.00 0.00 C ATOM 560 OE1 GLU A 35 -11.113 -2.216 -14.754 1.00 0.00 O ATOM 561 OE2 GLU A 35 -12.749 -3.584 -14.450 1.00 0.00 O ATOM 0 H GLU A 35 -9.383 0.451 -11.831 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.672 -0.238 -13.472 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.752 -1.787 -12.763 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.379 -1.720 -11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.329 -3.707 -12.123 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.631 -2.537 -12.046 1.00 0.00 H new ATOM 568 N ARG A 36 -12.016 0.210 -10.200 1.00 0.00 N ATOM 569 CA ARG A 36 -12.996 0.495 -9.149 1.00 0.00 C ATOM 570 C ARG A 36 -12.290 0.744 -7.819 1.00 0.00 C ATOM 571 O ARG A 36 -11.239 0.170 -7.548 1.00 0.00 O ATOM 572 CB ARG A 36 -13.961 -0.688 -8.985 1.00 0.00 C ATOM 573 CG ARG A 36 -15.044 -0.336 -7.956 1.00 0.00 C ATOM 574 CD ARG A 36 -16.085 -1.455 -7.912 1.00 0.00 C ATOM 575 NE ARG A 36 -15.477 -2.692 -7.437 1.00 0.00 N ATOM 576 CZ ARG A 36 -16.165 -3.830 -7.409 1.00 0.00 C ATOM 577 NH1 ARG A 36 -15.598 -4.925 -6.983 1.00 0.00 N ATOM 578 NH2 ARG A 36 -17.407 -3.850 -7.808 1.00 0.00 N ATOM 0 H ARG A 36 -11.050 0.164 -9.874 1.00 0.00 H new ATOM 0 HA ARG A 36 -13.554 1.385 -9.439 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.421 -0.929 -9.943 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.414 -1.574 -8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.596 -0.202 -6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.520 0.608 -8.221 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.907 -1.170 -7.256 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.508 -1.607 -8.905 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.507 -2.685 -7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.627 -4.909 -6.671 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.126 -5.798 -6.962 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.850 -2.993 -8.141 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.935 -4.722 -7.787 1.00 0.00 H new ATOM 592 N THR A 37 -12.888 1.588 -6.984 1.00 0.00 N ATOM 593 CA THR A 37 -12.317 1.892 -5.673 1.00 0.00 C ATOM 594 C THR A 37 -12.434 0.685 -4.745 1.00 0.00 C ATOM 595 O THR A 37 -13.475 0.026 -4.699 1.00 0.00 O ATOM 596 CB THR A 37 -13.045 3.088 -5.056 1.00 0.00 C ATOM 597 OG1 THR A 37 -12.976 4.194 -5.946 1.00 0.00 O ATOM 598 CG2 THR A 37 -12.398 3.461 -3.721 1.00 0.00 C ATOM 0 H THR A 37 -13.762 2.072 -7.188 1.00 0.00 H new ATOM 0 HA THR A 37 -11.262 2.134 -5.801 1.00 0.00 H new ATOM 0 HB THR A 37 -14.088 2.823 -4.883 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.444 4.960 -5.553 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.922 4.313 -3.288 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.458 2.613 -3.038 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.352 3.723 -3.884 1.00 0.00 H new ATOM 606 N PHE A 38 -11.355 0.395 -4.007 1.00 0.00 N ATOM 607 CA PHE A 38 -11.324 -0.744 -3.076 1.00 0.00 C ATOM 608 C PHE A 38 -11.332 -0.265 -1.627 1.00 0.00 C ATOM 609 O PHE A 38 -10.683 0.724 -1.284 1.00 0.00 O ATOM 610 CB PHE A 38 -10.058 -1.569 -3.323 1.00 0.00 C ATOM 611 CG PHE A 38 -10.112 -2.165 -4.716 1.00 0.00 C ATOM 612 CD1 PHE A 38 -9.426 -1.554 -5.775 1.00 0.00 C ATOM 613 CD2 PHE A 38 -10.856 -3.328 -4.945 1.00 0.00 C ATOM 614 CE1 PHE A 38 -9.483 -2.107 -7.060 1.00 0.00 C ATOM 615 CE2 PHE A 38 -10.913 -3.881 -6.230 1.00 0.00 C ATOM 616 CZ PHE A 38 -10.226 -3.271 -7.287 1.00 0.00 C ATOM 0 H PHE A 38 -10.489 0.934 -4.036 1.00 0.00 H new ATOM 0 HA PHE A 38 -12.212 -1.353 -3.248 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.174 -0.940 -3.218 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.975 -2.361 -2.579 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.853 -0.656 -5.599 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.386 -3.799 -4.130 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -8.954 -1.636 -7.875 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.487 -4.779 -6.406 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.270 -3.699 -8.278 1.00 0.00 H new ATOM 626 N ASP A 39 -12.067 -0.982 -0.781 1.00 0.00 N ATOM 627 CA ASP A 39 -12.152 -0.641 0.637 1.00 0.00 C ATOM 628 C ASP A 39 -10.850 -0.993 1.347 1.00 0.00 C ATOM 629 O ASP A 39 -10.452 -2.158 1.395 1.00 0.00 O ATOM 630 CB ASP A 39 -13.312 -1.397 1.288 1.00 0.00 C ATOM 631 CG ASP A 39 -13.117 -2.902 1.134 1.00 0.00 C ATOM 632 OD1 ASP A 39 -12.292 -3.295 0.325 1.00 0.00 O ATOM 633 OD2 ASP A 39 -13.796 -3.639 1.827 1.00 0.00 O ATOM 0 H ASP A 39 -12.611 -1.801 -1.052 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.325 0.432 0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.376 -1.138 2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.254 -1.097 0.829 1.00 0.00 H new ATOM 638 N LEU A 40 -10.180 0.025 1.890 1.00 0.00 N ATOM 639 CA LEU A 40 -8.907 -0.170 2.599 1.00 0.00 C ATOM 640 C LEU A 40 -8.895 0.630 3.892 1.00 0.00 C ATOM 641 O LEU A 40 -9.613 1.618 4.033 1.00 0.00 O ATOM 642 CB LEU A 40 -7.745 0.281 1.707 1.00 0.00 C ATOM 643 CG LEU A 40 -7.637 -0.631 0.466 1.00 0.00 C ATOM 644 CD1 LEU A 40 -6.604 -0.039 -0.501 1.00 0.00 C ATOM 645 CD2 LEU A 40 -7.220 -2.072 0.864 1.00 0.00 C ATOM 0 H LEU A 40 -10.495 0.994 1.854 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.796 -1.228 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.897 1.314 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.812 0.252 2.271 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.614 -0.685 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.521 -0.677 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.920 0.959 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.635 0.023 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.152 -2.691 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.251 -2.046 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.964 -2.492 1.541 1.00 0.00 H new ATOM 657 N ASP A 41 -8.075 0.186 4.841 1.00 0.00 N ATOM 658 CA ASP A 41 -7.970 0.859 6.134 1.00 0.00 C ATOM 659 C ASP A 41 -6.947 1.984 6.058 1.00 0.00 C ATOM 660 O ASP A 41 -6.123 2.030 5.145 1.00 0.00 O ATOM 661 CB ASP A 41 -7.533 -0.145 7.205 1.00 0.00 C ATOM 662 CG ASP A 41 -8.424 -1.381 7.148 1.00 0.00 C ATOM 663 OD1 ASP A 41 -9.569 -1.242 6.749 1.00 0.00 O ATOM 664 OD2 ASP A 41 -7.949 -2.446 7.500 1.00 0.00 O ATOM 0 H ASP A 41 -7.476 -0.633 4.741 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.944 1.274 6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.492 -0.428 7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.593 0.313 8.192 1.00 0.00 H new ATOM 669 N ASP A 42 -7.004 2.879 7.028 1.00 0.00 N ATOM 670 CA ASP A 42 -6.077 3.996 7.076 1.00 0.00 C ATOM 671 C ASP A 42 -4.645 3.481 7.191 1.00 0.00 C ATOM 672 O ASP A 42 -3.730 4.008 6.560 1.00 0.00 O ATOM 673 CB ASP A 42 -6.408 4.883 8.281 1.00 0.00 C ATOM 674 CG ASP A 42 -7.724 5.623 8.049 1.00 0.00 C ATOM 675 OD1 ASP A 42 -8.247 5.536 6.949 1.00 0.00 O ATOM 676 OD2 ASP A 42 -8.190 6.265 8.976 1.00 0.00 O ATOM 0 H ASP A 42 -7.680 2.855 7.791 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.170 4.579 6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.480 4.273 9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.604 5.600 8.445 1.00 0.00 H new ATOM 681 N ASN A 43 -4.464 2.451 8.008 1.00 0.00 N ATOM 682 CA ASN A 43 -3.146 1.870 8.215 1.00 0.00 C ATOM 683 C ASN A 43 -2.616 1.278 6.913 1.00 0.00 C ATOM 684 O ASN A 43 -1.427 1.375 6.619 1.00 0.00 O ATOM 685 CB ASN A 43 -3.218 0.779 9.288 1.00 0.00 C ATOM 686 CG ASN A 43 -3.549 1.393 10.647 1.00 0.00 C ATOM 687 OD1 ASN A 43 -3.598 2.692 10.776 1.00 0.00 O flip ATOM 688 ND2 ASN A 43 -3.779 0.669 11.614 1.00 0.00 N flip ATOM 0 H ASN A 43 -5.212 2.002 8.536 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.467 2.656 8.546 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.977 0.044 9.019 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.267 0.250 9.342 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.741 -0.345 11.512 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.008 1.083 12.518 1.00 0.00 H new ATOM 695 N ALA A 44 -3.502 0.659 6.140 1.00 0.00 N ATOM 696 CA ALA A 44 -3.099 0.049 4.879 1.00 0.00 C ATOM 697 C ALA A 44 -2.691 1.116 3.869 1.00 0.00 C ATOM 698 O ALA A 44 -1.714 0.947 3.140 1.00 0.00 O ATOM 699 CB ALA A 44 -4.258 -0.771 4.312 1.00 0.00 C ATOM 0 H ALA A 44 -4.493 0.567 6.361 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.244 -0.600 5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.955 -1.226 3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.532 -1.553 5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.115 -0.120 4.141 1.00 0.00 H new ATOM 705 N VAL A 45 -3.434 2.222 3.835 1.00 0.00 N ATOM 706 CA VAL A 45 -3.121 3.313 2.911 1.00 0.00 C ATOM 707 C VAL A 45 -1.993 4.170 3.470 1.00 0.00 C ATOM 708 O VAL A 45 -1.259 4.812 2.719 1.00 0.00 O ATOM 709 CB VAL A 45 -4.355 4.190 2.675 1.00 0.00 C ATOM 710 CG1 VAL A 45 -4.014 5.302 1.668 1.00 0.00 C ATOM 711 CG2 VAL A 45 -5.491 3.327 2.123 1.00 0.00 C ATOM 0 H VAL A 45 -4.247 2.386 4.428 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.808 2.875 1.963 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.666 4.642 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.893 5.924 1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.205 5.916 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.702 4.855 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.371 3.948 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.180 2.875 1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.733 2.542 2.840 1.00 0.00 H new ATOM 721 N ALA A 46 -1.860 4.182 4.793 1.00 0.00 N ATOM 722 CA ALA A 46 -0.816 4.971 5.430 1.00 0.00 C ATOM 723 C ALA A 46 0.550 4.563 4.886 1.00 0.00 C ATOM 724 O ALA A 46 1.413 5.405 4.643 1.00 0.00 O ATOM 725 CB ALA A 46 -0.855 4.769 6.946 1.00 0.00 C ATOM 0 H ALA A 46 -2.455 3.660 5.437 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.987 6.025 5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.070 5.364 7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.825 5.084 7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.698 3.715 7.177 1.00 0.00 H new ATOM 731 N VAL A 47 0.725 3.262 4.689 1.00 0.00 N ATOM 732 CA VAL A 47 1.977 2.729 4.164 1.00 0.00 C ATOM 733 C VAL A 47 2.255 3.294 2.773 1.00 0.00 C ATOM 734 O VAL A 47 3.371 3.719 2.475 1.00 0.00 O ATOM 735 CB VAL A 47 1.883 1.195 4.087 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.169 0.610 3.483 1.00 0.00 C ATOM 737 CG2 VAL A 47 1.664 0.623 5.494 1.00 0.00 C ATOM 0 H VAL A 47 0.016 2.556 4.885 1.00 0.00 H new ATOM 0 HA VAL A 47 2.792 3.018 4.828 1.00 0.00 H new ATOM 0 HB VAL A 47 1.042 0.924 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.087 -0.476 3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.313 1.008 2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.021 0.883 4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.597 -0.464 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.500 0.903 6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.739 1.022 5.909 1.00 0.00 H new ATOM 747 N LEU A 48 1.231 3.280 1.921 1.00 0.00 N ATOM 748 CA LEU A 48 1.371 3.775 0.554 1.00 0.00 C ATOM 749 C LEU A 48 1.384 5.300 0.534 1.00 0.00 C ATOM 750 O LEU A 48 1.791 5.913 -0.454 1.00 0.00 O ATOM 751 CB LEU A 48 0.214 3.259 -0.307 1.00 0.00 C ATOM 752 CG LEU A 48 0.064 1.738 -0.147 1.00 0.00 C ATOM 753 CD1 LEU A 48 -1.088 1.262 -1.039 1.00 0.00 C ATOM 754 CD2 LEU A 48 1.366 1.012 -0.547 1.00 0.00 C ATOM 0 H LEU A 48 0.300 2.933 2.152 1.00 0.00 H new ATOM 0 HA LEU A 48 2.316 3.412 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.713 3.755 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.393 3.505 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.145 1.507 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.206 0.183 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.010 1.759 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.868 1.505 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.235 -0.063 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.601 1.233 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.183 1.352 0.090 1.00 0.00 H new ATOM 766 N LYS A 49 0.944 5.910 1.631 1.00 0.00 N ATOM 767 CA LYS A 49 0.921 7.372 1.743 1.00 0.00 C ATOM 768 C LYS A 49 2.236 7.884 2.334 1.00 0.00 C ATOM 769 O LYS A 49 2.711 8.962 1.979 1.00 0.00 O ATOM 770 CB LYS A 49 -0.256 7.796 2.629 1.00 0.00 C ATOM 771 CG LYS A 49 -0.462 9.317 2.545 1.00 0.00 C ATOM 772 CD LYS A 49 -1.688 9.749 3.382 1.00 0.00 C ATOM 773 CE LYS A 49 -3.003 9.411 2.658 1.00 0.00 C ATOM 774 NZ LYS A 49 -4.136 10.068 3.371 1.00 0.00 N ATOM 0 H LYS A 49 0.598 5.419 2.456 1.00 0.00 H new ATOM 0 HA LYS A 49 0.801 7.804 0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.163 7.281 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.067 7.504 3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.430 9.830 2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.602 9.613 1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.664 9.250 4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.641 10.821 3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.961 9.752 1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.151 8.331 2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.984 10.047 2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.328 9.561 4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.887 11.055 3.583 1.00 0.00 H new ATOM 788 N LEU A 50 2.811 7.103 3.250 1.00 0.00 N ATOM 789 CA LEU A 50 4.063 7.486 3.902 1.00 0.00 C ATOM 790 C LEU A 50 5.240 7.414 2.928 1.00 0.00 C ATOM 791 O LEU A 50 6.191 8.186 3.040 1.00 0.00 O ATOM 792 CB LEU A 50 4.329 6.547 5.102 1.00 0.00 C ATOM 793 CG LEU A 50 5.392 7.159 6.064 1.00 0.00 C ATOM 794 CD1 LEU A 50 4.722 8.080 7.099 1.00 0.00 C ATOM 795 CD2 LEU A 50 6.131 6.038 6.815 1.00 0.00 C ATOM 0 H LEU A 50 2.432 6.207 3.555 1.00 0.00 H new ATOM 0 HA LEU A 50 3.967 8.516 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.400 6.372 5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.675 5.578 4.741 1.00 0.00 H new ATOM 0 HG LEU A 50 6.095 7.736 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.481 8.497 7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.205 8.890 6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.005 7.506 7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.872 6.475 7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.415 5.456 7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.630 5.387 6.097 1.00 0.00 H new ATOM 807 N VAL A 51 5.176 6.482 1.981 1.00 0.00 N ATOM 808 CA VAL A 51 6.252 6.325 1.004 1.00 0.00 C ATOM 809 C VAL A 51 6.249 7.485 0.009 1.00 0.00 C ATOM 810 O VAL A 51 5.256 7.729 -0.676 1.00 0.00 O ATOM 811 CB VAL A 51 6.108 4.979 0.266 1.00 0.00 C ATOM 812 CG1 VAL A 51 4.746 4.896 -0.441 1.00 0.00 C ATOM 813 CG2 VAL A 51 7.235 4.831 -0.766 1.00 0.00 C ATOM 0 H VAL A 51 4.400 5.830 1.869 1.00 0.00 H new ATOM 0 HA VAL A 51 7.205 6.333 1.533 1.00 0.00 H new ATOM 0 HB VAL A 51 6.174 4.172 0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.661 3.939 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.948 4.983 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.662 5.707 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.130 3.879 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.177 5.646 -1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.199 4.863 -0.259 1.00 0.00 H new ATOM 823 N ASP A 52 7.370 8.198 -0.061 1.00 0.00 N ATOM 824 CA ASP A 52 7.495 9.328 -0.978 1.00 0.00 C ATOM 825 C ASP A 52 7.551 8.835 -2.427 1.00 0.00 C ATOM 826 O ASP A 52 6.893 9.388 -3.307 1.00 0.00 O ATOM 827 CB ASP A 52 8.760 10.128 -0.642 1.00 0.00 C ATOM 828 CG ASP A 52 8.598 10.833 0.705 1.00 0.00 C ATOM 829 OD1 ASP A 52 7.480 10.895 1.192 1.00 0.00 O ATOM 830 OD2 ASP A 52 9.595 11.299 1.230 1.00 0.00 O ATOM 0 H ASP A 52 8.200 8.015 0.502 1.00 0.00 H new ATOM 0 HA ASP A 52 6.623 9.973 -0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.622 9.462 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.953 10.862 -1.424 1.00 0.00 H new ATOM 835 N GLY A 53 8.344 7.782 -2.662 1.00 0.00 N ATOM 836 CA GLY A 53 8.493 7.200 -4.006 1.00 0.00 C ATOM 837 C GLY A 53 8.642 5.687 -3.916 1.00 0.00 C ATOM 838 O GLY A 53 7.651 4.969 -3.791 1.00 0.00 O ATOM 0 H GLY A 53 8.893 7.314 -1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.625 7.451 -4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.365 7.629 -4.500 1.00 0.00 H new ATOM 842 N ARG A 54 9.889 5.199 -3.976 1.00 0.00 N ATOM 843 CA ARG A 54 10.158 3.757 -3.883 1.00 0.00 C ATOM 844 C ARG A 54 10.944 3.442 -2.613 1.00 0.00 C ATOM 845 O ARG A 54 12.153 3.671 -2.550 1.00 0.00 O ATOM 846 CB ARG A 54 10.976 3.337 -5.109 1.00 0.00 C ATOM 847 CG ARG A 54 10.120 3.491 -6.365 1.00 0.00 C ATOM 848 CD ARG A 54 10.920 3.043 -7.587 1.00 0.00 C ATOM 849 NE ARG A 54 12.040 3.947 -7.816 1.00 0.00 N ATOM 850 CZ ARG A 54 12.898 3.741 -8.810 1.00 0.00 C ATOM 851 NH1 ARG A 54 13.896 4.561 -8.987 1.00 0.00 N ATOM 852 NH2 ARG A 54 12.743 2.717 -9.606 1.00 0.00 N ATOM 0 H ARG A 54 10.722 5.777 -4.088 1.00 0.00 H new ATOM 0 HA ARG A 54 9.215 3.212 -3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.873 3.951 -5.189 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.305 2.303 -5.004 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.212 2.895 -6.274 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.810 4.529 -6.481 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.288 2.028 -7.438 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.275 3.022 -8.465 1.00 0.00 H new ATOM 0 HE ARG A 54 12.168 4.752 -7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.017 5.359 -8.363 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.556 4.405 -9.749 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.963 2.075 -9.465 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.402 2.560 -10.369 1.00 0.00 H new ATOM 866 N ASN A 55 10.251 2.884 -1.614 1.00 0.00 N ATOM 867 CA ASN A 55 10.872 2.488 -0.339 1.00 0.00 C ATOM 868 C ASN A 55 10.749 0.979 -0.141 1.00 0.00 C ATOM 869 O ASN A 55 9.674 0.411 -0.327 1.00 0.00 O ATOM 870 CB ASN A 55 10.214 3.235 0.828 1.00 0.00 C ATOM 871 CG ASN A 55 10.583 4.716 0.773 1.00 0.00 C ATOM 872 OD1 ASN A 55 11.551 5.091 0.111 1.00 0.00 O ATOM 873 ND2 ASN A 55 9.866 5.584 1.433 1.00 0.00 N ATOM 0 H ASN A 55 9.250 2.694 -1.663 1.00 0.00 H new ATOM 0 HA ASN A 55 11.929 2.752 -0.367 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.131 3.119 0.781 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.539 2.805 1.775 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.107 6.575 1.401 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.064 5.272 1.981 1.00 0.00 H new ATOM 880 N THR A 56 11.838 0.335 0.255 1.00 0.00 N ATOM 881 CA THR A 56 11.813 -1.108 0.488 1.00 0.00 C ATOM 882 C THR A 56 11.087 -1.404 1.795 1.00 0.00 C ATOM 883 O THR A 56 11.233 -0.668 2.770 1.00 0.00 O ATOM 884 CB THR A 56 13.242 -1.646 0.562 1.00 0.00 C ATOM 885 OG1 THR A 56 13.902 -1.075 1.685 1.00 0.00 O ATOM 886 CG2 THR A 56 13.993 -1.272 -0.717 1.00 0.00 C ATOM 0 H THR A 56 12.741 0.779 0.421 1.00 0.00 H new ATOM 0 HA THR A 56 11.289 -1.594 -0.335 1.00 0.00 H new ATOM 0 HB THR A 56 13.220 -2.731 0.665 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.818 -1.419 1.736 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.012 -1.655 -0.666 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.485 -1.707 -1.578 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.018 -0.187 -0.820 1.00 0.00 H new ATOM 894 N VAL A 57 10.298 -2.477 1.812 1.00 0.00 N ATOM 895 CA VAL A 57 9.544 -2.844 3.012 1.00 0.00 C ATOM 896 C VAL A 57 10.441 -2.802 4.247 1.00 0.00 C ATOM 897 O VAL A 57 10.030 -2.341 5.311 1.00 0.00 O ATOM 898 CB VAL A 57 8.962 -4.253 2.844 1.00 0.00 C ATOM 899 CG1 VAL A 57 8.078 -4.286 1.593 1.00 0.00 C ATOM 900 CG2 VAL A 57 10.103 -5.277 2.701 1.00 0.00 C ATOM 0 H VAL A 57 10.164 -3.103 1.018 1.00 0.00 H new ATOM 0 HA VAL A 57 8.734 -2.127 3.147 1.00 0.00 H new ATOM 0 HB VAL A 57 8.366 -4.507 3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.661 -5.285 1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.267 -3.566 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.676 -4.030 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.683 -6.276 2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.706 -5.030 1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.729 -5.251 3.593 1.00 0.00 H new ATOM 910 N SER A 58 11.671 -3.274 4.090 1.00 0.00 N ATOM 911 CA SER A 58 12.619 -3.272 5.193 1.00 0.00 C ATOM 912 C SER A 58 12.830 -1.851 5.707 1.00 0.00 C ATOM 913 O SER A 58 12.834 -1.614 6.911 1.00 0.00 O ATOM 914 CB SER A 58 13.954 -3.855 4.729 1.00 0.00 C ATOM 915 OG SER A 58 13.753 -5.194 4.295 1.00 0.00 O ATOM 0 H SER A 58 12.032 -3.660 3.217 1.00 0.00 H new ATOM 0 HA SER A 58 12.218 -3.884 6.001 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.364 -3.254 3.917 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.679 -3.829 5.543 1.00 0.00 H new ATOM 0 HG SER A 58 14.606 -5.572 3.995 1.00 0.00 H new ATOM 921 N GLN A 59 13.002 -0.909 4.781 1.00 0.00 N ATOM 922 CA GLN A 59 13.214 0.487 5.153 1.00 0.00 C ATOM 923 C GLN A 59 11.969 1.062 5.821 1.00 0.00 C ATOM 924 O GLN A 59 12.056 1.718 6.859 1.00 0.00 O ATOM 925 CB GLN A 59 13.552 1.311 3.904 1.00 0.00 C ATOM 926 CG GLN A 59 13.980 2.727 4.307 1.00 0.00 C ATOM 927 CD GLN A 59 14.291 3.547 3.060 1.00 0.00 C ATOM 928 OE1 GLN A 59 13.520 3.538 2.100 1.00 0.00 O ATOM 929 NE2 GLN A 59 15.386 4.255 3.013 1.00 0.00 N ATOM 0 H GLN A 59 12.999 -1.085 3.776 1.00 0.00 H new ATOM 0 HA GLN A 59 14.043 0.534 5.859 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.352 0.826 3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.685 1.358 3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.187 3.207 4.881 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.858 2.682 4.952 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.024 4.261 3.809 1.00 0.00 H new ATOM 0 HE22 GLN A 59 15.604 4.802 2.180 1.00 0.00 H new ATOM 938 N ILE A 60 10.813 0.818 5.213 1.00 0.00 N ATOM 939 CA ILE A 60 9.556 1.323 5.754 1.00 0.00 C ATOM 940 C ILE A 60 9.319 0.752 7.142 1.00 0.00 C ATOM 941 O ILE A 60 8.896 1.461 8.052 1.00 0.00 O ATOM 942 CB ILE A 60 8.380 0.954 4.836 1.00 0.00 C ATOM 943 CG1 ILE A 60 8.668 1.451 3.411 1.00 0.00 C ATOM 944 CG2 ILE A 60 7.099 1.621 5.361 1.00 0.00 C ATOM 945 CD1 ILE A 60 7.601 0.923 2.447 1.00 0.00 C ATOM 0 H ILE A 60 10.720 0.278 4.352 1.00 0.00 H new ATOM 0 HA ILE A 60 9.623 2.409 5.816 1.00 0.00 H new ATOM 0 HB ILE A 60 8.251 -0.128 4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.680 2.541 3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.655 1.116 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.262 1.362 4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.896 1.272 6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.230 2.703 5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.813 1.280 1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.610 -0.167 2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.620 1.280 2.760 1.00 0.00 H new ATOM 957 N ALA A 61 9.579 -0.540 7.294 1.00 0.00 N ATOM 958 CA ALA A 61 9.378 -1.205 8.574 1.00 0.00 C ATOM 959 C ALA A 61 10.111 -0.469 9.694 1.00 0.00 C ATOM 960 O ALA A 61 9.588 -0.330 10.799 1.00 0.00 O ATOM 961 CB ALA A 61 9.874 -2.649 8.489 1.00 0.00 C ATOM 0 H ALA A 61 9.928 -1.145 6.551 1.00 0.00 H new ATOM 0 HA ALA A 61 8.312 -1.198 8.802 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.722 -3.143 9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.319 -3.180 7.716 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.936 -2.655 8.242 1.00 0.00 H new ATOM 967 N GLN A 62 11.321 -0.003 9.405 1.00 0.00 N ATOM 968 CA GLN A 62 12.107 0.717 10.401 1.00 0.00 C ATOM 969 C GLN A 62 11.415 2.018 10.808 1.00 0.00 C ATOM 970 O GLN A 62 11.194 2.266 11.990 1.00 0.00 O ATOM 971 CB GLN A 62 13.495 1.042 9.829 1.00 0.00 C ATOM 972 CG GLN A 62 14.291 -0.249 9.603 1.00 0.00 C ATOM 973 CD GLN A 62 14.673 -0.880 10.936 1.00 0.00 C ATOM 974 OE1 GLN A 62 14.473 -2.153 11.120 1.00 0.00 O flip ATOM 975 NE2 GLN A 62 15.166 -0.194 11.832 1.00 0.00 N flip ATOM 0 H GLN A 62 11.776 -0.109 8.498 1.00 0.00 H new ATOM 0 HA GLN A 62 12.205 0.082 11.281 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.391 1.583 8.888 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.035 1.695 10.514 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.697 -0.952 9.018 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.190 -0.033 9.025 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.321 0.803 11.684 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.419 -0.623 12.722 1.00 0.00 H new ATOM 984 N ILE A 63 11.091 2.850 9.825 1.00 0.00 N ATOM 985 CA ILE A 63 10.445 4.129 10.105 1.00 0.00 C ATOM 986 C ILE A 63 9.052 3.920 10.697 1.00 0.00 C ATOM 987 O ILE A 63 8.694 4.537 11.701 1.00 0.00 O ATOM 988 CB ILE A 63 10.337 4.952 8.809 1.00 0.00 C ATOM 989 CG1 ILE A 63 11.742 5.150 8.208 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.711 6.323 9.116 1.00 0.00 C ATOM 991 CD1 ILE A 63 11.626 5.749 6.801 1.00 0.00 C ATOM 0 H ILE A 63 11.262 2.666 8.836 1.00 0.00 H new ATOM 0 HA ILE A 63 11.052 4.667 10.833 1.00 0.00 H new ATOM 0 HB ILE A 63 9.707 4.421 8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 63 12.331 5.809 8.846 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.267 4.196 8.165 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.636 6.903 8.196 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.716 6.182 9.538 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.337 6.857 9.831 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.622 5.887 6.381 1.00 0.00 H new ATOM 0 HD12 ILE A 63 11.054 5.074 6.164 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.119 6.712 6.856 1.00 0.00 H new ATOM 1003 N LEU A 64 8.267 3.062 10.059 1.00 0.00 N ATOM 1004 CA LEU A 64 6.908 2.787 10.513 1.00 0.00 C ATOM 1005 C LEU A 64 6.926 2.017 11.834 1.00 0.00 C ATOM 1006 O LEU A 64 6.089 2.239 12.704 1.00 0.00 O ATOM 1007 CB LEU A 64 6.151 1.994 9.438 1.00 0.00 C ATOM 1008 CG LEU A 64 4.643 1.926 9.773 1.00 0.00 C ATOM 1009 CD1 LEU A 64 3.989 3.336 9.702 1.00 0.00 C ATOM 1010 CD2 LEU A 64 3.952 0.983 8.774 1.00 0.00 C ATOM 0 H LEU A 64 8.547 2.544 9.226 1.00 0.00 H new ATOM 0 HA LEU A 64 6.395 3.734 10.681 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.292 2.464 8.465 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.559 0.986 9.367 1.00 0.00 H new ATOM 0 HG LEU A 64 4.525 1.550 10.789 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.929 3.258 9.942 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.475 3.999 10.418 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.104 3.740 8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.888 0.928 9.002 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.087 1.363 7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.391 -0.012 8.849 1.00 0.00 H new ATOM 1022 N GLY A 65 7.880 1.103 11.973 1.00 0.00 N ATOM 1023 CA GLY A 65 7.986 0.305 13.190 1.00 0.00 C ATOM 1024 C GLY A 65 8.106 1.199 14.419 1.00 0.00 C ATOM 1025 O GLY A 65 7.484 0.939 15.450 1.00 0.00 O ATOM 0 H GLY A 65 8.585 0.897 11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.110 -0.336 13.286 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.855 -0.350 13.126 1.00 0.00 H new ATOM 1029 N GLN A 66 8.902 2.254 14.303 1.00 0.00 N ATOM 1030 CA GLN A 66 9.090 3.183 15.412 1.00 0.00 C ATOM 1031 C GLN A 66 7.782 3.913 15.725 1.00 0.00 C ATOM 1032 O GLN A 66 7.525 4.274 16.874 1.00 0.00 O ATOM 1033 CB GLN A 66 10.181 4.204 15.060 1.00 0.00 C ATOM 1034 CG GLN A 66 11.545 3.510 15.006 1.00 0.00 C ATOM 1035 CD GLN A 66 12.608 4.494 14.530 1.00 0.00 C ATOM 1036 OE1 GLN A 66 12.544 4.978 13.399 1.00 0.00 O ATOM 1037 NE2 GLN A 66 13.586 4.822 15.328 1.00 0.00 N ATOM 0 H GLN A 66 9.425 2.488 13.459 1.00 0.00 H new ATOM 0 HA GLN A 66 9.396 2.617 16.292 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.961 4.668 14.099 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.198 5.002 15.802 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.807 3.126 15.992 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.501 2.654 14.332 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.637 4.420 16.264 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.300 5.480 15.016 1.00 0.00 H new ATOM 1046 N THR A 67 6.960 4.131 14.700 1.00 0.00 N ATOM 1047 CA THR A 67 5.688 4.825 14.890 1.00 0.00 C ATOM 1048 C THR A 67 4.778 4.030 15.825 1.00 0.00 C ATOM 1049 O THR A 67 4.191 4.586 16.754 1.00 0.00 O ATOM 1050 CB THR A 67 4.991 5.026 13.536 1.00 0.00 C ATOM 1051 OG1 THR A 67 5.913 5.584 12.612 1.00 0.00 O ATOM 1052 CG2 THR A 67 3.795 5.969 13.697 1.00 0.00 C ATOM 0 H THR A 67 7.149 3.841 13.740 1.00 0.00 H new ATOM 0 HA THR A 67 5.889 5.797 15.339 1.00 0.00 H new ATOM 0 HB THR A 67 4.637 4.063 13.168 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.472 5.712 11.746 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.307 6.106 12.732 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.086 5.540 14.405 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.140 6.934 14.069 1.00 0.00 H new ATOM 1060 N TYR A 68 4.672 2.723 15.578 1.00 0.00 N ATOM 1061 CA TYR A 68 3.836 1.844 16.405 1.00 0.00 C ATOM 1062 C TYR A 68 4.656 1.243 17.544 1.00 0.00 C ATOM 1063 O TYR A 68 4.140 0.466 18.347 1.00 0.00 O ATOM 1064 CB TYR A 68 3.247 0.719 15.542 1.00 0.00 C ATOM 1065 CG TYR A 68 2.234 1.297 14.574 1.00 0.00 C ATOM 1066 CD1 TYR A 68 2.653 1.815 13.343 1.00 0.00 C ATOM 1067 CD2 TYR A 68 0.872 1.320 14.913 1.00 0.00 C ATOM 1068 CE1 TYR A 68 1.715 2.354 12.456 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -0.064 1.858 14.022 1.00 0.00 C ATOM 1070 CZ TYR A 68 0.358 2.376 12.794 1.00 0.00 C ATOM 1071 OH TYR A 68 -0.563 2.910 11.916 1.00 0.00 O ATOM 0 H TYR A 68 5.153 2.248 14.814 1.00 0.00 H new ATOM 0 HA TYR A 68 3.025 2.436 16.830 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.042 0.214 14.993 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.772 -0.029 16.177 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.700 1.799 13.078 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.546 0.922 15.863 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.040 2.754 11.507 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.112 1.873 14.283 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.460 2.846 12.304 1.00 0.00 H new ATOM 1081 N ASP A 69 5.932 1.609 17.613 1.00 0.00 N ATOM 1082 CA ASP A 69 6.807 1.102 18.668 1.00 0.00 C ATOM 1083 C ASP A 69 6.749 -0.424 18.736 1.00 0.00 C ATOM 1084 O ASP A 69 6.493 -0.998 19.794 1.00 0.00 O ATOM 1085 CB ASP A 69 6.391 1.693 20.019 1.00 0.00 C ATOM 1086 CG ASP A 69 7.424 1.348 21.090 1.00 0.00 C ATOM 1087 OD1 ASP A 69 8.323 0.576 20.797 1.00 0.00 O ATOM 1088 OD2 ASP A 69 7.299 1.861 22.190 1.00 0.00 O ATOM 0 H ASP A 69 6.381 2.249 16.958 1.00 0.00 H new ATOM 0 HA ASP A 69 7.830 1.401 18.438 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.292 2.775 19.935 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.414 1.305 20.308 1.00 0.00 H new ATOM 1093 N ALA A 70 6.980 -1.075 17.594 1.00 0.00 N ATOM 1094 CA ALA A 70 6.950 -2.542 17.511 1.00 0.00 C ATOM 1095 C ALA A 70 8.078 -3.042 16.611 1.00 0.00 C ATOM 1096 O ALA A 70 8.660 -2.275 15.844 1.00 0.00 O ATOM 1097 CB ALA A 70 5.600 -2.998 16.954 1.00 0.00 C ATOM 0 H ALA A 70 7.191 -0.611 16.711 1.00 0.00 H new ATOM 0 HA ALA A 70 7.087 -2.957 18.510 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.580 -4.086 16.893 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.801 -2.657 17.612 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.456 -2.577 15.959 1.00 0.00 H new ATOM 1103 N ASP A 71 8.394 -4.328 16.726 1.00 0.00 N ATOM 1104 CA ASP A 71 9.469 -4.917 15.932 1.00 0.00 C ATOM 1105 C ASP A 71 9.218 -4.697 14.423 1.00 0.00 C ATOM 1106 O ASP A 71 8.096 -4.893 13.966 1.00 0.00 O ATOM 1107 CB ASP A 71 9.553 -6.422 16.220 1.00 0.00 C ATOM 1108 CG ASP A 71 10.037 -6.667 17.648 1.00 0.00 C ATOM 1109 OD1 ASP A 71 10.719 -5.806 18.182 1.00 0.00 O ATOM 1110 OD2 ASP A 71 9.719 -7.713 18.187 1.00 0.00 O ATOM 0 H ASP A 71 7.926 -4.979 17.356 1.00 0.00 H new ATOM 0 HA ASP A 71 10.407 -4.433 16.204 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.575 -6.881 16.078 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.233 -6.896 15.513 1.00 0.00 H new ATOM 1115 N PRO A 72 10.217 -4.294 13.646 1.00 0.00 N ATOM 1116 CA PRO A 72 10.046 -4.046 12.173 1.00 0.00 C ATOM 1117 C PRO A 72 9.790 -5.336 11.382 1.00 0.00 C ATOM 1118 O PRO A 72 9.137 -5.314 10.339 1.00 0.00 O ATOM 1119 CB PRO A 72 11.371 -3.378 11.755 1.00 0.00 C ATOM 1120 CG PRO A 72 12.368 -3.864 12.756 1.00 0.00 C ATOM 1121 CD PRO A 72 11.608 -4.041 14.071 1.00 0.00 C ATOM 0 HA PRO A 72 9.174 -3.427 11.964 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.656 -3.661 10.742 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.290 -2.291 11.771 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.813 -4.806 12.435 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.183 -3.149 12.871 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.005 -4.872 14.653 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.679 -3.151 14.696 1.00 0.00 H new ATOM 1129 N ALA A 73 10.320 -6.448 11.879 1.00 0.00 N ATOM 1130 CA ALA A 73 10.157 -7.736 11.206 1.00 0.00 C ATOM 1131 C ALA A 73 8.681 -8.050 10.984 1.00 0.00 C ATOM 1132 O ALA A 73 8.295 -8.596 9.952 1.00 0.00 O ATOM 1133 CB ALA A 73 10.794 -8.841 12.050 1.00 0.00 C ATOM 0 H ALA A 73 10.864 -6.486 12.741 1.00 0.00 H new ATOM 0 HA ALA A 73 10.650 -7.683 10.235 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.671 -9.800 11.546 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.856 -8.633 12.180 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.309 -8.879 13.026 1.00 0.00 H new ATOM 1139 N ILE A 74 7.862 -7.714 11.968 1.00 0.00 N ATOM 1140 CA ILE A 74 6.427 -7.959 11.889 1.00 0.00 C ATOM 1141 C ILE A 74 5.780 -7.017 10.876 1.00 0.00 C ATOM 1142 O ILE A 74 4.845 -7.395 10.170 1.00 0.00 O ATOM 1143 CB ILE A 74 5.779 -7.777 13.268 1.00 0.00 C ATOM 1144 CG1 ILE A 74 6.494 -8.682 14.284 1.00 0.00 C ATOM 1145 CG2 ILE A 74 4.294 -8.165 13.188 1.00 0.00 C ATOM 1146 CD1 ILE A 74 5.987 -8.382 15.697 1.00 0.00 C ATOM 0 H ILE A 74 8.166 -7.269 12.834 1.00 0.00 H new ATOM 0 HA ILE A 74 6.270 -8.986 11.560 1.00 0.00 H new ATOM 0 HB ILE A 74 5.864 -6.737 13.582 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.316 -9.729 14.039 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.571 -8.521 14.233 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.831 -8.037 14.166 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.790 -7.527 12.462 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.206 -9.207 12.879 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.498 -9.027 16.412 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.188 -7.339 15.942 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.914 -8.566 15.745 1.00 0.00 H new ATOM 1158 N ILE A 75 6.255 -5.777 10.849 1.00 0.00 N ATOM 1159 CA ILE A 75 5.687 -4.767 9.959 1.00 0.00 C ATOM 1160 C ILE A 75 5.824 -5.185 8.495 1.00 0.00 C ATOM 1161 O ILE A 75 4.870 -5.074 7.728 1.00 0.00 O ATOM 1162 CB ILE A 75 6.425 -3.438 10.149 1.00 0.00 C ATOM 1163 CG1 ILE A 75 6.486 -3.074 11.639 1.00 0.00 C ATOM 1164 CG2 ILE A 75 5.718 -2.324 9.360 1.00 0.00 C ATOM 1165 CD1 ILE A 75 5.104 -2.982 12.274 1.00 0.00 C ATOM 0 H ILE A 75 7.027 -5.447 11.428 1.00 0.00 H new ATOM 0 HA ILE A 75 4.631 -4.660 10.206 1.00 0.00 H new ATOM 0 HB ILE A 75 7.442 -3.544 9.773 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.077 -3.822 12.168 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.000 -2.120 11.756 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.250 -1.384 9.502 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.708 -2.579 8.300 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.694 -2.219 9.718 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.204 -2.722 13.328 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.520 -2.215 11.765 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.598 -3.943 12.184 1.00 0.00 H new ATOM 1177 N GLU A 76 7.011 -5.654 8.108 1.00 0.00 N ATOM 1178 CA GLU A 76 7.224 -6.066 6.724 1.00 0.00 C ATOM 1179 C GLU A 76 6.299 -7.234 6.388 1.00 0.00 C ATOM 1180 O GLU A 76 5.656 -7.250 5.339 1.00 0.00 O ATOM 1181 CB GLU A 76 8.702 -6.450 6.480 1.00 0.00 C ATOM 1182 CG GLU A 76 9.209 -7.393 7.575 1.00 0.00 C ATOM 1183 CD GLU A 76 10.664 -7.769 7.310 1.00 0.00 C ATOM 1184 OE1 GLU A 76 10.891 -8.607 6.452 1.00 0.00 O ATOM 1185 OE2 GLU A 76 11.529 -7.219 7.971 1.00 0.00 O ATOM 0 H GLU A 76 7.822 -5.756 8.719 1.00 0.00 H new ATOM 0 HA GLU A 76 6.990 -5.227 6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.801 -6.930 5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.317 -5.550 6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.121 -6.912 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.593 -8.292 7.606 1.00 0.00 H new ATOM 1192 N ALA A 77 6.237 -8.199 7.296 1.00 0.00 N ATOM 1193 CA ALA A 77 5.390 -9.371 7.117 1.00 0.00 C ATOM 1194 C ALA A 77 3.914 -8.986 7.118 1.00 0.00 C ATOM 1195 O ALA A 77 3.071 -9.749 6.651 1.00 0.00 O ATOM 1196 CB ALA A 77 5.659 -10.380 8.232 1.00 0.00 C ATOM 0 H ALA A 77 6.766 -8.193 8.168 1.00 0.00 H new ATOM 0 HA ALA A 77 5.628 -9.819 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.023 -11.254 8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.705 -10.684 8.203 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.441 -9.923 9.197 1.00 0.00 H new ATOM 1202 N ASP A 78 3.601 -7.813 7.672 1.00 0.00 N ATOM 1203 CA ASP A 78 2.214 -7.345 7.740 1.00 0.00 C ATOM 1204 C ASP A 78 1.764 -6.770 6.394 1.00 0.00 C ATOM 1205 O ASP A 78 0.703 -7.123 5.881 1.00 0.00 O ATOM 1206 CB ASP A 78 2.080 -6.277 8.832 1.00 0.00 C ATOM 1207 CG ASP A 78 0.612 -5.914 9.051 1.00 0.00 C ATOM 1208 OD1 ASP A 78 -0.218 -6.376 8.285 1.00 0.00 O ATOM 1209 OD2 ASP A 78 0.339 -5.180 9.988 1.00 0.00 O ATOM 0 H ASP A 78 4.284 -7.173 8.078 1.00 0.00 H new ATOM 0 HA ASP A 78 1.576 -8.195 7.981 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.512 -6.644 9.763 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.642 -5.387 8.549 1.00 0.00 H new ATOM 1214 N ILE A 79 2.577 -5.870 5.835 1.00 0.00 N ATOM 1215 CA ILE A 79 2.262 -5.235 4.548 1.00 0.00 C ATOM 1216 C ILE A 79 2.531 -6.183 3.374 1.00 0.00 C ATOM 1217 O ILE A 79 1.784 -6.190 2.396 1.00 0.00 O ATOM 1218 CB ILE A 79 3.065 -3.932 4.396 1.00 0.00 C ATOM 1219 CG1 ILE A 79 4.571 -4.237 4.425 1.00 0.00 C ATOM 1220 CG2 ILE A 79 2.705 -2.995 5.557 1.00 0.00 C ATOM 1221 CD1 ILE A 79 5.378 -2.938 4.307 1.00 0.00 C ATOM 0 H ILE A 79 3.457 -5.564 6.250 1.00 0.00 H new ATOM 0 HA ILE A 79 1.198 -4.998 4.535 1.00 0.00 H new ATOM 0 HB ILE A 79 2.822 -3.459 3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.828 -4.750 5.352 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.829 -4.909 3.607 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.267 -2.066 5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.637 -2.777 5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.954 -3.475 6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.443 -3.168 4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.133 -2.442 3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.132 -2.280 5.140 1.00 0.00 H new ATOM 1233 N LEU A 80 3.605 -6.976 3.466 1.00 0.00 N ATOM 1234 CA LEU A 80 3.960 -7.918 2.393 1.00 0.00 C ATOM 1235 C LEU A 80 2.708 -8.654 1.856 1.00 0.00 C ATOM 1236 O LEU A 80 2.394 -8.535 0.672 1.00 0.00 O ATOM 1237 CB LEU A 80 5.031 -8.932 2.897 1.00 0.00 C ATOM 1238 CG LEU A 80 6.481 -8.410 2.661 1.00 0.00 C ATOM 1239 CD1 LEU A 80 7.461 -9.190 3.559 1.00 0.00 C ATOM 1240 CD2 LEU A 80 6.907 -8.596 1.184 1.00 0.00 C ATOM 0 H LEU A 80 4.240 -6.986 4.264 1.00 0.00 H new ATOM 0 HA LEU A 80 4.385 -7.349 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.881 -9.120 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.900 -9.884 2.383 1.00 0.00 H new ATOM 0 HG LEU A 80 6.502 -7.348 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.475 -8.825 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.189 -9.046 4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.413 -10.251 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.922 -8.223 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.871 -9.654 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.228 -8.041 0.537 1.00 0.00 H new ATOM 1252 N PRO A 81 1.989 -9.398 2.675 1.00 0.00 N ATOM 1253 CA PRO A 81 0.765 -10.129 2.211 1.00 0.00 C ATOM 1254 C PRO A 81 -0.295 -9.161 1.672 1.00 0.00 C ATOM 1255 O PRO A 81 -1.052 -9.501 0.761 1.00 0.00 O ATOM 1256 CB PRO A 81 0.277 -10.874 3.482 1.00 0.00 C ATOM 1257 CG PRO A 81 0.867 -10.094 4.616 1.00 0.00 C ATOM 1258 CD PRO A 81 2.237 -9.636 4.108 1.00 0.00 C ATOM 0 HA PRO A 81 0.967 -10.809 1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.811 -10.896 3.537 1.00 0.00 H new ATOM 0 HB3 PRO A 81 0.617 -11.910 3.492 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.239 -9.243 4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 81 0.963 -10.709 5.511 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.576 -8.733 4.616 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.002 -10.396 4.266 1.00 0.00 H new ATOM 1266 N MET A 82 -0.346 -7.958 2.240 1.00 0.00 N ATOM 1267 CA MET A 82 -1.319 -6.959 1.804 1.00 0.00 C ATOM 1268 C MET A 82 -1.006 -6.496 0.382 1.00 0.00 C ATOM 1269 O MET A 82 -1.906 -6.348 -0.445 1.00 0.00 O ATOM 1270 CB MET A 82 -1.307 -5.754 2.761 1.00 0.00 C ATOM 1271 CG MET A 82 -2.501 -4.835 2.478 1.00 0.00 C ATOM 1272 SD MET A 82 -4.023 -5.655 3.021 1.00 0.00 S ATOM 1273 CE MET A 82 -5.009 -4.163 3.272 1.00 0.00 C ATOM 0 H MET A 82 0.268 -7.653 2.995 1.00 0.00 H new ATOM 0 HA MET A 82 -2.310 -7.413 1.816 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.344 -6.101 3.794 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.377 -5.198 2.645 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.378 -3.887 3.001 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.556 -4.607 1.414 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.068 -4.412 3.211 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.791 -3.744 4.254 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.764 -3.431 2.503 1.00 0.00 H new ATOM 1283 N LEU A 83 0.274 -6.264 0.114 1.00 0.00 N ATOM 1284 CA LEU A 83 0.702 -5.808 -1.204 1.00 0.00 C ATOM 1285 C LEU A 83 0.386 -6.862 -2.260 1.00 0.00 C ATOM 1286 O LEU A 83 -0.031 -6.534 -3.370 1.00 0.00 O ATOM 1287 CB LEU A 83 2.210 -5.516 -1.193 1.00 0.00 C ATOM 1288 CG LEU A 83 2.524 -4.319 -0.266 1.00 0.00 C ATOM 1289 CD1 LEU A 83 4.041 -4.255 -0.026 1.00 0.00 C ATOM 1290 CD2 LEU A 83 2.055 -2.985 -0.892 1.00 0.00 C ATOM 0 H LEU A 83 1.030 -6.383 0.788 1.00 0.00 H new ATOM 0 HA LEU A 83 0.161 -4.894 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.754 -6.398 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.552 -5.299 -2.205 1.00 0.00 H new ATOM 0 HG LEU A 83 1.991 -4.463 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.271 -3.413 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.374 -5.180 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.555 -4.126 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.290 -2.163 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.565 -2.830 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.979 -3.020 -1.059 1.00 0.00 H new ATOM 1302 N ALA A 84 0.588 -8.127 -1.907 1.00 0.00 N ATOM 1303 CA ALA A 84 0.317 -9.215 -2.837 1.00 0.00 C ATOM 1304 C ALA A 84 -1.157 -9.219 -3.225 1.00 0.00 C ATOM 1305 O ALA A 84 -1.504 -9.470 -4.379 1.00 0.00 O ATOM 1306 CB ALA A 84 0.686 -10.556 -2.198 1.00 0.00 C ATOM 0 H ALA A 84 0.935 -8.421 -0.994 1.00 0.00 H new ATOM 0 HA ALA A 84 0.920 -9.068 -3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.480 -11.363 -2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.746 -10.558 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.095 -10.703 -1.294 1.00 0.00 H new ATOM 1312 N GLY A 85 -2.020 -8.934 -2.254 1.00 0.00 N ATOM 1313 CA GLY A 85 -3.455 -8.900 -2.507 1.00 0.00 C ATOM 1314 C GLY A 85 -3.810 -7.767 -3.464 1.00 0.00 C ATOM 1315 O GLY A 85 -4.660 -7.921 -4.337 1.00 0.00 O ATOM 0 H GLY A 85 -1.753 -8.725 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.777 -9.852 -2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.991 -8.770 -1.567 1.00 0.00 H new ATOM 1319 N LEU A 86 -3.151 -6.625 -3.288 1.00 0.00 N ATOM 1320 CA LEU A 86 -3.400 -5.466 -4.139 1.00 0.00 C ATOM 1321 C LEU A 86 -2.914 -5.735 -5.561 1.00 0.00 C ATOM 1322 O LEU A 86 -3.553 -5.335 -6.529 1.00 0.00 O ATOM 1323 CB LEU A 86 -2.679 -4.235 -3.574 1.00 0.00 C ATOM 1324 CG LEU A 86 -3.290 -3.838 -2.214 1.00 0.00 C ATOM 1325 CD1 LEU A 86 -2.421 -2.744 -1.576 1.00 0.00 C ATOM 1326 CD2 LEU A 86 -4.749 -3.329 -2.376 1.00 0.00 C ATOM 0 H LEU A 86 -2.444 -6.478 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.473 -5.278 -4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.617 -4.449 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.760 -3.404 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.316 -4.719 -1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.845 -2.457 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.410 -3.123 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.390 -1.875 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.150 -3.058 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.759 -2.456 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.362 -4.116 -2.814 1.00 0.00 H new ATOM 1338 N ALA A 87 -1.776 -6.407 -5.682 1.00 0.00 N ATOM 1339 CA ALA A 87 -1.218 -6.707 -6.997 1.00 0.00 C ATOM 1340 C ALA A 87 -2.253 -7.404 -7.878 1.00 0.00 C ATOM 1341 O ALA A 87 -2.299 -7.187 -9.090 1.00 0.00 O ATOM 1342 CB ALA A 87 0.015 -7.600 -6.844 1.00 0.00 C ATOM 0 H ALA A 87 -1.225 -6.752 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.933 -5.769 -7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.428 -7.821 -7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.765 -7.085 -6.243 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.268 -8.530 -6.352 1.00 0.00 H new ATOM 1348 N GLN A 88 -3.083 -8.234 -7.259 1.00 0.00 N ATOM 1349 CA GLN A 88 -4.122 -8.957 -7.986 1.00 0.00 C ATOM 1350 C GLN A 88 -5.119 -7.986 -8.618 1.00 0.00 C ATOM 1351 O GLN A 88 -5.840 -8.344 -9.549 1.00 0.00 O ATOM 1352 CB GLN A 88 -4.860 -9.901 -7.032 1.00 0.00 C ATOM 1353 CG GLN A 88 -3.901 -10.989 -6.542 1.00 0.00 C ATOM 1354 CD GLN A 88 -4.606 -11.888 -5.533 1.00 0.00 C ATOM 1355 OE1 GLN A 88 -5.722 -12.346 -5.780 1.00 0.00 O ATOM 1356 NE2 GLN A 88 -4.021 -12.166 -4.400 1.00 0.00 N ATOM 0 H GLN A 88 -3.058 -8.424 -6.257 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.648 -9.534 -8.780 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.255 -9.342 -6.184 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.712 -10.354 -7.539 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.549 -11.582 -7.386 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.023 -10.533 -6.084 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.097 -11.786 -4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.488 -12.763 -3.718 1.00 0.00 H new ATOM 1365 N LYS A 89 -5.162 -6.757 -8.099 1.00 0.00 N ATOM 1366 CA LYS A 89 -6.084 -5.733 -8.607 1.00 0.00 C ATOM 1367 C LYS A 89 -5.394 -4.878 -9.667 1.00 0.00 C ATOM 1368 O LYS A 89 -5.995 -3.962 -10.229 1.00 0.00 O ATOM 1369 CB LYS A 89 -6.543 -4.836 -7.455 1.00 0.00 C ATOM 1370 CG LYS A 89 -7.305 -5.674 -6.427 1.00 0.00 C ATOM 1371 CD LYS A 89 -7.670 -4.796 -5.228 1.00 0.00 C ATOM 1372 CE LYS A 89 -8.376 -5.645 -4.169 1.00 0.00 C ATOM 1373 NZ LYS A 89 -9.691 -6.100 -4.700 1.00 0.00 N ATOM 0 H LYS A 89 -4.571 -6.445 -7.328 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.946 -6.229 -9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.682 -4.360 -6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.181 -4.038 -7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.207 -6.089 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.694 -6.516 -6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.771 -4.345 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.318 -3.979 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.760 -6.505 -3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.520 -5.065 -3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.231 -6.561 -3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.224 -5.281 -5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.537 -6.776 -5.475 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.127 -5.190 -9.934 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.355 -4.453 -10.932 1.00 0.00 C ATOM 1389 C ARG A 90 -3.269 -2.976 -10.561 1.00 0.00 C ATOM 1390 O ARG A 90 -3.834 -2.124 -11.245 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.004 -4.602 -12.322 1.00 0.00 C ATOM 1392 CG ARG A 90 -3.018 -4.150 -13.438 1.00 0.00 C ATOM 1393 CD ARG A 90 -2.171 -5.340 -13.912 1.00 0.00 C ATOM 1394 NE ARG A 90 -3.034 -6.326 -14.555 1.00 0.00 N ATOM 1395 CZ ARG A 90 -2.607 -7.555 -14.826 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -3.410 -8.405 -15.404 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -1.392 -7.915 -14.512 1.00 0.00 N ATOM 0 H ARG A 90 -3.616 -5.944 -9.476 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.347 -4.867 -10.959 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.294 -5.640 -12.484 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.915 -4.005 -12.370 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.574 -3.733 -14.278 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.369 -3.359 -13.061 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.406 -5.000 -14.610 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.653 -5.791 -13.066 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.989 -6.065 -14.803 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.361 -8.125 -15.646 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.087 -9.349 -15.614 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.765 -7.252 -14.056 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.070 -8.860 -14.722 1.00 0.00 H new ATOM 1411 N VAL A 91 -2.564 -2.680 -9.470 1.00 0.00 N ATOM 1412 CA VAL A 91 -2.407 -1.299 -8.998 1.00 0.00 C ATOM 1413 C VAL A 91 -0.980 -1.061 -8.507 1.00 0.00 C ATOM 1414 O VAL A 91 -0.677 -0.004 -7.957 1.00 0.00 O ATOM 1415 CB VAL A 91 -3.402 -1.029 -7.860 1.00 0.00 C ATOM 1416 CG1 VAL A 91 -4.822 -0.901 -8.421 1.00 0.00 C ATOM 1417 CG2 VAL A 91 -3.365 -2.191 -6.865 1.00 0.00 C ATOM 0 H VAL A 91 -2.091 -3.376 -8.894 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.607 -0.618 -9.826 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.124 -0.100 -7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.520 -0.710 -7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.859 -0.075 -9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.099 -1.827 -8.925 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.071 -2.000 -6.057 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.638 -3.115 -7.375 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.360 -2.286 -6.454 1.00 0.00 H new ATOM 1427 N LEU A 92 -0.111 -2.052 -8.708 1.00 0.00 N ATOM 1428 CA LEU A 92 1.293 -1.949 -8.287 1.00 0.00 C ATOM 1429 C LEU A 92 2.211 -2.514 -9.359 1.00 0.00 C ATOM 1430 O LEU A 92 1.910 -3.533 -9.979 1.00 0.00 O ATOM 1431 CB LEU A 92 1.509 -2.720 -6.974 1.00 0.00 C ATOM 1432 CG LEU A 92 0.863 -1.972 -5.791 1.00 0.00 C ATOM 1433 CD1 LEU A 92 0.864 -2.896 -4.566 1.00 0.00 C ATOM 1434 CD2 LEU A 92 1.636 -0.667 -5.460 1.00 0.00 C ATOM 0 H LEU A 92 -0.351 -2.935 -9.159 1.00 0.00 H new ATOM 0 HA LEU A 92 1.529 -0.896 -8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.080 -3.718 -7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.576 -2.846 -6.792 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.156 -1.698 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.410 -2.380 -3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.294 -3.798 -4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.890 -3.168 -4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.156 -0.162 -4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.665 -0.911 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.631 -0.010 -6.330 1.00 0.00 H new ATOM 1446 N GLU A 93 3.348 -1.849 -9.553 1.00 0.00 N ATOM 1447 CA GLU A 93 4.336 -2.291 -10.532 1.00 0.00 C ATOM 1448 C GLU A 93 5.738 -1.850 -10.104 1.00 0.00 C ATOM 1449 O GLU A 93 6.052 -0.662 -10.081 1.00 0.00 O ATOM 1450 CB GLU A 93 3.993 -1.719 -11.921 1.00 0.00 C ATOM 1451 CG GLU A 93 3.515 -0.268 -11.786 1.00 0.00 C ATOM 1452 CD GLU A 93 3.331 0.348 -13.170 1.00 0.00 C ATOM 1453 OE1 GLU A 93 4.329 0.702 -13.777 1.00 0.00 O ATOM 1454 OE2 GLU A 93 2.195 0.459 -13.601 1.00 0.00 O ATOM 0 H GLU A 93 3.607 -1.003 -9.045 1.00 0.00 H new ATOM 0 HA GLU A 93 4.318 -3.379 -10.587 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.869 -1.764 -12.568 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.218 -2.324 -12.391 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.575 -0.235 -11.236 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.240 0.311 -11.214 1.00 0.00 H new ATOM 1461 N ARG A 94 6.579 -2.820 -9.772 1.00 0.00 N ATOM 1462 CA ARG A 94 7.943 -2.516 -9.359 1.00 0.00 C ATOM 1463 C ARG A 94 8.724 -1.898 -10.518 1.00 0.00 C ATOM 1464 O ARG A 94 9.424 -0.927 -10.283 1.00 0.00 O ATOM 1465 CB ARG A 94 8.645 -3.790 -8.883 1.00 0.00 C ATOM 1466 CG ARG A 94 7.996 -4.288 -7.589 1.00 0.00 C ATOM 1467 CD ARG A 94 8.679 -5.582 -7.139 1.00 0.00 C ATOM 1468 NE ARG A 94 8.391 -6.660 -8.078 1.00 0.00 N ATOM 1469 CZ ARG A 94 8.885 -7.882 -7.895 1.00 0.00 C ATOM 1470 NH1 ARG A 94 8.614 -8.830 -8.750 1.00 0.00 N ATOM 1471 NH2 ARG A 94 9.639 -8.134 -6.859 1.00 0.00 N ATOM 1472 OXT ARG A 94 8.610 -2.407 -11.621 1.00 0.00 O ATOM 0 H ARG A 94 6.345 -3.813 -9.780 1.00 0.00 H new ATOM 0 HA ARG A 94 7.905 -1.801 -8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.582 -4.560 -9.652 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.704 -3.592 -8.717 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.083 -3.529 -6.811 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.932 -4.462 -7.747 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.756 -5.428 -7.071 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.333 -5.856 -6.143 1.00 0.00 H new ATOM 0 HE ARG A 94 7.801 -6.474 -8.889 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.024 -8.634 -9.558 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.993 -9.767 -8.610 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.850 -7.394 -6.189 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.017 -9.071 -6.719 1.00 0.00 H new TER 1486 ARG A 94