USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 654 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.33 K(o=-1.3,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.63) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -138:sc= 0 (180deg=-0.0239) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -145:sc= -2.91! (180deg=-4.65!) USER MOD Single : A 38 SER OG : rot 180:sc= -3.47! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0583 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.62) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 178:sc= -0.407 (180deg=-0.42) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.075 K(o=-0.075,f=-1.2) USER MOD Single : A 86 MET CE :methyl -174:sc= -7.01! (180deg=-7.09!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -20.835 -2.720 -15.713 1.00 0.00 N ATOM 2 CA ALA A 1 -21.474 -1.994 -14.596 1.00 0.00 C ATOM 3 C ALA A 1 -20.493 -1.908 -13.395 1.00 0.00 C ATOM 4 O ALA A 1 -20.836 -2.291 -12.270 1.00 0.00 O ATOM 5 CB ALA A 1 -22.795 -2.685 -14.209 1.00 0.00 C ATOM 0 H1 ALA A 1 -21.496 -2.775 -16.514 1.00 0.00 H new ATOM 0 H2 ALA A 1 -19.974 -2.216 -16.008 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.585 -3.681 -15.404 1.00 0.00 H new ATOM 0 HA ALA A 1 -21.712 -0.976 -14.905 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -23.261 -2.144 -13.385 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -23.468 -2.689 -15.066 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -22.592 -3.711 -13.901 1.00 0.00 H new ATOM 13 N SER A 2 -19.273 -1.404 -13.657 1.00 0.00 N ATOM 14 CA SER A 2 -18.225 -1.231 -12.616 1.00 0.00 C ATOM 15 C SER A 2 -18.026 0.279 -12.315 1.00 0.00 C ATOM 16 O SER A 2 -17.087 0.906 -12.820 1.00 0.00 O ATOM 17 CB SER A 2 -16.919 -1.915 -13.082 1.00 0.00 C ATOM 18 OG SER A 2 -17.179 -2.926 -14.052 1.00 0.00 O ATOM 0 H SER A 2 -18.980 -1.105 -14.587 1.00 0.00 H new ATOM 0 HA SER A 2 -18.534 -1.708 -11.686 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.246 -1.168 -13.504 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.410 -2.354 -12.224 1.00 0.00 H new ATOM 0 HG SER A 2 -16.334 -3.339 -14.329 1.00 0.00 H new ATOM 24 N MET A 3 -18.920 0.844 -11.482 1.00 0.00 N ATOM 25 CA MET A 3 -18.869 2.275 -11.083 1.00 0.00 C ATOM 26 C MET A 3 -17.985 2.423 -9.815 1.00 0.00 C ATOM 27 O MET A 3 -18.451 2.199 -8.691 1.00 0.00 O ATOM 28 CB MET A 3 -20.311 2.811 -10.865 1.00 0.00 C ATOM 29 CG MET A 3 -20.782 3.887 -11.863 1.00 0.00 C ATOM 30 SD MET A 3 -21.608 3.133 -13.284 1.00 0.00 S ATOM 31 CE MET A 3 -20.222 2.837 -14.399 1.00 0.00 C ATOM 0 H MET A 3 -19.696 0.330 -11.065 1.00 0.00 H new ATOM 0 HA MET A 3 -18.418 2.875 -11.873 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.003 1.970 -10.913 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.378 3.222 -9.858 1.00 0.00 H new ATOM 0 HG2 MET A 3 -21.464 4.577 -11.365 1.00 0.00 H new ATOM 0 HG3 MET A 3 -19.928 4.472 -12.203 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.586 2.375 -15.317 1.00 0.00 H new ATOM 0 HE2 MET A 3 -19.738 3.784 -14.637 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.504 2.173 -13.918 1.00 0.00 H new ATOM 41 N THR A 4 -16.718 2.831 -10.016 1.00 0.00 N ATOM 42 CA THR A 4 -15.731 2.998 -8.916 1.00 0.00 C ATOM 43 C THR A 4 -14.779 4.186 -9.221 1.00 0.00 C ATOM 44 O THR A 4 -14.235 4.287 -10.329 1.00 0.00 O ATOM 45 CB THR A 4 -15.009 1.651 -8.602 1.00 0.00 C ATOM 46 OG1 THR A 4 -14.356 1.751 -7.340 1.00 0.00 O ATOM 47 CG2 THR A 4 -13.979 1.136 -9.629 1.00 0.00 C ATOM 0 H THR A 4 -16.344 3.055 -10.938 1.00 0.00 H new ATOM 0 HA THR A 4 -16.248 3.262 -7.994 1.00 0.00 H new ATOM 0 HB THR A 4 -15.817 0.920 -8.625 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.903 0.906 -7.138 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.558 0.193 -9.281 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.470 0.981 -10.590 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.181 1.869 -9.743 1.00 0.00 H new ATOM 55 N ASP A 5 -14.611 5.093 -8.242 1.00 0.00 N ATOM 56 CA ASP A 5 -13.674 6.243 -8.329 1.00 0.00 C ATOM 57 C ASP A 5 -12.270 5.795 -7.832 1.00 0.00 C ATOM 58 O ASP A 5 -11.686 6.415 -6.929 1.00 0.00 O ATOM 59 CB ASP A 5 -14.209 7.475 -7.541 1.00 0.00 C ATOM 60 CG ASP A 5 -15.736 7.662 -7.536 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.412 7.103 -6.645 1.00 0.00 O ATOM 62 OD2 ASP A 5 -16.262 8.363 -8.429 1.00 0.00 O ATOM 0 H ASP A 5 -15.122 5.054 -7.360 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.590 6.561 -9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.869 7.396 -6.508 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.754 8.373 -7.958 1.00 0.00 H new ATOM 67 N GLN A 6 -11.745 4.701 -8.412 1.00 0.00 N ATOM 68 CA GLN A 6 -10.380 4.186 -8.127 1.00 0.00 C ATOM 69 C GLN A 6 -9.375 4.883 -9.085 1.00 0.00 C ATOM 70 O GLN A 6 -8.536 4.217 -9.710 1.00 0.00 O ATOM 71 CB GLN A 6 -10.352 2.637 -8.272 1.00 0.00 C ATOM 72 CG GLN A 6 -9.775 1.848 -7.070 1.00 0.00 C ATOM 73 CD GLN A 6 -9.146 0.493 -7.440 1.00 0.00 C ATOM 74 OE1 GLN A 6 -9.656 -0.567 -7.081 1.00 0.00 O ATOM 75 NE2 GLN A 6 -8.036 0.496 -8.164 1.00 0.00 N ATOM 0 H GLN A 6 -12.253 4.141 -9.097 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.092 4.414 -7.101 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.370 2.291 -8.452 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.769 2.386 -9.158 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.021 2.462 -6.577 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.572 1.679 -6.346 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.621 1.380 -8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.597 -0.386 -8.428 1.00 0.00 H new ATOM 84 N GLN A 7 -9.445 6.225 -9.172 1.00 0.00 N ATOM 85 CA GLN A 7 -8.600 7.030 -10.094 1.00 0.00 C ATOM 86 C GLN A 7 -8.840 8.536 -9.798 1.00 0.00 C ATOM 87 O GLN A 7 -7.902 9.342 -9.826 1.00 0.00 O ATOM 88 CB GLN A 7 -8.931 6.725 -11.583 1.00 0.00 C ATOM 89 CG GLN A 7 -10.141 5.796 -11.833 1.00 0.00 C ATOM 90 CD GLN A 7 -11.425 6.577 -12.161 1.00 0.00 C ATOM 91 OE1 GLN A 7 -12.473 6.367 -11.550 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.375 7.491 -13.118 1.00 0.00 N ATOM 0 H GLN A 7 -10.085 6.786 -8.610 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.554 6.770 -9.930 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.112 7.670 -12.095 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.052 6.276 -12.045 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.911 5.119 -12.656 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.310 5.179 -10.950 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.502 7.658 -13.619 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.209 8.028 -13.354 1.00 0.00 H new ATOM 101 N ALA A 8 -10.106 8.899 -9.518 1.00 0.00 N ATOM 102 CA ALA A 8 -10.499 10.302 -9.215 1.00 0.00 C ATOM 103 C ALA A 8 -10.039 10.688 -7.783 1.00 0.00 C ATOM 104 O ALA A 8 -9.676 11.842 -7.526 1.00 0.00 O ATOM 105 CB ALA A 8 -12.023 10.446 -9.389 1.00 0.00 C ATOM 0 H ALA A 8 -10.884 8.240 -9.494 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.009 10.988 -9.906 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.319 11.472 -9.169 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.297 10.202 -10.415 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.533 9.767 -8.706 1.00 0.00 H new ATOM 111 N GLU A 9 -10.061 9.704 -6.864 1.00 0.00 N ATOM 112 CA GLU A 9 -9.744 9.920 -5.427 1.00 0.00 C ATOM 113 C GLU A 9 -8.229 10.231 -5.279 1.00 0.00 C ATOM 114 O GLU A 9 -7.843 11.172 -4.575 1.00 0.00 O ATOM 115 CB GLU A 9 -10.170 8.705 -4.553 1.00 0.00 C ATOM 116 CG GLU A 9 -9.284 7.441 -4.651 1.00 0.00 C ATOM 117 CD GLU A 9 -9.916 6.212 -3.992 1.00 0.00 C ATOM 118 OE1 GLU A 9 -10.716 6.377 -3.045 1.00 0.00 O ATOM 119 OE2 GLU A 9 -9.618 5.075 -4.420 1.00 0.00 O ATOM 0 H GLU A 9 -10.297 8.738 -7.089 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.318 10.773 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.194 9.025 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.189 8.430 -4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.088 7.223 -5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.321 7.642 -4.182 1.00 0.00 H new ATOM 126 N ALA A 10 -7.383 9.409 -5.927 1.00 0.00 N ATOM 127 CA ALA A 10 -5.904 9.502 -5.799 1.00 0.00 C ATOM 128 C ALA A 10 -5.382 10.772 -6.525 1.00 0.00 C ATOM 129 O ALA A 10 -4.373 11.360 -6.121 1.00 0.00 O ATOM 130 CB ALA A 10 -5.269 8.216 -6.363 1.00 0.00 C ATOM 0 H ALA A 10 -7.695 8.665 -6.551 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.623 9.593 -4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.184 8.276 -6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.633 7.355 -5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.540 8.106 -7.413 1.00 0.00 H new ATOM 136 N ARG A 11 -6.071 11.158 -7.616 1.00 0.00 N ATOM 137 CA ARG A 11 -5.650 12.283 -8.493 1.00 0.00 C ATOM 138 C ARG A 11 -5.903 13.611 -7.729 1.00 0.00 C ATOM 139 O ARG A 11 -5.057 14.512 -7.733 1.00 0.00 O ATOM 140 CB ARG A 11 -6.426 12.247 -9.841 1.00 0.00 C ATOM 141 CG ARG A 11 -7.109 13.575 -10.241 1.00 0.00 C ATOM 142 CD ARG A 11 -7.477 13.627 -11.736 1.00 0.00 C ATOM 143 NE ARG A 11 -8.611 14.551 -11.993 1.00 0.00 N ATOM 144 CZ ARG A 11 -9.739 14.215 -12.651 1.00 0.00 C ATOM 145 NH1 ARG A 11 -9.735 13.267 -13.577 1.00 0.00 N ATOM 146 NH2 ARG A 11 -10.882 14.846 -12.415 1.00 0.00 N ATOM 0 H ARG A 11 -6.933 10.705 -7.919 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.590 12.198 -8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.734 11.959 -10.633 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.187 11.468 -9.784 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.011 13.709 -9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.444 14.406 -10.005 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.609 13.947 -12.313 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.738 12.627 -12.081 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.531 15.507 -11.647 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.869 12.778 -13.802 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.598 13.026 -14.064 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.917 15.598 -11.727 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.726 14.579 -12.922 1.00 0.00 H new ATOM 160 N ALA A 12 -7.082 13.714 -7.087 1.00 0.00 N ATOM 161 CA ALA A 12 -7.520 14.952 -6.390 1.00 0.00 C ATOM 162 C ALA A 12 -6.717 15.130 -5.072 1.00 0.00 C ATOM 163 O ALA A 12 -6.469 16.259 -4.631 1.00 0.00 O ATOM 164 CB ALA A 12 -9.039 14.881 -6.132 1.00 0.00 C ATOM 0 H ALA A 12 -7.757 12.952 -7.033 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.322 15.824 -7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.364 15.787 -5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.566 14.792 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.262 14.014 -5.510 1.00 0.00 H new ATOM 170 N PHE A 13 -6.303 14.001 -4.467 1.00 0.00 N ATOM 171 CA PHE A 13 -5.508 13.999 -3.210 1.00 0.00 C ATOM 172 C PHE A 13 -4.075 14.521 -3.502 1.00 0.00 C ATOM 173 O PHE A 13 -3.532 15.333 -2.744 1.00 0.00 O ATOM 174 CB PHE A 13 -5.528 12.567 -2.601 1.00 0.00 C ATOM 175 CG PHE A 13 -4.868 12.435 -1.214 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.971 13.409 -0.760 1.00 0.00 C ATOM 177 CD2 PHE A 13 -5.155 11.335 -0.397 1.00 0.00 C ATOM 178 CE1 PHE A 13 -3.377 13.287 0.494 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.559 11.215 0.856 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.673 12.192 1.302 1.00 0.00 C ATOM 0 H PHE A 13 -6.505 13.068 -4.827 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.941 14.671 -2.469 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.564 12.236 -2.526 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.026 11.889 -3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.738 14.259 -1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.842 10.576 -0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.687 14.042 0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.784 10.364 1.482 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.215 12.101 2.276 1.00 0.00 H new ATOM 190 N LEU A 14 -3.485 14.045 -4.614 1.00 0.00 N ATOM 191 CA LEU A 14 -2.083 14.364 -4.994 1.00 0.00 C ATOM 192 C LEU A 14 -2.106 15.642 -5.875 1.00 0.00 C ATOM 193 O LEU A 14 -3.178 16.156 -6.216 1.00 0.00 O ATOM 194 CB LEU A 14 -1.418 13.163 -5.732 1.00 0.00 C ATOM 195 CG LEU A 14 -1.528 11.761 -5.065 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.470 10.611 -6.091 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.436 11.565 -3.995 1.00 0.00 C ATOM 0 H LEU A 14 -3.958 13.431 -5.276 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.481 14.547 -4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.855 13.097 -6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.360 13.392 -5.862 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.507 11.728 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.551 9.656 -5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.294 10.711 -6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.524 10.652 -6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.539 10.577 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.547 11.653 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.543 12.326 -3.222 1.00 0.00 H new ATOM 209 N SER A 15 -0.908 16.126 -6.253 1.00 0.00 N ATOM 210 CA SER A 15 -0.751 17.303 -7.148 1.00 0.00 C ATOM 211 C SER A 15 -0.004 16.882 -8.443 1.00 0.00 C ATOM 212 O SER A 15 0.333 15.706 -8.625 1.00 0.00 O ATOM 213 CB SER A 15 -0.020 18.433 -6.388 1.00 0.00 C ATOM 214 OG SER A 15 -0.435 18.498 -5.027 1.00 0.00 O ATOM 0 H SER A 15 -0.022 15.719 -5.952 1.00 0.00 H new ATOM 0 HA SER A 15 -1.727 17.685 -7.447 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.056 18.267 -6.434 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.217 19.388 -6.876 1.00 0.00 H new ATOM 0 HG SER A 15 0.046 19.221 -4.573 1.00 0.00 H new ATOM 220 N GLU A 16 0.245 17.861 -9.333 1.00 0.00 N ATOM 221 CA GLU A 16 0.949 17.629 -10.622 1.00 0.00 C ATOM 222 C GLU A 16 2.456 17.391 -10.328 1.00 0.00 C ATOM 223 O GLU A 16 3.105 16.573 -10.991 1.00 0.00 O ATOM 224 CB GLU A 16 0.685 18.810 -11.601 1.00 0.00 C ATOM 225 CG GLU A 16 0.941 18.533 -13.101 1.00 0.00 C ATOM 226 CD GLU A 16 0.378 17.198 -13.598 1.00 0.00 C ATOM 227 OE1 GLU A 16 -0.724 16.804 -13.156 1.00 0.00 O ATOM 228 OE2 GLU A 16 1.033 16.538 -14.435 1.00 0.00 O ATOM 0 H GLU A 16 -0.032 18.832 -9.186 1.00 0.00 H new ATOM 0 HA GLU A 16 0.567 16.739 -11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.352 19.125 -11.484 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.309 19.651 -11.298 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.503 19.340 -13.688 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.015 18.552 -13.284 1.00 0.00 H new ATOM 235 N GLU A 17 2.988 18.121 -9.326 1.00 0.00 N ATOM 236 CA GLU A 17 4.438 18.092 -8.989 1.00 0.00 C ATOM 237 C GLU A 17 4.719 16.807 -8.164 1.00 0.00 C ATOM 238 O GLU A 17 5.765 16.167 -8.329 1.00 0.00 O ATOM 239 CB GLU A 17 4.868 19.401 -8.263 1.00 0.00 C ATOM 240 CG GLU A 17 6.179 19.338 -7.444 1.00 0.00 C ATOM 241 CD GLU A 17 6.320 20.448 -6.398 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.772 20.301 -5.282 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.980 21.470 -6.685 1.00 0.00 O ATOM 0 H GLU A 17 2.439 18.741 -8.731 1.00 0.00 H new ATOM 0 HA GLU A 17 5.044 18.054 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.970 20.188 -9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.062 19.700 -7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.235 18.372 -6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.025 19.390 -8.129 1.00 0.00 H new ATOM 250 N MET A 18 3.771 16.443 -7.281 1.00 0.00 N ATOM 251 CA MET A 18 3.907 15.267 -6.381 1.00 0.00 C ATOM 252 C MET A 18 3.866 13.988 -7.261 1.00 0.00 C ATOM 253 O MET A 18 4.585 13.017 -6.995 1.00 0.00 O ATOM 254 CB MET A 18 2.809 15.262 -5.281 1.00 0.00 C ATOM 255 CG MET A 18 3.050 16.206 -4.087 1.00 0.00 C ATOM 256 SD MET A 18 4.048 15.375 -2.831 1.00 0.00 S ATOM 257 CE MET A 18 2.803 14.365 -2.002 1.00 0.00 C ATOM 0 H MET A 18 2.892 16.948 -7.166 1.00 0.00 H new ATOM 0 HA MET A 18 4.856 15.308 -5.847 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.858 15.527 -5.743 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.707 14.245 -4.901 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.556 17.111 -4.425 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.096 16.515 -3.659 1.00 0.00 H new ATOM 0 HE1 MET A 18 2.963 14.403 -0.924 1.00 0.00 H new ATOM 0 HE2 MET A 18 1.810 14.748 -2.235 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.884 13.334 -2.345 1.00 0.00 H new ATOM 267 N ILE A 19 3.013 14.006 -8.302 1.00 0.00 N ATOM 268 CA ILE A 19 2.816 12.850 -9.218 1.00 0.00 C ATOM 269 C ILE A 19 4.193 12.579 -9.882 1.00 0.00 C ATOM 270 O ILE A 19 4.548 11.423 -10.144 1.00 0.00 O ATOM 271 CB ILE A 19 1.631 13.093 -10.226 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.346 12.287 -9.852 1.00 0.00 C ATOM 273 CG2 ILE A 19 2.031 12.801 -11.698 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.589 12.952 -8.828 1.00 0.00 C ATOM 0 H ILE A 19 2.439 14.816 -8.537 1.00 0.00 H new ATOM 0 HA ILE A 19 2.500 11.954 -8.683 1.00 0.00 H new ATOM 0 HB ILE A 19 1.399 14.155 -10.142 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.220 12.100 -10.764 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.650 11.316 -9.461 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.177 12.985 -12.350 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.855 13.453 -11.987 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.341 11.760 -11.791 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.447 12.305 -8.644 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.050 13.114 -7.895 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.934 13.909 -9.218 1.00 0.00 H new ATOM 286 N ALA A 20 4.946 13.656 -10.178 1.00 0.00 N ATOM 287 CA ALA A 20 6.235 13.570 -10.917 1.00 0.00 C ATOM 288 C ALA A 20 7.206 12.591 -10.203 1.00 0.00 C ATOM 289 O ALA A 20 7.983 11.884 -10.858 1.00 0.00 O ATOM 290 CB ALA A 20 6.835 14.985 -11.039 1.00 0.00 C ATOM 0 H ALA A 20 4.686 14.607 -9.917 1.00 0.00 H new ATOM 0 HA ALA A 20 6.065 13.176 -11.919 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.780 14.934 -11.579 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.142 15.629 -11.581 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.008 15.394 -10.044 1.00 0.00 H new ATOM 296 N GLU A 21 7.171 12.584 -8.858 1.00 0.00 N ATOM 297 CA GLU A 21 8.112 11.790 -8.025 1.00 0.00 C ATOM 298 C GLU A 21 7.893 10.283 -8.334 1.00 0.00 C ATOM 299 O GLU A 21 8.849 9.501 -8.386 1.00 0.00 O ATOM 300 CB GLU A 21 7.935 12.150 -6.522 1.00 0.00 C ATOM 301 CG GLU A 21 8.232 13.615 -6.124 1.00 0.00 C ATOM 302 CD GLU A 21 8.684 13.793 -4.671 1.00 0.00 C ATOM 303 OE1 GLU A 21 9.261 12.844 -4.096 1.00 0.00 O ATOM 304 OE2 GLU A 21 8.466 14.885 -4.100 1.00 0.00 O ATOM 0 H GLU A 21 6.497 13.123 -8.314 1.00 0.00 H new ATOM 0 HA GLU A 21 9.148 12.028 -8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.909 11.920 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.584 11.499 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.005 14.009 -6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.336 14.213 -6.290 1.00 0.00 H new ATOM 311 N PHE A 22 6.617 9.892 -8.509 1.00 0.00 N ATOM 312 CA PHE A 22 6.219 8.480 -8.751 1.00 0.00 C ATOM 313 C PHE A 22 6.495 8.120 -10.237 1.00 0.00 C ATOM 314 O PHE A 22 6.716 6.946 -10.563 1.00 0.00 O ATOM 315 CB PHE A 22 4.726 8.261 -8.361 1.00 0.00 C ATOM 316 CG PHE A 22 4.384 8.550 -6.885 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.964 7.787 -5.864 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.511 9.591 -6.549 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.717 8.096 -4.528 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.266 9.899 -5.212 1.00 0.00 C ATOM 321 CZ PHE A 22 3.884 9.163 -4.204 1.00 0.00 C ATOM 0 H PHE A 22 5.829 10.540 -8.488 1.00 0.00 H new ATOM 0 HA PHE A 22 6.811 7.813 -8.124 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.105 8.897 -8.992 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.456 7.229 -8.585 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.606 6.955 -6.113 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.025 10.158 -7.329 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.172 7.508 -3.744 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.597 10.708 -4.958 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.717 9.421 -3.169 1.00 0.00 H new ATOM 331 N LYS A 23 6.448 9.127 -11.127 1.00 0.00 N ATOM 332 CA LYS A 23 6.577 8.937 -12.598 1.00 0.00 C ATOM 333 C LYS A 23 7.822 8.049 -12.867 1.00 0.00 C ATOM 334 O LYS A 23 7.781 7.140 -13.705 1.00 0.00 O ATOM 335 CB LYS A 23 6.696 10.304 -13.336 1.00 0.00 C ATOM 336 CG LYS A 23 5.756 10.547 -14.540 1.00 0.00 C ATOM 337 CD LYS A 23 6.291 11.546 -15.588 1.00 0.00 C ATOM 338 CE LYS A 23 7.563 11.041 -16.293 1.00 0.00 C ATOM 339 NZ LYS A 23 7.865 11.833 -17.498 1.00 0.00 N ATOM 0 H LYS A 23 6.319 10.101 -10.854 1.00 0.00 H new ATOM 0 HA LYS A 23 5.683 8.448 -12.983 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.522 11.096 -12.608 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.723 10.411 -13.684 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.565 9.593 -15.032 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.798 10.911 -14.168 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.518 11.734 -16.333 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.503 12.498 -15.102 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.406 11.090 -15.604 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.436 9.994 -16.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.728 11.466 -17.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.071 11.765 -18.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.010 12.828 -17.232 1.00 0.00 H new ATOM 353 N ALA A 24 8.929 8.339 -12.158 1.00 0.00 N ATOM 354 CA ALA A 24 10.232 7.655 -12.373 1.00 0.00 C ATOM 355 C ALA A 24 10.080 6.131 -12.113 1.00 0.00 C ATOM 356 O ALA A 24 10.362 5.303 -12.988 1.00 0.00 O ATOM 357 CB ALA A 24 11.293 8.293 -11.455 1.00 0.00 C ATOM 0 H ALA A 24 8.953 9.047 -11.424 1.00 0.00 H new ATOM 0 HA ALA A 24 10.557 7.777 -13.406 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.251 7.797 -11.607 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.391 9.352 -11.693 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.988 8.182 -10.414 1.00 0.00 H new ATOM 363 N ALA A 25 9.635 5.780 -10.892 1.00 0.00 N ATOM 364 CA ALA A 25 9.519 4.366 -10.444 1.00 0.00 C ATOM 365 C ALA A 25 8.602 3.563 -11.408 1.00 0.00 C ATOM 366 O ALA A 25 8.788 2.353 -11.589 1.00 0.00 O ATOM 367 CB ALA A 25 8.989 4.342 -8.997 1.00 0.00 C ATOM 0 H ALA A 25 9.346 6.458 -10.187 1.00 0.00 H new ATOM 0 HA ALA A 25 10.498 3.888 -10.464 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.900 3.310 -8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.681 4.878 -8.347 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.011 4.821 -8.960 1.00 0.00 H new ATOM 373 N PHE A 26 7.614 4.253 -12.011 1.00 0.00 N ATOM 374 CA PHE A 26 6.587 3.605 -12.872 1.00 0.00 C ATOM 375 C PHE A 26 7.303 3.020 -14.120 1.00 0.00 C ATOM 376 O PHE A 26 7.080 1.862 -14.492 1.00 0.00 O ATOM 377 CB PHE A 26 5.455 4.603 -13.260 1.00 0.00 C ATOM 378 CG PHE A 26 4.528 4.125 -14.403 1.00 0.00 C ATOM 379 CD1 PHE A 26 4.906 4.298 -15.739 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.293 3.537 -14.110 1.00 0.00 C ATOM 381 CE1 PHE A 26 4.054 3.899 -16.767 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.446 3.134 -15.139 1.00 0.00 C ATOM 383 CZ PHE A 26 2.832 3.304 -16.466 1.00 0.00 C ATOM 0 H PHE A 26 7.500 5.263 -11.921 1.00 0.00 H new ATOM 0 HA PHE A 26 6.098 2.799 -12.325 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.847 4.801 -12.377 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.910 5.550 -13.552 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.862 4.742 -15.974 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.995 3.395 -13.082 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.342 4.051 -17.797 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.489 2.689 -14.908 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.182 2.974 -17.263 1.00 0.00 H new ATOM 393 N ASP A 27 8.186 3.829 -14.737 1.00 0.00 N ATOM 394 CA ASP A 27 8.966 3.416 -15.934 1.00 0.00 C ATOM 395 C ASP A 27 9.876 2.218 -15.545 1.00 0.00 C ATOM 396 O ASP A 27 10.071 1.293 -16.343 1.00 0.00 O ATOM 397 CB ASP A 27 9.765 4.606 -16.538 1.00 0.00 C ATOM 398 CG ASP A 27 10.889 4.237 -17.521 1.00 0.00 C ATOM 399 OD1 ASP A 27 10.618 4.127 -18.738 1.00 0.00 O ATOM 400 OD2 ASP A 27 12.043 4.049 -17.077 1.00 0.00 O ATOM 0 H ASP A 27 8.382 4.781 -14.428 1.00 0.00 H new ATOM 0 HA ASP A 27 8.286 3.094 -16.723 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.064 5.265 -17.050 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.200 5.178 -15.719 1.00 0.00 H new ATOM 405 N MET A 28 10.402 2.241 -14.303 1.00 0.00 N ATOM 406 CA MET A 28 11.354 1.208 -13.812 1.00 0.00 C ATOM 407 C MET A 28 10.688 -0.181 -14.013 1.00 0.00 C ATOM 408 O MET A 28 11.324 -1.125 -14.495 1.00 0.00 O ATOM 409 CB MET A 28 11.767 1.451 -12.332 1.00 0.00 C ATOM 410 CG MET A 28 13.117 0.844 -11.904 1.00 0.00 C ATOM 411 SD MET A 28 13.454 1.240 -10.174 1.00 0.00 S ATOM 412 CE MET A 28 13.079 3.005 -10.136 1.00 0.00 C ATOM 0 H MET A 28 10.186 2.963 -13.616 1.00 0.00 H new ATOM 0 HA MET A 28 12.282 1.259 -14.381 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.801 2.526 -12.156 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.987 1.047 -11.686 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.098 -0.237 -12.041 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.916 1.232 -12.536 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.759 3.507 -9.447 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.200 3.424 -11.135 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.051 3.152 -9.803 1.00 0.00 H new ATOM 422 N PHE A 29 9.401 -0.286 -13.628 1.00 0.00 N ATOM 423 CA PHE A 29 8.647 -1.567 -13.663 1.00 0.00 C ATOM 424 C PHE A 29 8.379 -1.939 -15.147 1.00 0.00 C ATOM 425 O PHE A 29 8.420 -3.117 -15.521 1.00 0.00 O ATOM 426 CB PHE A 29 7.330 -1.459 -12.840 1.00 0.00 C ATOM 427 CG PHE A 29 7.515 -1.211 -11.329 1.00 0.00 C ATOM 428 CD1 PHE A 29 8.791 -1.248 -10.755 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.406 -0.946 -10.516 1.00 0.00 C ATOM 430 CE1 PHE A 29 8.956 -1.011 -9.392 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.575 -0.709 -9.154 1.00 0.00 C ATOM 432 CZ PHE A 29 7.849 -0.739 -8.594 1.00 0.00 C ATOM 0 H PHE A 29 8.854 0.504 -13.286 1.00 0.00 H new ATOM 0 HA PHE A 29 9.234 -2.360 -13.200 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.728 -0.650 -13.253 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.761 -2.379 -12.973 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.652 -1.461 -11.372 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.416 -0.925 -10.947 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.943 -1.038 -8.955 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.717 -0.502 -8.532 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.978 -0.551 -7.538 1.00 0.00 H new ATOM 442 N ASP A 30 8.079 -0.919 -15.973 1.00 0.00 N ATOM 443 CA ASP A 30 7.817 -1.101 -17.426 1.00 0.00 C ATOM 444 C ASP A 30 9.040 -1.809 -18.068 1.00 0.00 C ATOM 445 O ASP A 30 10.166 -1.299 -18.011 1.00 0.00 O ATOM 446 CB ASP A 30 7.473 0.249 -18.120 1.00 0.00 C ATOM 447 CG ASP A 30 6.629 0.154 -19.403 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.071 -0.930 -19.683 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.517 1.167 -20.129 1.00 0.00 O ATOM 0 H ASP A 30 8.010 0.050 -15.662 1.00 0.00 H new ATOM 0 HA ASP A 30 6.939 -1.732 -17.565 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.941 0.877 -17.405 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.406 0.759 -18.360 1.00 0.00 H new ATOM 454 N ALA A 31 8.799 -2.979 -18.689 1.00 0.00 N ATOM 455 CA ALA A 31 9.860 -3.782 -19.353 1.00 0.00 C ATOM 456 C ALA A 31 9.761 -3.626 -20.895 1.00 0.00 C ATOM 457 O ALA A 31 10.779 -3.626 -21.596 1.00 0.00 O ATOM 458 CB ALA A 31 9.727 -5.253 -18.914 1.00 0.00 C ATOM 0 H ALA A 31 7.871 -3.398 -18.748 1.00 0.00 H new ATOM 0 HA ALA A 31 10.845 -3.424 -19.055 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.502 -5.848 -19.397 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.839 -5.321 -17.832 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.746 -5.631 -19.202 1.00 0.00 H new ATOM 464 N ASP A 32 8.518 -3.493 -21.400 1.00 0.00 N ATOM 465 CA ASP A 32 8.239 -3.385 -22.857 1.00 0.00 C ATOM 466 C ASP A 32 8.463 -1.913 -23.298 1.00 0.00 C ATOM 467 O ASP A 32 9.097 -1.649 -24.327 1.00 0.00 O ATOM 468 CB ASP A 32 6.817 -3.907 -23.219 1.00 0.00 C ATOM 469 CG ASP A 32 5.671 -2.888 -23.097 1.00 0.00 C ATOM 470 OD1 ASP A 32 5.401 -2.161 -24.078 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.044 -2.809 -22.017 1.00 0.00 O ATOM 0 H ASP A 32 7.681 -3.457 -20.819 1.00 0.00 H new ATOM 0 HA ASP A 32 8.929 -4.026 -23.406 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.838 -4.278 -24.244 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.590 -4.758 -22.576 1.00 0.00 H new ATOM 476 N GLY A 33 7.960 -0.961 -22.488 1.00 0.00 N ATOM 477 CA GLY A 33 8.173 0.492 -22.721 1.00 0.00 C ATOM 478 C GLY A 33 6.965 1.137 -23.451 1.00 0.00 C ATOM 479 O GLY A 33 7.119 2.100 -24.212 1.00 0.00 O ATOM 0 H GLY A 33 7.400 -1.168 -21.661 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.333 0.994 -21.767 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.077 0.637 -23.313 1.00 0.00 H new ATOM 483 N GLY A 34 5.754 0.608 -23.185 1.00 0.00 N ATOM 484 CA GLY A 34 4.492 1.181 -23.718 1.00 0.00 C ATOM 485 C GLY A 34 3.919 2.246 -22.751 1.00 0.00 C ATOM 486 O GLY A 34 4.669 2.952 -22.068 1.00 0.00 O ATOM 0 H GLY A 34 5.618 -0.218 -22.602 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.675 1.631 -24.694 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.761 0.386 -23.866 1.00 0.00 H new ATOM 490 N GLY A 35 2.578 2.377 -22.721 1.00 0.00 N ATOM 491 CA GLY A 35 1.882 3.380 -21.877 1.00 0.00 C ATOM 492 C GLY A 35 1.054 2.672 -20.773 1.00 0.00 C ATOM 493 O GLY A 35 -0.002 3.168 -20.359 1.00 0.00 O ATOM 0 H GLY A 35 1.947 1.798 -23.275 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.611 4.050 -21.421 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.227 3.994 -22.495 1.00 0.00 H new ATOM 497 N ASP A 36 1.560 1.519 -20.297 1.00 0.00 N ATOM 498 CA ASP A 36 0.944 0.753 -19.182 1.00 0.00 C ATOM 499 C ASP A 36 1.985 -0.271 -18.648 1.00 0.00 C ATOM 500 O ASP A 36 3.195 -0.092 -18.833 1.00 0.00 O ATOM 501 CB ASP A 36 -0.390 0.079 -19.615 1.00 0.00 C ATOM 502 CG ASP A 36 -1.037 0.624 -20.900 1.00 0.00 C ATOM 503 OD1 ASP A 36 -0.468 0.425 -21.996 1.00 0.00 O ATOM 504 OD2 ASP A 36 -2.112 1.258 -20.813 1.00 0.00 O ATOM 0 H ASP A 36 2.406 1.087 -20.670 1.00 0.00 H new ATOM 0 HA ASP A 36 0.676 1.433 -18.374 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.208 -0.988 -19.748 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.107 0.181 -18.800 1.00 0.00 H new ATOM 509 N ILE A 37 1.491 -1.353 -18.014 1.00 0.00 N ATOM 510 CA ILE A 37 2.336 -2.475 -17.525 1.00 0.00 C ATOM 511 C ILE A 37 1.565 -3.812 -17.709 1.00 0.00 C ATOM 512 O ILE A 37 0.463 -3.836 -18.274 1.00 0.00 O ATOM 513 CB ILE A 37 2.871 -2.281 -16.057 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.803 -0.822 -15.508 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.288 -2.888 -15.895 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.897 -0.434 -14.500 1.00 0.00 C ATOM 0 H ILE A 37 0.497 -1.479 -17.824 1.00 0.00 H new ATOM 0 HA ILE A 37 3.241 -2.497 -18.131 1.00 0.00 H new ATOM 0 HB ILE A 37 2.172 -2.834 -15.430 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.853 -0.134 -16.352 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.832 -0.677 -15.035 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.633 -2.740 -14.872 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.254 -3.955 -16.115 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.975 -2.397 -16.584 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.752 0.600 -14.186 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.839 -1.089 -13.631 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.876 -0.537 -14.968 1.00 0.00 H new ATOM 528 N SER A 38 2.156 -4.920 -17.226 1.00 0.00 N ATOM 529 CA SER A 38 1.515 -6.263 -17.266 1.00 0.00 C ATOM 530 C SER A 38 1.993 -7.111 -16.055 1.00 0.00 C ATOM 531 O SER A 38 2.588 -6.583 -15.109 1.00 0.00 O ATOM 532 CB SER A 38 1.826 -6.942 -18.619 1.00 0.00 C ATOM 533 OG SER A 38 2.972 -7.783 -18.529 1.00 0.00 O ATOM 0 H SER A 38 3.082 -4.919 -16.799 1.00 0.00 H new ATOM 0 HA SER A 38 0.432 -6.167 -17.186 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.966 -7.530 -18.938 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.991 -6.180 -19.380 1.00 0.00 H new ATOM 0 HG SER A 38 3.142 -8.199 -19.400 1.00 0.00 H new ATOM 539 N THR A 39 1.723 -8.429 -16.110 1.00 0.00 N ATOM 540 CA THR A 39 2.100 -9.391 -15.041 1.00 0.00 C ATOM 541 C THR A 39 3.564 -9.853 -15.275 1.00 0.00 C ATOM 542 O THR A 39 4.349 -9.968 -14.325 1.00 0.00 O ATOM 543 CB THR A 39 1.100 -10.586 -14.948 1.00 0.00 C ATOM 544 OG1 THR A 39 0.449 -10.797 -16.199 1.00 0.00 O ATOM 545 CG2 THR A 39 0.014 -10.451 -13.865 1.00 0.00 C ATOM 0 H THR A 39 1.237 -8.863 -16.895 1.00 0.00 H new ATOM 0 HA THR A 39 2.042 -8.894 -14.073 1.00 0.00 H new ATOM 0 HB THR A 39 1.726 -11.433 -14.668 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.172 -11.551 -16.121 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.629 -11.331 -13.882 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.485 -10.365 -12.886 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.585 -9.561 -14.059 1.00 0.00 H new ATOM 553 N LYS A 40 3.917 -10.123 -16.546 1.00 0.00 N ATOM 554 CA LYS A 40 5.279 -10.582 -16.930 1.00 0.00 C ATOM 555 C LYS A 40 6.293 -9.443 -16.641 1.00 0.00 C ATOM 556 O LYS A 40 7.449 -9.704 -16.281 1.00 0.00 O ATOM 557 CB LYS A 40 5.263 -11.045 -18.417 1.00 0.00 C ATOM 558 CG LYS A 40 6.377 -12.031 -18.850 1.00 0.00 C ATOM 559 CD LYS A 40 7.192 -11.722 -20.130 1.00 0.00 C ATOM 560 CE LYS A 40 6.395 -11.249 -21.364 1.00 0.00 C ATOM 561 NZ LYS A 40 7.178 -10.415 -22.293 1.00 0.00 N ATOM 0 H LYS A 40 3.277 -10.032 -17.335 1.00 0.00 H new ATOM 0 HA LYS A 40 5.594 -11.443 -16.340 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.299 -11.511 -18.618 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.327 -10.160 -19.050 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.082 -12.116 -18.023 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.918 -13.011 -18.980 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.929 -10.956 -19.887 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.745 -12.620 -20.406 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.022 -12.121 -21.900 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.525 -10.684 -21.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.580 -10.135 -23.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.513 -9.564 -21.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.994 -10.957 -22.642 1.00 0.00 H new ATOM 575 N GLU A 41 5.851 -8.185 -16.821 1.00 0.00 N ATOM 576 CA GLU A 41 6.727 -6.989 -16.699 1.00 0.00 C ATOM 577 C GLU A 41 7.091 -6.769 -15.206 1.00 0.00 C ATOM 578 O GLU A 41 8.258 -6.532 -14.869 1.00 0.00 O ATOM 579 CB GLU A 41 6.061 -5.739 -17.345 1.00 0.00 C ATOM 580 CG GLU A 41 5.103 -5.968 -18.539 1.00 0.00 C ATOM 581 CD GLU A 41 4.802 -4.707 -19.356 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.659 -3.797 -19.401 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.709 -4.623 -19.959 1.00 0.00 O ATOM 0 H GLU A 41 4.883 -7.962 -17.054 1.00 0.00 H new ATOM 0 HA GLU A 41 7.653 -7.156 -17.249 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.507 -5.215 -16.566 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.855 -5.070 -17.676 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.537 -6.719 -19.199 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.165 -6.376 -18.164 1.00 0.00 H new ATOM 590 N LEU A 42 6.074 -6.825 -14.326 1.00 0.00 N ATOM 591 CA LEU A 42 6.230 -6.522 -12.878 1.00 0.00 C ATOM 592 C LEU A 42 7.104 -7.634 -12.238 1.00 0.00 C ATOM 593 O LEU A 42 7.926 -7.364 -11.354 1.00 0.00 O ATOM 594 CB LEU A 42 4.838 -6.410 -12.183 1.00 0.00 C ATOM 595 CG LEU A 42 4.804 -5.834 -10.737 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.560 -4.311 -10.712 1.00 0.00 C ATOM 597 CD2 LEU A 42 3.743 -6.550 -9.877 1.00 0.00 C ATOM 0 H LEU A 42 5.122 -7.080 -14.590 1.00 0.00 H new ATOM 0 HA LEU A 42 6.723 -5.559 -12.747 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.198 -5.788 -12.809 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.392 -7.404 -12.160 1.00 0.00 H new ATOM 0 HG LEU A 42 5.791 -6.017 -10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.546 -3.962 -9.680 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.359 -3.806 -11.255 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.603 -4.088 -11.184 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.742 -6.126 -8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.759 -6.417 -10.327 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.976 -7.613 -9.822 1.00 0.00 H new ATOM 609 N GLY A 43 6.893 -8.890 -12.676 1.00 0.00 N ATOM 610 CA GLY A 43 7.560 -10.078 -12.088 1.00 0.00 C ATOM 611 C GLY A 43 9.095 -9.875 -12.014 1.00 0.00 C ATOM 612 O GLY A 43 9.760 -10.411 -11.117 1.00 0.00 O ATOM 0 H GLY A 43 6.259 -9.114 -13.443 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.166 -10.263 -11.089 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.335 -10.960 -12.688 1.00 0.00 H new ATOM 616 N THR A 44 9.645 -9.103 -12.970 1.00 0.00 N ATOM 617 CA THR A 44 11.111 -8.902 -13.115 1.00 0.00 C ATOM 618 C THR A 44 11.606 -7.954 -11.986 1.00 0.00 C ATOM 619 O THR A 44 12.592 -8.252 -11.302 1.00 0.00 O ATOM 620 CB THR A 44 11.495 -8.390 -14.540 1.00 0.00 C ATOM 621 OG1 THR A 44 11.558 -9.474 -15.463 1.00 0.00 O ATOM 622 CG2 THR A 44 12.823 -7.616 -14.623 1.00 0.00 C ATOM 0 H THR A 44 9.093 -8.600 -13.665 1.00 0.00 H new ATOM 0 HA THR A 44 11.616 -9.862 -13.009 1.00 0.00 H new ATOM 0 HB THR A 44 10.701 -7.687 -14.793 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.798 -9.134 -16.350 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.999 -7.304 -15.653 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.772 -6.737 -13.981 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.640 -8.259 -14.294 1.00 0.00 H new ATOM 630 N VAL A 45 10.923 -6.805 -11.830 1.00 0.00 N ATOM 631 CA VAL A 45 11.326 -5.734 -10.880 1.00 0.00 C ATOM 632 C VAL A 45 11.391 -6.364 -9.462 1.00 0.00 C ATOM 633 O VAL A 45 12.309 -6.070 -8.685 1.00 0.00 O ATOM 634 CB VAL A 45 10.383 -4.481 -10.973 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.463 -4.286 -9.742 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.159 -3.161 -11.205 1.00 0.00 C ATOM 0 H VAL A 45 10.076 -6.586 -12.355 1.00 0.00 H new ATOM 0 HA VAL A 45 12.311 -5.344 -11.136 1.00 0.00 H new ATOM 0 HB VAL A 45 9.759 -4.703 -11.839 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.845 -3.400 -9.886 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.822 -5.160 -9.624 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.073 -4.161 -8.848 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.455 -2.330 -11.261 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.851 -2.996 -10.379 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.718 -3.227 -12.139 1.00 0.00 H new ATOM 646 N MET A 46 10.394 -7.204 -9.128 1.00 0.00 N ATOM 647 CA MET A 46 10.250 -7.799 -7.772 1.00 0.00 C ATOM 648 C MET A 46 11.593 -8.485 -7.402 1.00 0.00 C ATOM 649 O MET A 46 12.016 -8.459 -6.239 1.00 0.00 O ATOM 650 CB MET A 46 9.049 -8.784 -7.710 1.00 0.00 C ATOM 651 CG MET A 46 7.652 -8.136 -7.658 1.00 0.00 C ATOM 652 SD MET A 46 6.578 -9.064 -6.541 1.00 0.00 S ATOM 653 CE MET A 46 5.937 -7.744 -5.489 1.00 0.00 C ATOM 0 H MET A 46 9.666 -7.493 -9.781 1.00 0.00 H new ATOM 0 HA MET A 46 10.032 -7.020 -7.042 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.094 -9.437 -8.582 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.168 -9.417 -6.831 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.734 -7.103 -7.321 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.217 -8.112 -8.657 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.258 -8.166 -4.749 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.765 -7.249 -4.981 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.401 -7.019 -6.101 1.00 0.00 H new ATOM 663 N ARG A 47 12.236 -9.121 -8.399 1.00 0.00 N ATOM 664 CA ARG A 47 13.472 -9.921 -8.195 1.00 0.00 C ATOM 665 C ARG A 47 14.641 -8.966 -7.825 1.00 0.00 C ATOM 666 O ARG A 47 15.489 -9.306 -6.990 1.00 0.00 O ATOM 667 CB ARG A 47 13.803 -10.749 -9.469 1.00 0.00 C ATOM 668 CG ARG A 47 14.313 -12.183 -9.197 1.00 0.00 C ATOM 669 CD ARG A 47 15.169 -12.751 -10.346 1.00 0.00 C ATOM 670 NE ARG A 47 16.244 -13.649 -9.852 1.00 0.00 N ATOM 671 CZ ARG A 47 17.567 -13.421 -9.990 1.00 0.00 C ATOM 672 NH1 ARG A 47 18.081 -12.349 -10.593 1.00 0.00 N ATOM 673 NH2 ARG A 47 18.405 -14.313 -9.497 1.00 0.00 N ATOM 0 H ARG A 47 11.919 -9.099 -9.368 1.00 0.00 H new ATOM 0 HA ARG A 47 13.320 -10.626 -7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.908 -10.808 -10.089 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.557 -10.214 -10.047 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.901 -12.185 -8.279 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.459 -12.840 -9.030 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.529 -13.299 -11.037 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.614 -11.929 -10.907 1.00 0.00 H new ATOM 0 HE ARG A 47 15.961 -14.503 -9.372 1.00 0.00 H new ATOM 0 HH11 ARG A 47 17.463 -11.639 -10.985 1.00 0.00 H new ATOM 0 HH12 ARG A 47 19.093 -12.239 -10.663 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.047 -15.145 -9.028 1.00 0.00 H new ATOM 0 HH22 ARG A 47 19.411 -14.171 -9.585 1.00 0.00 H new ATOM 687 N MET A 48 14.681 -7.791 -8.482 1.00 0.00 N ATOM 688 CA MET A 48 15.794 -6.816 -8.326 1.00 0.00 C ATOM 689 C MET A 48 16.006 -6.569 -6.807 1.00 0.00 C ATOM 690 O MET A 48 17.143 -6.377 -6.355 1.00 0.00 O ATOM 691 CB MET A 48 15.521 -5.494 -9.100 1.00 0.00 C ATOM 692 CG MET A 48 16.239 -5.352 -10.455 1.00 0.00 C ATOM 693 SD MET A 48 17.433 -3.998 -10.384 1.00 0.00 S ATOM 694 CE MET A 48 16.373 -2.574 -10.708 1.00 0.00 C ATOM 0 H MET A 48 13.955 -7.487 -9.130 1.00 0.00 H new ATOM 0 HA MET A 48 16.706 -7.225 -8.761 1.00 0.00 H new ATOM 0 HB2 MET A 48 14.447 -5.408 -9.268 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.812 -4.657 -8.466 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.747 -6.283 -10.706 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.511 -5.164 -11.244 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.973 -1.664 -10.695 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.903 -2.685 -11.685 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.602 -2.512 -9.940 1.00 0.00 H new ATOM 704 N LEU A 49 14.902 -6.573 -6.035 1.00 0.00 N ATOM 705 CA LEU A 49 14.928 -6.240 -4.584 1.00 0.00 C ATOM 706 C LEU A 49 13.753 -6.978 -3.889 1.00 0.00 C ATOM 707 O LEU A 49 12.838 -6.348 -3.342 1.00 0.00 O ATOM 708 CB LEU A 49 14.851 -4.697 -4.370 1.00 0.00 C ATOM 709 CG LEU A 49 13.616 -3.954 -4.960 1.00 0.00 C ATOM 710 CD1 LEU A 49 13.022 -2.962 -3.941 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.941 -3.222 -6.278 1.00 0.00 C ATOM 0 H LEU A 49 13.973 -6.803 -6.388 1.00 0.00 H new ATOM 0 HA LEU A 49 15.867 -6.571 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.880 -4.503 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.749 -4.252 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 49 12.875 -4.722 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 49 12.162 -2.459 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.708 -3.502 -3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.776 -2.222 -3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.046 -2.721 -6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.723 -2.484 -6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.284 -3.943 -7.020 1.00 0.00 H new ATOM 723 N GLY A 50 13.805 -8.324 -3.889 1.00 0.00 N ATOM 724 CA GLY A 50 12.820 -9.167 -3.166 1.00 0.00 C ATOM 725 C GLY A 50 13.110 -10.667 -3.430 1.00 0.00 C ATOM 726 O GLY A 50 13.987 -11.264 -2.794 1.00 0.00 O ATOM 0 H GLY A 50 14.521 -8.857 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.869 -8.962 -2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.810 -8.921 -3.492 1.00 0.00 H new ATOM 730 N GLN A 51 12.368 -11.259 -4.386 1.00 0.00 N ATOM 731 CA GLN A 51 12.444 -12.709 -4.709 1.00 0.00 C ATOM 732 C GLN A 51 11.890 -12.916 -6.145 1.00 0.00 C ATOM 733 O GLN A 51 11.516 -11.950 -6.822 1.00 0.00 O ATOM 734 CB GLN A 51 11.672 -13.546 -3.648 1.00 0.00 C ATOM 735 CG GLN A 51 10.127 -13.473 -3.710 1.00 0.00 C ATOM 736 CD GLN A 51 9.411 -14.069 -2.484 1.00 0.00 C ATOM 737 OE1 GLN A 51 9.013 -13.352 -1.567 1.00 0.00 O ATOM 738 NE2 GLN A 51 9.238 -15.381 -2.437 1.00 0.00 N ATOM 0 H GLN A 51 11.696 -10.750 -4.960 1.00 0.00 H new ATOM 0 HA GLN A 51 13.477 -13.056 -4.680 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.970 -14.589 -3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.991 -13.221 -2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.829 -12.430 -3.818 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.787 -13.996 -4.604 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.572 -15.967 -3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.771 -15.805 -1.636 1.00 0.00 H new ATOM 747 N ASN A 52 11.810 -14.187 -6.585 1.00 0.00 N ATOM 748 CA ASN A 52 11.287 -14.549 -7.928 1.00 0.00 C ATOM 749 C ASN A 52 10.013 -15.465 -7.791 1.00 0.00 C ATOM 750 O ASN A 52 10.154 -16.692 -7.844 1.00 0.00 O ATOM 751 CB ASN A 52 12.423 -15.217 -8.750 1.00 0.00 C ATOM 752 CG ASN A 52 12.215 -15.196 -10.280 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.119 -14.925 -10.771 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.249 -15.485 -11.057 1.00 0.00 N ATOM 0 H ASN A 52 12.102 -14.990 -6.028 1.00 0.00 H new ATOM 0 HA ASN A 52 10.968 -13.656 -8.465 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.363 -14.716 -8.519 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.526 -16.253 -8.426 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.141 -15.484 -12.071 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.153 -15.708 -10.641 1.00 0.00 H new ATOM 761 N PRO A 53 8.764 -14.923 -7.618 1.00 0.00 N ATOM 762 CA PRO A 53 7.515 -15.723 -7.598 1.00 0.00 C ATOM 763 C PRO A 53 7.417 -16.682 -8.819 1.00 0.00 C ATOM 764 O PRO A 53 8.244 -16.626 -9.736 1.00 0.00 O ATOM 765 CB PRO A 53 6.420 -14.638 -7.573 1.00 0.00 C ATOM 766 CG PRO A 53 7.064 -13.345 -7.070 1.00 0.00 C ATOM 767 CD PRO A 53 8.535 -13.463 -7.441 1.00 0.00 C ATOM 0 HA PRO A 53 7.440 -16.403 -6.749 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.000 -14.495 -8.568 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.600 -14.937 -6.920 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.609 -12.471 -7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.937 -13.234 -5.993 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.758 -12.913 -8.356 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.175 -13.054 -6.659 1.00 0.00 H new ATOM 775 N THR A 54 6.375 -17.533 -8.825 1.00 0.00 N ATOM 776 CA THR A 54 6.126 -18.507 -9.921 1.00 0.00 C ATOM 777 C THR A 54 5.240 -17.824 -10.998 1.00 0.00 C ATOM 778 O THR A 54 4.594 -16.804 -10.727 1.00 0.00 O ATOM 779 CB THR A 54 5.517 -19.845 -9.394 1.00 0.00 C ATOM 780 OG1 THR A 54 5.873 -20.930 -10.247 1.00 0.00 O ATOM 781 CG2 THR A 54 3.985 -19.850 -9.232 1.00 0.00 C ATOM 0 H THR A 54 5.681 -17.571 -8.078 1.00 0.00 H new ATOM 0 HA THR A 54 7.075 -18.792 -10.376 1.00 0.00 H new ATOM 0 HB THR A 54 5.943 -19.956 -8.397 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.484 -21.760 -9.900 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.661 -20.823 -8.861 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.692 -19.076 -8.523 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.516 -19.655 -10.197 1.00 0.00 H new ATOM 789 N LYS A 55 5.246 -18.382 -12.223 1.00 0.00 N ATOM 790 CA LYS A 55 4.543 -17.789 -13.392 1.00 0.00 C ATOM 791 C LYS A 55 3.081 -17.478 -12.973 1.00 0.00 C ATOM 792 O LYS A 55 2.585 -16.366 -13.190 1.00 0.00 O ATOM 793 CB LYS A 55 4.624 -18.751 -14.617 1.00 0.00 C ATOM 794 CG LYS A 55 5.987 -18.854 -15.345 1.00 0.00 C ATOM 795 CD LYS A 55 7.088 -19.617 -14.573 1.00 0.00 C ATOM 796 CE LYS A 55 7.915 -18.749 -13.604 1.00 0.00 C ATOM 797 NZ LYS A 55 9.288 -18.487 -14.080 1.00 0.00 N ATOM 0 H LYS A 55 5.734 -19.252 -12.437 1.00 0.00 H new ATOM 0 HA LYS A 55 5.019 -16.858 -13.701 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.343 -19.750 -14.282 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.875 -18.437 -15.344 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.832 -19.345 -16.306 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.345 -17.847 -15.556 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.623 -20.425 -14.009 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.764 -20.079 -15.293 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.403 -17.799 -13.452 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.963 -19.244 -12.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.790 -17.899 -13.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.792 -19.389 -14.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.250 -17.988 -14.992 1.00 0.00 H new ATOM 811 N GLU A 56 2.415 -18.466 -12.346 1.00 0.00 N ATOM 812 CA GLU A 56 1.000 -18.341 -11.908 1.00 0.00 C ATOM 813 C GLU A 56 0.939 -17.333 -10.728 1.00 0.00 C ATOM 814 O GLU A 56 -0.051 -16.611 -10.566 1.00 0.00 O ATOM 815 CB GLU A 56 0.415 -19.741 -11.563 1.00 0.00 C ATOM 816 CG GLU A 56 -0.996 -20.055 -12.116 1.00 0.00 C ATOM 817 CD GLU A 56 -2.131 -19.799 -11.119 1.00 0.00 C ATOM 818 OE1 GLU A 56 -2.359 -20.649 -10.230 1.00 0.00 O ATOM 819 OE2 GLU A 56 -2.798 -18.745 -11.219 1.00 0.00 O ATOM 0 H GLU A 56 2.834 -19.370 -12.127 1.00 0.00 H new ATOM 0 HA GLU A 56 0.374 -17.950 -12.710 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.104 -20.500 -11.935 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.386 -19.841 -10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.167 -19.452 -13.008 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.029 -21.099 -12.427 1.00 0.00 H new ATOM 826 N GLU A 57 1.999 -17.322 -9.897 1.00 0.00 N ATOM 827 CA GLU A 57 2.084 -16.434 -8.706 1.00 0.00 C ATOM 828 C GLU A 57 1.806 -14.971 -9.148 1.00 0.00 C ATOM 829 O GLU A 57 1.190 -14.194 -8.410 1.00 0.00 O ATOM 830 CB GLU A 57 3.449 -16.591 -7.976 1.00 0.00 C ATOM 831 CG GLU A 57 3.490 -16.303 -6.454 1.00 0.00 C ATOM 832 CD GLU A 57 3.038 -17.477 -5.580 1.00 0.00 C ATOM 833 OE1 GLU A 57 1.832 -17.809 -5.587 1.00 0.00 O ATOM 834 OE2 GLU A 57 3.888 -18.071 -4.879 1.00 0.00 O ATOM 0 H GLU A 57 2.816 -17.919 -10.024 1.00 0.00 H new ATOM 0 HA GLU A 57 1.326 -16.723 -7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.798 -17.612 -8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.167 -15.930 -8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.507 -16.028 -6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.857 -15.442 -6.241 1.00 0.00 H new ATOM 841 N LEU A 58 2.297 -14.605 -10.347 1.00 0.00 N ATOM 842 CA LEU A 58 2.213 -13.215 -10.869 1.00 0.00 C ATOM 843 C LEU A 58 0.750 -12.930 -11.305 1.00 0.00 C ATOM 844 O LEU A 58 0.233 -11.827 -11.094 1.00 0.00 O ATOM 845 CB LEU A 58 3.256 -13.049 -12.013 1.00 0.00 C ATOM 846 CG LEU A 58 4.569 -12.295 -11.657 1.00 0.00 C ATOM 847 CD1 LEU A 58 4.252 -10.913 -11.052 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.481 -13.088 -10.698 1.00 0.00 C ATOM 0 H LEU A 58 2.761 -15.254 -10.982 1.00 0.00 H new ATOM 0 HA LEU A 58 2.460 -12.476 -10.107 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.522 -14.041 -12.378 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.775 -12.524 -12.838 1.00 0.00 H new ATOM 0 HG LEU A 58 5.115 -12.173 -12.592 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.183 -10.400 -10.809 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.689 -10.321 -11.773 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.660 -11.040 -10.145 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.380 -12.508 -10.488 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.949 -13.282 -9.767 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.759 -14.035 -11.160 1.00 0.00 H new ATOM 860 N ASP A 59 0.096 -13.949 -11.893 1.00 0.00 N ATOM 861 CA ASP A 59 -1.278 -13.823 -12.447 1.00 0.00 C ATOM 862 C ASP A 59 -2.259 -13.510 -11.285 1.00 0.00 C ATOM 863 O ASP A 59 -3.259 -12.806 -11.475 1.00 0.00 O ATOM 864 CB ASP A 59 -1.690 -15.089 -13.254 1.00 0.00 C ATOM 865 CG ASP A 59 -0.698 -15.557 -14.332 1.00 0.00 C ATOM 866 OD1 ASP A 59 0.290 -14.836 -14.598 1.00 0.00 O ATOM 867 OD2 ASP A 59 -0.900 -16.647 -14.910 1.00 0.00 O ATOM 0 H ASP A 59 0.497 -14.881 -12.000 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.311 -12.999 -13.160 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.845 -15.908 -12.552 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.650 -14.894 -13.733 1.00 0.00 H new ATOM 872 N ALA A 60 -1.973 -14.065 -10.092 1.00 0.00 N ATOM 873 CA ALA A 60 -2.862 -13.943 -8.907 1.00 0.00 C ATOM 874 C ALA A 60 -2.721 -12.528 -8.280 1.00 0.00 C ATOM 875 O ALA A 60 -3.716 -11.914 -7.879 1.00 0.00 O ATOM 876 CB ALA A 60 -2.515 -15.056 -7.899 1.00 0.00 C ATOM 0 H ALA A 60 -1.127 -14.608 -9.917 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.904 -14.064 -9.204 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.164 -14.972 -7.027 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.661 -16.029 -8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.475 -14.955 -7.589 1.00 0.00 H new ATOM 882 N ILE A 61 -1.468 -12.046 -8.182 1.00 0.00 N ATOM 883 CA ILE A 61 -1.144 -10.739 -7.549 1.00 0.00 C ATOM 884 C ILE A 61 -2.061 -9.687 -8.232 1.00 0.00 C ATOM 885 O ILE A 61 -2.574 -8.777 -7.569 1.00 0.00 O ATOM 886 CB ILE A 61 0.396 -10.418 -7.614 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.158 -10.848 -6.320 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.681 -8.924 -7.927 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.095 -9.791 -5.712 1.00 0.00 C ATOM 0 H ILE A 61 -0.650 -12.543 -8.535 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.345 -10.742 -6.478 1.00 0.00 H new ATOM 0 HB ILE A 61 0.776 -11.016 -8.442 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.424 -11.132 -5.566 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.744 -11.739 -6.545 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.758 -8.758 -7.960 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.244 -8.665 -8.891 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.241 -8.299 -7.150 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.571 -10.197 -4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.860 -9.521 -6.440 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.519 -8.905 -5.445 1.00 0.00 H new ATOM 901 N ILE A 62 -2.260 -9.830 -9.556 1.00 0.00 N ATOM 902 CA ILE A 62 -3.024 -8.857 -10.384 1.00 0.00 C ATOM 903 C ILE A 62 -4.527 -9.159 -10.130 1.00 0.00 C ATOM 904 O ILE A 62 -5.351 -8.238 -10.069 1.00 0.00 O ATOM 905 CB ILE A 62 -2.585 -8.899 -11.895 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.344 -7.997 -12.188 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.744 -8.537 -12.863 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.028 -7.753 -13.674 1.00 0.00 C ATOM 0 H ILE A 62 -1.899 -10.621 -10.089 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.817 -7.825 -10.100 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.300 -9.935 -12.079 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.498 -7.032 -11.706 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.470 -8.451 -11.720 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.386 -8.581 -13.892 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.562 -9.246 -12.732 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.099 -7.529 -12.645 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.148 -7.115 -13.759 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.834 -8.706 -14.166 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.878 -7.265 -14.151 1.00 0.00 H new ATOM 920 N GLU A 63 -4.870 -10.456 -10.010 1.00 0.00 N ATOM 921 CA GLU A 63 -6.266 -10.909 -9.766 1.00 0.00 C ATOM 922 C GLU A 63 -6.876 -10.050 -8.625 1.00 0.00 C ATOM 923 O GLU A 63 -8.086 -9.792 -8.608 1.00 0.00 O ATOM 924 CB GLU A 63 -6.301 -12.438 -9.475 1.00 0.00 C ATOM 925 CG GLU A 63 -7.657 -13.151 -9.687 1.00 0.00 C ATOM 926 CD GLU A 63 -8.621 -13.030 -8.502 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.185 -12.607 -7.408 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.817 -13.361 -8.658 1.00 0.00 O ATOM 0 H GLU A 63 -4.197 -11.220 -10.078 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.880 -10.763 -10.655 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.558 -12.923 -10.109 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.991 -12.596 -8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.137 -12.739 -10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.473 -14.207 -9.885 1.00 0.00 H new ATOM 935 N GLU A 64 -6.026 -9.633 -7.669 1.00 0.00 N ATOM 936 CA GLU A 64 -6.462 -8.864 -6.472 1.00 0.00 C ATOM 937 C GLU A 64 -6.746 -7.400 -6.903 1.00 0.00 C ATOM 938 O GLU A 64 -7.805 -6.843 -6.587 1.00 0.00 O ATOM 939 CB GLU A 64 -5.402 -8.984 -5.339 1.00 0.00 C ATOM 940 CG GLU A 64 -5.549 -10.191 -4.381 1.00 0.00 C ATOM 941 CD GLU A 64 -6.724 -10.077 -3.405 1.00 0.00 C ATOM 942 OE1 GLU A 64 -7.115 -8.941 -3.057 1.00 0.00 O ATOM 943 OE2 GLU A 64 -7.261 -11.124 -2.980 1.00 0.00 O ATOM 0 H GLU A 64 -5.023 -9.814 -7.697 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.385 -9.271 -6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.415 -9.032 -5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.433 -8.071 -4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.669 -11.098 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.627 -10.303 -3.811 1.00 0.00 H new ATOM 950 N VAL A 65 -5.777 -6.778 -7.601 1.00 0.00 N ATOM 951 CA VAL A 65 -5.833 -5.344 -7.991 1.00 0.00 C ATOM 952 C VAL A 65 -5.968 -5.282 -9.537 1.00 0.00 C ATOM 953 O VAL A 65 -4.984 -5.028 -10.244 1.00 0.00 O ATOM 954 CB VAL A 65 -4.607 -4.536 -7.431 1.00 0.00 C ATOM 955 CG1 VAL A 65 -3.262 -5.275 -7.631 1.00 0.00 C ATOM 956 CG2 VAL A 65 -4.464 -3.110 -8.019 1.00 0.00 C ATOM 0 H VAL A 65 -4.929 -7.251 -7.914 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.700 -4.857 -7.544 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.830 -4.449 -6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.451 -4.670 -7.225 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.293 -6.234 -7.114 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.093 -5.442 -8.695 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.594 -2.621 -7.580 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.338 -3.173 -9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.359 -2.531 -7.791 1.00 0.00 H new ATOM 966 N ASP A 66 -7.193 -5.507 -10.048 1.00 0.00 N ATOM 967 CA ASP A 66 -7.480 -5.474 -11.508 1.00 0.00 C ATOM 968 C ASP A 66 -8.989 -5.771 -11.723 1.00 0.00 C ATOM 969 O ASP A 66 -9.370 -6.476 -12.666 1.00 0.00 O ATOM 970 CB ASP A 66 -6.559 -6.445 -12.302 1.00 0.00 C ATOM 971 CG ASP A 66 -6.109 -5.963 -13.692 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.756 -5.054 -14.258 1.00 0.00 O ATOM 973 OD2 ASP A 66 -5.102 -6.488 -14.216 1.00 0.00 O ATOM 0 H ASP A 66 -8.009 -5.715 -9.473 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.258 -4.482 -11.902 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.670 -6.643 -11.703 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.081 -7.394 -12.420 1.00 0.00 H new ATOM 978 N GLU A 67 -9.834 -5.248 -10.817 1.00 0.00 N ATOM 979 CA GLU A 67 -11.304 -5.461 -10.824 1.00 0.00 C ATOM 980 C GLU A 67 -11.982 -4.388 -11.719 1.00 0.00 C ATOM 981 O GLU A 67 -13.164 -4.064 -11.513 1.00 0.00 O ATOM 982 CB GLU A 67 -11.848 -5.462 -9.362 1.00 0.00 C ATOM 983 CG GLU A 67 -11.879 -4.095 -8.639 1.00 0.00 C ATOM 984 CD GLU A 67 -12.995 -3.962 -7.598 1.00 0.00 C ATOM 985 OE1 GLU A 67 -13.342 -4.974 -6.949 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.529 -2.844 -7.422 1.00 0.00 O ATOM 0 H GLU A 67 -9.518 -4.658 -10.048 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.543 -6.435 -11.251 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.861 -5.865 -9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.240 -6.147 -8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.919 -3.934 -8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.994 -3.306 -9.382 1.00 0.00 H new ATOM 993 N ASP A 68 -11.250 -3.839 -12.705 1.00 0.00 N ATOM 994 CA ASP A 68 -11.757 -2.769 -13.606 1.00 0.00 C ATOM 995 C ASP A 68 -12.181 -3.410 -14.953 1.00 0.00 C ATOM 996 O ASP A 68 -13.285 -3.166 -15.457 1.00 0.00 O ATOM 997 CB ASP A 68 -10.713 -1.628 -13.786 1.00 0.00 C ATOM 998 CG ASP A 68 -9.557 -1.603 -12.772 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.669 -2.482 -12.842 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.537 -0.706 -11.901 1.00 0.00 O ATOM 0 H ASP A 68 -10.290 -4.119 -12.906 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.631 -2.296 -13.158 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.289 -1.705 -14.787 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.236 -0.673 -13.734 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.276 -4.213 -15.550 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.526 -4.869 -16.858 1.00 0.00 C ATOM 1007 C GLY A 69 -10.259 -4.793 -17.749 1.00 0.00 C ATOM 1008 O GLY A 69 -9.930 -5.748 -18.464 1.00 0.00 O ATOM 0 H GLY A 69 -10.363 -4.425 -15.149 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.807 -5.910 -16.702 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.363 -4.385 -17.362 1.00 0.00 H new ATOM 1012 N SER A 70 -9.559 -3.644 -17.693 1.00 0.00 N ATOM 1013 CA SER A 70 -8.373 -3.363 -18.543 1.00 0.00 C ATOM 1014 C SER A 70 -7.401 -4.573 -18.513 1.00 0.00 C ATOM 1015 O SER A 70 -6.922 -5.034 -19.556 1.00 0.00 O ATOM 1016 CB SER A 70 -7.698 -2.056 -18.067 1.00 0.00 C ATOM 1017 OG SER A 70 -7.405 -2.100 -16.674 1.00 0.00 O ATOM 0 H SER A 70 -9.795 -2.881 -17.059 1.00 0.00 H new ATOM 0 HA SER A 70 -8.678 -3.221 -19.580 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.778 -1.894 -18.629 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.352 -1.210 -18.276 1.00 0.00 H new ATOM 0 HG SER A 70 -6.977 -1.261 -16.403 1.00 0.00 H new ATOM 1023 N GLY A 71 -7.107 -5.076 -17.297 1.00 0.00 N ATOM 1024 CA GLY A 71 -6.184 -6.224 -17.106 1.00 0.00 C ATOM 1025 C GLY A 71 -4.711 -5.755 -17.230 1.00 0.00 C ATOM 1026 O GLY A 71 -3.844 -6.510 -17.689 1.00 0.00 O ATOM 0 H GLY A 71 -7.494 -4.708 -16.428 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.349 -6.673 -16.127 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.392 -6.994 -17.849 1.00 0.00 H new ATOM 1030 N THR A 72 -4.449 -4.501 -16.813 1.00 0.00 N ATOM 1031 CA THR A 72 -3.084 -3.914 -16.787 1.00 0.00 C ATOM 1032 C THR A 72 -3.032 -2.821 -15.685 1.00 0.00 C ATOM 1033 O THR A 72 -4.058 -2.213 -15.351 1.00 0.00 O ATOM 1034 CB THR A 72 -2.648 -3.379 -18.188 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.579 -2.413 -18.670 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.474 -4.456 -19.276 1.00 0.00 C ATOM 0 H THR A 72 -5.173 -3.862 -16.484 1.00 0.00 H new ATOM 0 HA THR A 72 -2.361 -4.692 -16.542 1.00 0.00 H new ATOM 0 HB THR A 72 -1.665 -2.942 -18.011 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.288 -2.088 -19.548 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.171 -3.984 -20.210 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.710 -5.168 -18.964 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.419 -4.979 -19.424 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.827 -2.568 -15.139 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.608 -1.555 -14.072 1.00 0.00 C ATOM 1046 C ILE A 73 -1.146 -0.257 -14.789 1.00 0.00 C ATOM 1047 O ILE A 73 0.058 -0.023 -14.954 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.625 -2.077 -12.957 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.174 -3.331 -12.206 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.243 -0.971 -11.935 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.935 -3.052 -10.899 1.00 0.00 C ATOM 0 H ILE A 73 -0.976 -3.055 -15.420 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.522 -1.346 -13.516 1.00 0.00 H new ATOM 0 HB ILE A 73 0.278 -2.374 -13.490 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.836 -3.873 -12.881 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.337 -3.992 -11.982 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.436 -1.384 -11.189 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.247 -0.148 -12.456 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.144 -0.604 -11.443 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.270 -3.994 -10.465 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.276 -2.542 -10.196 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.799 -2.422 -11.109 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.115 0.587 -15.194 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.831 1.875 -15.883 1.00 0.00 C ATOM 1065 C ASP A 74 -1.235 2.877 -14.855 1.00 0.00 C ATOM 1066 O ASP A 74 -1.023 2.548 -13.677 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.096 2.433 -16.597 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.011 1.392 -17.265 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.779 1.055 -18.447 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -4.960 0.910 -16.609 1.00 0.00 O ATOM 0 H ASP A 74 -3.109 0.404 -15.058 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.096 1.712 -16.671 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.685 2.989 -15.867 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.775 3.145 -17.357 1.00 0.00 H new ATOM 1075 N PHE A 75 -0.948 4.109 -15.320 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.382 5.187 -14.464 1.00 0.00 C ATOM 1077 C PHE A 75 -1.456 5.612 -13.426 1.00 0.00 C ATOM 1078 O PHE A 75 -1.132 5.941 -12.278 1.00 0.00 O ATOM 1079 CB PHE A 75 0.096 6.385 -15.336 1.00 0.00 C ATOM 1080 CG PHE A 75 0.978 7.419 -14.607 1.00 0.00 C ATOM 1081 CD1 PHE A 75 0.393 8.509 -13.953 1.00 0.00 C ATOM 1082 CD2 PHE A 75 2.372 7.279 -14.593 1.00 0.00 C ATOM 1083 CE1 PHE A 75 1.189 9.442 -13.291 1.00 0.00 C ATOM 1084 CE2 PHE A 75 3.165 8.214 -13.932 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.574 9.292 -13.279 1.00 0.00 C ATOM 0 H PHE A 75 -1.098 4.390 -16.289 1.00 0.00 H new ATOM 0 HA PHE A 75 0.495 4.822 -13.929 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.652 5.994 -16.188 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.781 6.896 -15.734 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.680 8.628 -13.961 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.834 6.443 -15.097 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.732 10.281 -12.787 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.239 8.103 -13.926 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.190 10.013 -12.762 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.730 5.627 -13.859 1.00 0.00 N ATOM 1096 CA GLU A 76 -3.869 6.104 -13.031 1.00 0.00 C ATOM 1097 C GLU A 76 -4.179 5.064 -11.920 1.00 0.00 C ATOM 1098 O GLU A 76 -4.636 5.425 -10.829 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.109 6.417 -13.920 1.00 0.00 C ATOM 1100 CG GLU A 76 -4.854 6.861 -15.383 1.00 0.00 C ATOM 1101 CD GLU A 76 -6.029 7.604 -16.026 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -6.553 8.558 -15.408 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -6.435 7.236 -17.151 1.00 0.00 O ATOM 0 H GLU A 76 -3.005 5.311 -14.789 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.597 7.040 -12.542 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.737 5.527 -13.945 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.685 7.200 -13.428 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.974 7.504 -15.408 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.623 5.981 -15.983 1.00 0.00 H new ATOM 1110 N GLU A 77 -3.952 3.774 -12.229 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.245 2.643 -11.307 1.00 0.00 C ATOM 1112 C GLU A 77 -3.094 2.486 -10.276 1.00 0.00 C ATOM 1113 O GLU A 77 -3.317 2.002 -9.158 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.496 1.318 -12.087 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.766 0.059 -11.229 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.762 -0.907 -11.876 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.699 -0.443 -12.562 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -5.616 -2.137 -11.696 1.00 0.00 O ATOM 0 H GLU A 77 -3.560 3.478 -13.123 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.164 2.870 -10.767 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.347 1.468 -12.752 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.629 1.123 -12.718 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.825 -0.462 -11.054 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.147 0.365 -10.255 1.00 0.00 H new ATOM 1125 N PHE A 78 -1.870 2.886 -10.667 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.666 2.789 -9.798 1.00 0.00 C ATOM 1127 C PHE A 78 -0.886 3.667 -8.536 1.00 0.00 C ATOM 1128 O PHE A 78 -1.038 3.152 -7.421 1.00 0.00 O ATOM 1129 CB PHE A 78 0.614 3.193 -10.592 1.00 0.00 C ATOM 1130 CG PHE A 78 1.936 3.091 -9.806 1.00 0.00 C ATOM 1131 CD1 PHE A 78 2.027 2.282 -8.667 1.00 0.00 C ATOM 1132 CD2 PHE A 78 3.076 3.769 -10.256 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.245 2.131 -8.007 1.00 0.00 C ATOM 1134 CE2 PHE A 78 4.294 3.612 -9.598 1.00 0.00 C ATOM 1135 CZ PHE A 78 4.377 2.793 -8.476 1.00 0.00 C ATOM 0 H PHE A 78 -1.680 3.284 -11.587 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.516 1.759 -9.473 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.687 2.561 -11.477 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.496 4.219 -10.941 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.149 1.773 -8.298 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.011 4.417 -11.118 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.311 1.501 -7.132 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.173 4.126 -9.958 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.322 2.670 -7.968 1.00 0.00 H new ATOM 1145 N LEU A 79 -0.868 5.000 -8.726 1.00 0.00 N ATOM 1146 CA LEU A 79 -0.953 5.982 -7.612 1.00 0.00 C ATOM 1147 C LEU A 79 -2.203 5.647 -6.751 1.00 0.00 C ATOM 1148 O LEU A 79 -2.226 5.931 -5.547 1.00 0.00 O ATOM 1149 CB LEU A 79 -1.002 7.442 -8.154 1.00 0.00 C ATOM 1150 CG LEU A 79 -0.938 7.662 -9.694 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.464 9.059 -10.081 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.482 7.461 -10.262 1.00 0.00 C ATOM 0 H LEU A 79 -0.795 5.431 -9.647 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.061 5.912 -6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.922 7.900 -7.791 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.174 7.991 -7.705 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.582 6.903 -10.137 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.407 9.183 -11.162 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.500 9.160 -9.759 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.857 9.824 -9.596 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.470 7.626 -11.339 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.165 8.170 -9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.816 6.444 -10.055 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.243 5.074 -7.384 1.00 0.00 N ATOM 1165 CA VAL A 80 -4.514 4.708 -6.702 1.00 0.00 C ATOM 1166 C VAL A 80 -4.182 3.685 -5.581 1.00 0.00 C ATOM 1167 O VAL A 80 -4.616 3.844 -4.432 1.00 0.00 O ATOM 1168 CB VAL A 80 -5.598 4.195 -7.718 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -6.705 3.320 -7.078 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.283 5.346 -8.493 1.00 0.00 C ATOM 0 H VAL A 80 -3.234 4.849 -8.379 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.965 5.589 -6.245 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.023 3.574 -8.405 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.412 3.008 -7.847 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.254 2.439 -6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.229 3.896 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.022 4.933 -9.180 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.777 6.016 -7.789 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.534 5.901 -9.057 1.00 0.00 H new ATOM 1180 N MET A 81 -3.439 2.621 -5.937 1.00 0.00 N ATOM 1181 CA MET A 81 -3.044 1.536 -4.998 1.00 0.00 C ATOM 1182 C MET A 81 -2.506 2.178 -3.689 1.00 0.00 C ATOM 1183 O MET A 81 -3.042 1.934 -2.601 1.00 0.00 O ATOM 1184 CB MET A 81 -2.005 0.579 -5.649 1.00 0.00 C ATOM 1185 CG MET A 81 -2.145 -0.912 -5.286 1.00 0.00 C ATOM 1186 SD MET A 81 -1.183 -1.922 -6.434 1.00 0.00 S ATOM 1187 CE MET A 81 -0.911 -3.412 -5.450 1.00 0.00 C ATOM 0 H MET A 81 -3.091 2.482 -6.886 1.00 0.00 H new ATOM 0 HA MET A 81 -3.913 0.924 -4.757 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.077 0.678 -6.732 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.006 0.910 -5.365 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.801 -1.080 -4.265 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.194 -1.206 -5.321 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.360 -4.143 -6.041 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.337 -3.159 -4.558 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.872 -3.834 -5.155 1.00 0.00 H new ATOM 1197 N MET A 82 -1.422 2.968 -3.810 1.00 0.00 N ATOM 1198 CA MET A 82 -0.715 3.556 -2.640 1.00 0.00 C ATOM 1199 C MET A 82 -1.686 4.459 -1.832 1.00 0.00 C ATOM 1200 O MET A 82 -1.582 4.555 -0.603 1.00 0.00 O ATOM 1201 CB MET A 82 0.545 4.333 -3.117 1.00 0.00 C ATOM 1202 CG MET A 82 0.318 5.822 -3.446 1.00 0.00 C ATOM 1203 SD MET A 82 1.872 6.745 -3.386 1.00 0.00 S ATOM 1204 CE MET A 82 1.844 7.399 -1.705 1.00 0.00 C ATOM 0 H MET A 82 -1.010 3.219 -4.709 1.00 0.00 H new ATOM 0 HA MET A 82 -0.378 2.760 -1.976 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.310 4.262 -2.343 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.942 3.839 -4.004 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.126 5.915 -4.437 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.391 6.250 -2.737 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.743 7.989 -1.529 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.965 8.030 -1.575 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.807 6.574 -0.994 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.615 5.128 -2.540 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.540 6.127 -1.941 1.00 0.00 C ATOM 1216 C VAL A 83 -4.432 5.389 -0.907 1.00 0.00 C ATOM 1217 O VAL A 83 -4.720 5.923 0.172 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.353 6.904 -3.038 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.808 6.395 -3.178 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.399 8.438 -2.827 1.00 0.00 C ATOM 0 H VAL A 83 -2.751 4.996 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.979 6.905 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.797 6.699 -3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.321 6.968 -3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.800 5.341 -3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.329 6.517 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.979 8.898 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.865 8.659 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.385 8.837 -2.838 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.867 4.164 -1.254 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.822 3.369 -0.436 1.00 0.00 C ATOM 1232 C ARG A 84 -5.286 3.310 1.020 1.00 0.00 C ATOM 1233 O ARG A 84 -6.058 3.424 1.981 1.00 0.00 O ATOM 1234 CB ARG A 84 -6.000 1.945 -1.034 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.131 1.813 -2.081 1.00 0.00 C ATOM 1236 CD ARG A 84 -6.815 0.773 -3.172 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.504 -0.518 -2.919 1.00 0.00 N ATOM 1238 CZ ARG A 84 -6.953 -1.573 -2.285 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -6.048 -1.403 -1.330 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -7.342 -2.812 -2.555 1.00 0.00 N ATOM 0 H ARG A 84 -4.571 3.691 -2.108 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.804 3.841 -0.440 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.061 1.641 -1.496 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.196 1.247 -0.220 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.056 1.534 -1.577 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.302 2.783 -2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.118 1.162 -4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.738 0.608 -3.216 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.464 -0.614 -3.249 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.758 -0.462 -1.064 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.642 -2.213 -0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.068 -2.978 -3.251 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.915 -3.599 -2.066 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.964 3.107 1.168 1.00 0.00 N ATOM 1255 CA GLN A 85 -3.316 2.913 2.493 1.00 0.00 C ATOM 1256 C GLN A 85 -3.114 4.306 3.150 1.00 0.00 C ATOM 1257 O GLN A 85 -3.235 4.451 4.372 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.981 2.132 2.329 1.00 0.00 C ATOM 1259 CG GLN A 85 -0.708 2.989 2.123 1.00 0.00 C ATOM 1260 CD GLN A 85 0.045 3.334 3.419 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -0.398 3.010 4.521 1.00 0.00 O ATOM 1262 NE2 GLN A 85 1.192 3.989 3.321 1.00 0.00 N ATOM 0 H GLN A 85 -3.313 3.072 0.384 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.948 2.313 3.148 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.837 1.511 3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -2.081 1.457 1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.031 2.456 1.455 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.987 3.916 1.622 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.552 4.253 2.404 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.716 4.229 4.163 1.00 0.00 H new ATOM 1271 N MET A 86 -2.794 5.315 2.319 1.00 0.00 N ATOM 1272 CA MET A 86 -2.473 6.689 2.789 1.00 0.00 C ATOM 1273 C MET A 86 -3.631 7.177 3.703 1.00 0.00 C ATOM 1274 O MET A 86 -3.409 7.966 4.630 1.00 0.00 O ATOM 1275 CB MET A 86 -2.222 7.652 1.594 1.00 0.00 C ATOM 1276 CG MET A 86 -0.813 8.269 1.513 1.00 0.00 C ATOM 1277 SD MET A 86 -0.931 10.056 1.276 1.00 0.00 S ATOM 1278 CE MET A 86 -1.970 10.149 -0.196 1.00 0.00 C ATOM 0 H MET A 86 -2.749 5.209 1.306 1.00 0.00 H new ATOM 0 HA MET A 86 -1.547 6.678 3.364 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.414 7.109 0.668 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.950 8.462 1.646 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.259 8.051 2.426 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.258 7.821 0.689 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.042 11.186 -0.525 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.530 9.546 -0.990 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.966 9.772 0.037 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.863 6.724 3.409 1.00 0.00 N ATOM 1289 CA LYS A 87 -6.089 7.138 4.143 1.00 0.00 C ATOM 1290 C LYS A 87 -5.812 7.048 5.668 1.00 0.00 C ATOM 1291 O LYS A 87 -5.274 6.047 6.155 1.00 0.00 O ATOM 1292 CB LYS A 87 -7.312 6.249 3.778 1.00 0.00 C ATOM 1293 CG LYS A 87 -8.069 6.653 2.491 1.00 0.00 C ATOM 1294 CD LYS A 87 -9.539 6.188 2.425 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.746 4.667 2.569 1.00 0.00 C ATOM 1296 NZ LYS A 87 -10.012 4.033 1.266 1.00 0.00 N ATOM 0 H LYS A 87 -5.045 6.060 2.657 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.333 8.161 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.971 5.219 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.014 6.267 4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.043 7.739 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.536 6.246 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.100 6.692 3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.964 6.509 1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.860 4.219 3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.579 4.474 3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.146 3.010 1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.871 4.444 0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.206 4.197 0.629 1.00 0.00 H new ATOM 1310 N GLU A 88 -6.187 8.109 6.407 1.00 0.00 N ATOM 1311 CA GLU A 88 -5.992 8.183 7.880 1.00 0.00 C ATOM 1312 C GLU A 88 -7.354 8.536 8.538 1.00 0.00 C ATOM 1313 O GLU A 88 -7.418 9.367 9.451 1.00 0.00 O ATOM 1314 CB GLU A 88 -4.855 9.188 8.224 1.00 0.00 C ATOM 1315 CG GLU A 88 -4.342 9.180 9.684 1.00 0.00 C ATOM 1316 CD GLU A 88 -3.157 10.117 9.938 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -3.376 11.336 10.115 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -2.001 9.639 9.958 1.00 0.00 O ATOM 0 H GLU A 88 -6.631 8.937 6.010 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.669 7.223 8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.011 8.986 7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.207 10.193 7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.161 9.460 10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.051 8.164 9.949 1.00 0.00 H new ATOM 1325 N ASP A 89 -8.437 7.913 8.037 1.00 0.00 N ATOM 1326 CA ASP A 89 -9.816 8.145 8.543 1.00 0.00 C ATOM 1327 C ASP A 89 -10.588 6.798 8.521 1.00 0.00 C ATOM 1328 O ASP A 89 -11.727 6.730 8.046 1.00 0.00 O ATOM 1329 CB ASP A 89 -10.541 9.265 7.742 1.00 0.00 C ATOM 1330 CG ASP A 89 -10.939 8.914 6.298 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -10.245 8.092 5.660 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -11.952 9.456 5.802 1.00 0.00 O ATOM 0 H ASP A 89 -8.389 7.237 7.274 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.774 8.504 9.571 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -11.441 9.549 8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -9.894 10.142 7.716 1.00 0.00 H new ATOM 1337 N ALA A 90 -9.958 5.742 9.069 1.00 0.00 N ATOM 1338 CA ALA A 90 -10.548 4.378 9.114 1.00 0.00 C ATOM 1339 C ALA A 90 -10.887 3.937 7.677 1.00 0.00 C ATOM 1340 O ALA A 90 -12.080 4.079 7.267 1.00 0.00 O ATOM 1341 CB ALA A 90 -11.785 4.346 10.037 1.00 0.00 C ATOM 1342 OXT ALA A 90 -9.981 3.446 6.935 1.00 0.00 O ATOM 0 H ALA A 90 -9.032 5.802 9.492 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.829 3.675 9.534 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.200 3.338 10.054 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.493 4.636 11.046 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.536 5.041 9.663 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 3.965 -2.450 -20.053 1.00 0.00 CA HETATM 1350 CA CA A 92 -6.387 -2.591 -14.174 1.00 0.00 CA