USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 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 3 MET CE :methyl -164:sc= -0.319 (180deg=-0.629) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.098) USER MOD Single : A 7 GLN : amide:sc= -3.48! C(o=-3.5!,f=-3.1!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 153:sc= -0.834 (180deg=-2.4!) USER MOD Single : A 38 SER OG : rot 99:sc= 0.179 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 130:sc= 1.07 USER MOD Single : A 46 MET CE :methyl -127:sc= -6.75! (180deg=-11.5!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -5! C(o=-5!,f=-7.2!) USER MOD Single : A 52 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.4) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -23:sc= 0.467 USER MOD Single : A 81 MET CE :methyl -136:sc= -2.59 (180deg=-5.83!) USER MOD Single : A 82 MET CE :methyl -132:sc= -7! (180deg=-12.8!) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.439 F(o=-1.3,f=-0.44) USER MOD Single : A 86 MET CE :methyl -115:sc= -1.41 (180deg=-3.82!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 63.994 -5.415 -11.625 1.00 0.00 N ATOM 25 CA MET A 3 64.075 -4.519 -10.437 1.00 0.00 C ATOM 26 C MET A 3 62.769 -3.739 -10.273 1.00 0.00 C ATOM 27 O MET A 3 62.148 -3.761 -9.229 1.00 0.00 O ATOM 28 CB MET A 3 65.234 -3.570 -10.739 1.00 0.00 C ATOM 29 CG MET A 3 66.545 -4.202 -10.270 1.00 0.00 C ATOM 30 SD MET A 3 67.907 -3.610 -11.306 1.00 0.00 S ATOM 31 CE MET A 3 68.253 -5.177 -12.143 1.00 0.00 C ATOM 0 HA MET A 3 64.231 -5.072 -9.511 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.280 -3.363 -11.808 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.077 -2.616 -10.236 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.731 -3.947 -9.227 1.00 0.00 H new ATOM 0 HG3 MET A 3 66.477 -5.288 -10.326 1.00 0.00 H new ATOM 0 HE1 MET A 3 69.232 -5.127 -12.619 1.00 0.00 H new ATOM 0 HE2 MET A 3 68.245 -5.988 -11.415 1.00 0.00 H new ATOM 0 HE3 MET A 3 67.490 -5.361 -12.900 1.00 0.00 H new ATOM 41 N THR A 4 62.348 -3.051 -11.298 1.00 0.00 N ATOM 42 CA THR A 4 61.081 -2.271 -11.200 1.00 0.00 C ATOM 43 C THR A 4 59.978 -3.133 -10.584 1.00 0.00 C ATOM 44 O THR A 4 59.116 -2.646 -9.878 1.00 0.00 O ATOM 45 CB THR A 4 60.732 -1.903 -12.643 1.00 0.00 C ATOM 46 OG1 THR A 4 59.716 -0.910 -12.642 1.00 0.00 O ATOM 47 CG2 THR A 4 60.234 -3.146 -13.384 1.00 0.00 C ATOM 0 H THR A 4 62.825 -2.995 -12.198 1.00 0.00 H new ATOM 0 HA THR A 4 61.185 -1.389 -10.568 1.00 0.00 H new ATOM 0 HB THR A 4 61.619 -1.517 -13.145 1.00 0.00 H new ATOM 0 HG1 THR A 4 59.491 -0.671 -13.565 1.00 0.00 H new ATOM 0 HG21 THR A 4 59.986 -2.882 -14.412 1.00 0.00 H new ATOM 0 HG22 THR A 4 61.014 -3.907 -13.383 1.00 0.00 H new ATOM 0 HG23 THR A 4 59.347 -3.536 -12.885 1.00 0.00 H new ATOM 55 N ASP A 5 59.998 -4.412 -10.845 1.00 0.00 N ATOM 56 CA ASP A 5 58.951 -5.307 -10.273 1.00 0.00 C ATOM 57 C ASP A 5 59.188 -5.504 -8.773 1.00 0.00 C ATOM 58 O ASP A 5 58.271 -5.449 -7.978 1.00 0.00 O ATOM 59 CB ASP A 5 59.112 -6.631 -11.019 1.00 0.00 C ATOM 60 CG ASP A 5 58.010 -6.761 -12.073 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.848 -5.835 -12.851 1.00 0.00 O ATOM 62 OD2 ASP A 5 57.346 -7.785 -12.082 1.00 0.00 O ATOM 0 H ASP A 5 60.694 -4.876 -11.429 1.00 0.00 H new ATOM 0 HA ASP A 5 57.948 -4.895 -10.385 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.092 -6.676 -11.495 1.00 0.00 H new ATOM 0 HB3 ASP A 5 59.060 -7.464 -10.318 1.00 0.00 H new ATOM 67 N GLN A 6 60.412 -5.733 -8.383 1.00 0.00 N ATOM 68 CA GLN A 6 60.707 -5.933 -6.935 1.00 0.00 C ATOM 69 C GLN A 6 60.278 -4.701 -6.134 1.00 0.00 C ATOM 70 O GLN A 6 60.084 -4.764 -4.936 1.00 0.00 O ATOM 71 CB GLN A 6 62.223 -6.121 -6.862 1.00 0.00 C ATOM 72 CG GLN A 6 62.592 -6.770 -5.527 1.00 0.00 C ATOM 73 CD GLN A 6 64.077 -7.139 -5.532 1.00 0.00 C ATOM 74 OE1 GLN A 6 64.929 -6.273 -5.582 1.00 0.00 O ATOM 75 NE2 GLN A 6 64.426 -8.395 -5.482 1.00 0.00 N ATOM 0 H GLN A 6 61.220 -5.790 -9.003 1.00 0.00 H new ATOM 0 HA GLN A 6 60.171 -6.785 -6.517 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.563 -6.745 -7.688 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.725 -5.159 -6.962 1.00 0.00 H new ATOM 0 HG2 GLN A 6 62.379 -6.085 -4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.986 -7.661 -5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 6 63.711 -9.122 -5.440 1.00 0.00 H new ATOM 0 HE22 GLN A 6 65.413 -8.650 -5.485 1.00 0.00 H new ATOM 84 N GLN A 7 60.131 -3.582 -6.786 1.00 0.00 N ATOM 85 CA GLN A 7 59.715 -2.346 -6.064 1.00 0.00 C ATOM 86 C GLN A 7 58.257 -2.461 -5.611 1.00 0.00 C ATOM 87 O GLN A 7 57.791 -1.704 -4.784 1.00 0.00 O ATOM 88 CB GLN A 7 59.871 -1.218 -7.085 1.00 0.00 C ATOM 89 CG GLN A 7 59.972 0.121 -6.355 1.00 0.00 C ATOM 90 CD GLN A 7 59.002 1.123 -6.984 1.00 0.00 C ATOM 91 OE1 GLN A 7 57.933 1.363 -6.460 1.00 0.00 O ATOM 92 NE2 GLN A 7 59.332 1.723 -8.094 1.00 0.00 N ATOM 0 H GLN A 7 60.281 -3.469 -7.789 1.00 0.00 H new ATOM 0 HA GLN A 7 60.312 -2.172 -5.169 1.00 0.00 H new ATOM 0 HB2 GLN A 7 60.762 -1.382 -7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.020 -1.210 -7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 7 59.740 -0.011 -5.298 1.00 0.00 H new ATOM 0 HG3 GLN A 7 60.992 0.502 -6.412 1.00 0.00 H new ATOM 0 HE21 GLN A 7 60.230 1.522 -8.535 1.00 0.00 H new ATOM 0 HE22 GLN A 7 58.693 2.393 -8.521 1.00 0.00 H new ATOM 101 N ALA A 8 57.533 -3.404 -6.149 1.00 0.00 N ATOM 102 CA ALA A 8 56.105 -3.568 -5.750 1.00 0.00 C ATOM 103 C ALA A 8 56.009 -4.333 -4.427 1.00 0.00 C ATOM 104 O ALA A 8 55.375 -3.891 -3.490 1.00 0.00 O ATOM 105 CB ALA A 8 55.468 -4.372 -6.884 1.00 0.00 C ATOM 0 H ALA A 8 57.868 -4.068 -6.847 1.00 0.00 H new ATOM 0 HA ALA A 8 55.605 -2.611 -5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.413 -4.536 -6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.564 -3.821 -7.819 1.00 0.00 H new ATOM 0 HB3 ALA A 8 55.973 -5.334 -6.976 1.00 0.00 H new ATOM 111 N GLU A 9 56.632 -5.475 -4.344 1.00 0.00 N ATOM 112 CA GLU A 9 56.575 -6.261 -3.078 1.00 0.00 C ATOM 113 C GLU A 9 57.667 -5.788 -2.115 1.00 0.00 C ATOM 114 O GLU A 9 57.768 -6.254 -0.997 1.00 0.00 O ATOM 115 CB GLU A 9 56.817 -7.711 -3.499 1.00 0.00 C ATOM 116 CG GLU A 9 55.540 -8.526 -3.280 1.00 0.00 C ATOM 117 CD GLU A 9 55.215 -9.318 -4.548 1.00 0.00 C ATOM 118 OE1 GLU A 9 56.108 -9.975 -5.057 1.00 0.00 O ATOM 119 OE2 GLU A 9 54.079 -9.253 -4.988 1.00 0.00 O ATOM 0 H GLU A 9 57.177 -5.898 -5.095 1.00 0.00 H new ATOM 0 HA GLU A 9 55.623 -6.144 -2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.112 -7.752 -4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.637 -8.137 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.670 -9.205 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 9 54.711 -7.863 -3.030 1.00 0.00 H new ATOM 126 N ALA A 10 58.486 -4.864 -2.541 1.00 0.00 N ATOM 127 CA ALA A 10 59.571 -4.359 -1.653 1.00 0.00 C ATOM 128 C ALA A 10 59.008 -3.337 -0.661 1.00 0.00 C ATOM 129 O ALA A 10 59.478 -3.213 0.452 1.00 0.00 O ATOM 130 CB ALA A 10 60.574 -3.694 -2.594 1.00 0.00 C ATOM 0 H ALA A 10 58.450 -4.437 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 10 60.029 -5.155 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.407 -3.295 -2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 10 60.947 -4.429 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.085 -2.883 -3.133 1.00 0.00 H new ATOM 136 N ARG A 11 57.999 -2.611 -1.056 1.00 0.00 N ATOM 137 CA ARG A 11 57.400 -1.603 -0.127 1.00 0.00 C ATOM 138 C ARG A 11 56.077 -2.131 0.433 1.00 0.00 C ATOM 139 O ARG A 11 55.491 -1.546 1.323 1.00 0.00 O ATOM 140 CB ARG A 11 57.172 -0.307 -0.935 1.00 0.00 C ATOM 141 CG ARG A 11 57.104 -0.583 -2.442 1.00 0.00 C ATOM 142 CD ARG A 11 55.871 -1.432 -2.758 1.00 0.00 C ATOM 143 NE ARG A 11 54.733 -0.473 -2.757 1.00 0.00 N ATOM 144 CZ ARG A 11 53.522 -0.896 -3.001 1.00 0.00 C ATOM 145 NH1 ARG A 11 52.909 -1.654 -2.132 1.00 0.00 N ATOM 146 NH2 ARG A 11 52.925 -0.562 -4.112 1.00 0.00 N ATOM 0 H ARG A 11 57.563 -2.669 -1.976 1.00 0.00 H new ATOM 0 HA ARG A 11 58.063 -1.409 0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.246 0.167 -0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 11 57.979 0.397 -0.730 1.00 0.00 H new ATOM 0 HG2 ARG A 11 57.060 0.357 -2.992 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.006 -1.101 -2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 11 55.969 -1.927 -3.724 1.00 0.00 H new ATOM 0 HD3 ARG A 11 55.729 -2.214 -2.012 1.00 0.00 H new ATOM 0 HE ARG A 11 54.899 0.515 -2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 11 53.376 -1.915 -1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 11 51.963 -1.985 -2.322 1.00 0.00 H new ATOM 0 HH21 ARG A 11 53.404 0.030 -4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 11 51.979 -0.893 -4.302 1.00 0.00 H new ATOM 160 N ALA A 12 55.605 -3.236 -0.076 1.00 0.00 N ATOM 161 CA ALA A 12 54.323 -3.802 0.435 1.00 0.00 C ATOM 162 C ALA A 12 54.576 -4.593 1.721 1.00 0.00 C ATOM 163 O ALA A 12 53.660 -4.927 2.447 1.00 0.00 O ATOM 164 CB ALA A 12 53.826 -4.726 -0.677 1.00 0.00 C ATOM 0 H ALA A 12 56.050 -3.771 -0.822 1.00 0.00 H new ATOM 0 HA ALA A 12 53.593 -3.029 0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.883 -5.183 -0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.675 -4.149 -1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.565 -5.506 -0.859 1.00 0.00 H new ATOM 170 N PHE A 13 55.814 -4.893 2.009 1.00 0.00 N ATOM 171 CA PHE A 13 56.131 -5.659 3.248 1.00 0.00 C ATOM 172 C PHE A 13 56.121 -4.723 4.461 1.00 0.00 C ATOM 173 O PHE A 13 55.931 -5.149 5.583 1.00 0.00 O ATOM 174 CB PHE A 13 57.535 -6.227 3.008 1.00 0.00 C ATOM 175 CG PHE A 13 58.174 -6.601 4.326 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.673 -7.677 5.068 1.00 0.00 C ATOM 177 CD2 PHE A 13 59.267 -5.869 4.803 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.267 -8.022 6.288 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.861 -6.213 6.023 1.00 0.00 C ATOM 180 CZ PHE A 13 59.361 -7.289 6.766 1.00 0.00 C ATOM 0 H PHE A 13 56.621 -4.640 1.438 1.00 0.00 H new ATOM 0 HA PHE A 13 55.405 -6.446 3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.476 -7.103 2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.151 -5.490 2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 13 56.829 -8.241 4.700 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.652 -5.039 4.230 1.00 0.00 H new ATOM 0 HE1 PHE A 13 57.882 -8.853 6.860 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.705 -5.648 6.391 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.819 -7.554 7.708 1.00 0.00 H new ATOM 190 N LEU A 14 56.320 -3.452 4.243 1.00 0.00 N ATOM 191 CA LEU A 14 56.319 -2.491 5.383 1.00 0.00 C ATOM 192 C LEU A 14 55.062 -1.620 5.336 1.00 0.00 C ATOM 193 O LEU A 14 54.778 -0.974 4.346 1.00 0.00 O ATOM 194 CB LEU A 14 57.573 -1.640 5.185 1.00 0.00 C ATOM 195 CG LEU A 14 58.796 -2.552 5.072 1.00 0.00 C ATOM 196 CD1 LEU A 14 59.827 -1.912 4.141 1.00 0.00 C ATOM 197 CD2 LEU A 14 59.415 -2.746 6.459 1.00 0.00 C ATOM 0 H LEU A 14 56.483 -3.037 3.326 1.00 0.00 H new ATOM 0 HA LEU A 14 56.319 -2.994 6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 14 57.475 -1.032 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 14 57.695 -0.953 6.022 1.00 0.00 H new ATOM 0 HG LEU A 14 58.493 -3.518 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 14 60.698 -2.562 4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 14 59.388 -1.771 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 14 60.131 -0.946 4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 14 60.287 -3.396 6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 14 59.718 -1.779 6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 14 58.682 -3.202 7.124 1.00 0.00 H new ATOM 209 N SER A 15 54.305 -1.598 6.398 1.00 0.00 N ATOM 210 CA SER A 15 53.065 -0.770 6.413 1.00 0.00 C ATOM 211 C SER A 15 53.424 0.717 6.483 1.00 0.00 C ATOM 212 O SER A 15 54.504 1.086 6.899 1.00 0.00 O ATOM 213 CB SER A 15 52.317 -1.202 7.674 1.00 0.00 C ATOM 214 OG SER A 15 52.100 -2.607 7.632 1.00 0.00 O ATOM 0 H SER A 15 54.491 -2.117 7.256 1.00 0.00 H new ATOM 0 HA SER A 15 52.463 -0.909 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.893 -0.937 8.561 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.364 -0.677 7.744 1.00 0.00 H new ATOM 0 HG SER A 15 51.622 -2.888 8.440 1.00 0.00 H new ATOM 220 N GLU A 16 52.526 1.574 6.080 1.00 0.00 N ATOM 221 CA GLU A 16 52.817 3.035 6.124 1.00 0.00 C ATOM 222 C GLU A 16 53.511 3.396 7.440 1.00 0.00 C ATOM 223 O GLU A 16 54.407 4.215 7.477 1.00 0.00 O ATOM 224 CB GLU A 16 51.450 3.715 6.033 1.00 0.00 C ATOM 225 CG GLU A 16 51.631 5.165 5.582 1.00 0.00 C ATOM 226 CD GLU A 16 50.259 5.801 5.346 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.401 5.643 6.198 1.00 0.00 O ATOM 228 OE2 GLU A 16 50.093 6.435 4.317 1.00 0.00 O ATOM 0 H GLU A 16 51.604 1.326 5.722 1.00 0.00 H new ATOM 0 HA GLU A 16 53.481 3.348 5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.812 3.181 5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.951 3.684 7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.179 5.727 6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.223 5.201 4.667 1.00 0.00 H new ATOM 235 N GLU A 17 53.101 2.790 8.521 1.00 0.00 N ATOM 236 CA GLU A 17 53.737 3.097 9.835 1.00 0.00 C ATOM 237 C GLU A 17 55.262 3.048 9.709 1.00 0.00 C ATOM 238 O GLU A 17 55.951 3.998 10.026 1.00 0.00 O ATOM 239 CB GLU A 17 53.240 2.001 10.778 1.00 0.00 C ATOM 240 CG GLU A 17 51.717 2.080 10.894 1.00 0.00 C ATOM 241 CD GLU A 17 51.320 2.166 12.369 1.00 0.00 C ATOM 242 OE1 GLU A 17 51.686 1.272 13.114 1.00 0.00 O ATOM 243 OE2 GLU A 17 50.659 3.126 12.729 1.00 0.00 O ATOM 0 H GLU A 17 52.354 2.096 8.552 1.00 0.00 H new ATOM 0 HA GLU A 17 53.482 4.093 10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 17 53.536 1.022 10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.697 2.117 11.761 1.00 0.00 H new ATOM 0 HG2 GLU A 17 51.346 2.952 10.355 1.00 0.00 H new ATOM 0 HG3 GLU A 17 51.261 1.203 10.434 1.00 0.00 H new ATOM 250 N MET A 18 55.795 1.949 9.252 1.00 0.00 N ATOM 251 CA MET A 18 57.276 1.842 9.108 1.00 0.00 C ATOM 252 C MET A 18 57.745 2.624 7.879 1.00 0.00 C ATOM 253 O MET A 18 58.699 3.375 7.937 1.00 0.00 O ATOM 254 CB MET A 18 57.553 0.350 8.935 1.00 0.00 C ATOM 255 CG MET A 18 59.027 0.142 8.583 1.00 0.00 C ATOM 256 SD MET A 18 59.686 -1.241 9.546 1.00 0.00 S ATOM 257 CE MET A 18 60.026 -0.319 11.065 1.00 0.00 C ATOM 0 H MET A 18 55.270 1.120 8.972 1.00 0.00 H new ATOM 0 HA MET A 18 57.805 2.255 9.967 1.00 0.00 H new ATOM 0 HB2 MET A 18 57.308 -0.185 9.853 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.919 -0.060 8.149 1.00 0.00 H new ATOM 0 HG2 MET A 18 59.133 -0.060 7.517 1.00 0.00 H new ATOM 0 HG3 MET A 18 59.594 1.049 8.793 1.00 0.00 H new ATOM 0 HE1 MET A 18 60.447 -0.992 11.812 1.00 0.00 H new ATOM 0 HE2 MET A 18 60.737 0.480 10.854 1.00 0.00 H new ATOM 0 HE3 MET A 18 59.099 0.111 11.445 1.00 0.00 H new ATOM 267 N ILE A 19 57.082 2.459 6.766 1.00 0.00 N ATOM 268 CA ILE A 19 57.496 3.198 5.538 1.00 0.00 C ATOM 269 C ILE A 19 57.822 4.651 5.889 1.00 0.00 C ATOM 270 O ILE A 19 58.684 5.265 5.294 1.00 0.00 O ATOM 271 CB ILE A 19 56.287 3.127 4.604 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.209 1.730 3.984 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.438 4.168 3.493 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.836 1.533 3.337 1.00 0.00 C ATOM 0 H ILE A 19 56.274 1.847 6.654 1.00 0.00 H new ATOM 0 HA ILE A 19 58.388 2.773 5.077 1.00 0.00 H new ATOM 0 HB ILE A 19 55.377 3.329 5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.995 1.607 3.239 1.00 0.00 H new ATOM 0 HG13 ILE A 19 56.374 0.971 4.749 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.576 4.117 2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.499 5.163 3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.347 3.966 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.781 0.538 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.059 1.638 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.689 2.283 2.560 1.00 0.00 H new ATOM 286 N ALA A 20 57.141 5.201 6.857 1.00 0.00 N ATOM 287 CA ALA A 20 57.417 6.611 7.253 1.00 0.00 C ATOM 288 C ALA A 20 58.748 6.688 8.003 1.00 0.00 C ATOM 289 O ALA A 20 59.493 7.638 7.870 1.00 0.00 O ATOM 290 CB ALA A 20 56.257 6.996 8.172 1.00 0.00 C ATOM 0 H ALA A 20 56.406 4.736 7.390 1.00 0.00 H new ATOM 0 HA ALA A 20 57.494 7.280 6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 20 56.386 8.025 8.509 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.317 6.907 7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 20 56.241 6.331 9.035 1.00 0.00 H new ATOM 296 N GLU A 21 59.053 5.691 8.789 1.00 0.00 N ATOM 297 CA GLU A 21 60.338 5.704 9.545 1.00 0.00 C ATOM 298 C GLU A 21 61.518 5.781 8.573 1.00 0.00 C ATOM 299 O GLU A 21 62.491 6.467 8.816 1.00 0.00 O ATOM 300 CB GLU A 21 60.359 4.380 10.310 1.00 0.00 C ATOM 301 CG GLU A 21 61.727 4.195 10.973 1.00 0.00 C ATOM 302 CD GLU A 21 61.613 4.487 12.470 1.00 0.00 C ATOM 303 OE1 GLU A 21 60.563 4.209 13.029 1.00 0.00 O ATOM 304 OE2 GLU A 21 62.575 4.981 13.034 1.00 0.00 O ATOM 0 H GLU A 21 58.468 4.869 8.940 1.00 0.00 H new ATOM 0 HA GLU A 21 60.418 6.562 10.213 1.00 0.00 H new ATOM 0 HB2 GLU A 21 59.573 4.372 11.065 1.00 0.00 H new ATOM 0 HB3 GLU A 21 60.157 3.552 9.631 1.00 0.00 H new ATOM 0 HG2 GLU A 21 62.084 3.177 10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 21 62.457 4.863 10.516 1.00 0.00 H new ATOM 311 N PHE A 22 61.439 5.083 7.474 1.00 0.00 N ATOM 312 CA PHE A 22 62.555 5.117 6.486 1.00 0.00 C ATOM 313 C PHE A 22 62.551 6.450 5.734 1.00 0.00 C ATOM 314 O PHE A 22 63.562 6.889 5.223 1.00 0.00 O ATOM 315 CB PHE A 22 62.273 3.956 5.527 1.00 0.00 C ATOM 316 CG PHE A 22 62.135 2.661 6.303 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.463 2.611 7.665 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.677 1.508 5.653 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.332 1.411 8.374 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.547 0.307 6.363 1.00 0.00 C ATOM 321 CZ PHE A 22 61.875 0.260 7.723 1.00 0.00 C ATOM 0 H PHE A 22 60.650 4.490 7.217 1.00 0.00 H new ATOM 0 HA PHE A 22 63.532 5.023 6.961 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.359 4.152 4.965 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.081 3.869 4.801 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.817 3.499 8.168 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.424 1.545 4.604 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.584 1.374 9.424 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.194 -0.582 5.861 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.775 -0.666 8.270 1.00 0.00 H new ATOM 331 N LYS A 23 61.420 7.098 5.665 1.00 0.00 N ATOM 332 CA LYS A 23 61.351 8.404 4.948 1.00 0.00 C ATOM 333 C LYS A 23 62.233 9.439 5.651 1.00 0.00 C ATOM 334 O LYS A 23 63.337 9.718 5.227 1.00 0.00 O ATOM 335 CB LYS A 23 59.880 8.815 5.020 1.00 0.00 C ATOM 336 CG LYS A 23 59.069 7.999 4.011 1.00 0.00 C ATOM 337 CD LYS A 23 59.349 8.509 2.597 1.00 0.00 C ATOM 338 CE LYS A 23 58.187 9.388 2.130 1.00 0.00 C ATOM 339 NZ LYS A 23 58.206 9.291 0.644 1.00 0.00 N ATOM 0 H LYS A 23 60.541 6.780 6.074 1.00 0.00 H new ATOM 0 HA LYS A 23 61.705 8.332 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.496 8.653 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.779 9.879 4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.331 6.944 4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 23 58.005 8.080 4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 23 60.278 9.079 2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.479 7.668 1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 23 57.238 9.038 2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.314 10.419 2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.437 9.868 0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 59.119 9.638 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 58.076 8.299 0.359 1.00 0.00 H new ATOM 353 N ALA A 24 61.752 10.010 6.721 1.00 0.00 N ATOM 354 CA ALA A 24 62.562 11.028 7.451 1.00 0.00 C ATOM 355 C ALA A 24 64.013 10.556 7.582 1.00 0.00 C ATOM 356 O ALA A 24 64.925 11.350 7.698 1.00 0.00 O ATOM 357 CB ALA A 24 61.907 11.139 8.828 1.00 0.00 C ATOM 0 H ALA A 24 60.834 9.816 7.122 1.00 0.00 H new ATOM 0 HA ALA A 24 62.587 11.986 6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.446 11.871 9.429 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.870 11.456 8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.937 10.169 9.324 1.00 0.00 H new ATOM 363 N ALA A 25 64.232 9.270 7.566 1.00 0.00 N ATOM 364 CA ALA A 25 65.625 8.750 7.691 1.00 0.00 C ATOM 365 C ALA A 25 66.323 8.764 6.328 1.00 0.00 C ATOM 366 O ALA A 25 67.385 9.333 6.170 1.00 0.00 O ATOM 367 CB ALA A 25 65.467 7.316 8.198 1.00 0.00 C ATOM 0 H ALA A 25 63.509 8.557 7.472 1.00 0.00 H new ATOM 0 HA ALA A 25 66.233 9.357 8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.451 6.862 8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.953 7.324 9.159 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.885 6.738 7.480 1.00 0.00 H new ATOM 373 N PHE A 26 65.735 8.141 5.343 1.00 0.00 N ATOM 374 CA PHE A 26 66.368 8.120 3.992 1.00 0.00 C ATOM 375 C PHE A 26 66.714 9.542 3.544 1.00 0.00 C ATOM 376 O PHE A 26 67.762 9.789 2.982 1.00 0.00 O ATOM 377 CB PHE A 26 65.314 7.507 3.069 1.00 0.00 C ATOM 378 CG PHE A 26 65.871 7.403 1.668 1.00 0.00 C ATOM 379 CD1 PHE A 26 65.982 8.549 0.872 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.276 6.160 1.167 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.498 8.452 -0.426 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.792 6.063 -0.131 1.00 0.00 C ATOM 383 CZ PHE A 26 66.903 7.210 -0.928 1.00 0.00 C ATOM 0 H PHE A 26 64.846 7.647 5.414 1.00 0.00 H new ATOM 0 HA PHE A 26 67.298 7.552 3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.027 6.520 3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.413 8.121 3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.670 9.508 1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 26 66.190 5.276 1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.584 9.336 -1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 26 67.104 5.104 -0.518 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.301 7.136 -1.929 1.00 0.00 H new ATOM 393 N ASP A 27 65.838 10.480 3.785 1.00 0.00 N ATOM 394 CA ASP A 27 66.118 11.886 3.370 1.00 0.00 C ATOM 395 C ASP A 27 67.298 12.451 4.164 1.00 0.00 C ATOM 396 O ASP A 27 67.789 13.526 3.882 1.00 0.00 O ATOM 397 CB ASP A 27 64.836 12.655 3.692 1.00 0.00 C ATOM 398 CG ASP A 27 65.016 14.127 3.316 1.00 0.00 C ATOM 399 OD1 ASP A 27 65.804 14.399 2.424 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.363 14.957 3.925 1.00 0.00 O ATOM 0 H ASP A 27 64.942 10.335 4.250 1.00 0.00 H new ATOM 0 HA ASP A 27 66.385 11.959 2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 27 63.996 12.229 3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 27 64.602 12.566 4.753 1.00 0.00 H new ATOM 405 N MET A 28 67.759 11.737 5.154 1.00 0.00 N ATOM 406 CA MET A 28 68.907 12.239 5.961 1.00 0.00 C ATOM 407 C MET A 28 70.150 12.386 5.078 1.00 0.00 C ATOM 408 O MET A 28 71.053 13.140 5.382 1.00 0.00 O ATOM 409 CB MET A 28 69.136 11.173 7.034 1.00 0.00 C ATOM 410 CG MET A 28 67.934 11.134 7.981 1.00 0.00 C ATOM 411 SD MET A 28 68.136 12.390 9.268 1.00 0.00 S ATOM 412 CE MET A 28 66.436 12.356 9.889 1.00 0.00 C ATOM 0 H MET A 28 67.391 10.829 5.439 1.00 0.00 H new ATOM 0 HA MET A 28 68.708 13.218 6.396 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.277 10.198 6.568 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.045 11.394 7.593 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.014 11.313 7.425 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.846 10.146 8.433 1.00 0.00 H new ATOM 0 HE1 MET A 28 66.425 12.660 10.936 1.00 0.00 H new ATOM 0 HE2 MET A 28 65.822 13.042 9.306 1.00 0.00 H new ATOM 0 HE3 MET A 28 66.036 11.346 9.800 1.00 0.00 H new ATOM 422 N PHE A 29 70.207 11.667 3.990 1.00 0.00 N ATOM 423 CA PHE A 29 71.399 11.765 3.095 1.00 0.00 C ATOM 424 C PHE A 29 70.971 12.191 1.687 1.00 0.00 C ATOM 425 O PHE A 29 71.640 11.907 0.714 1.00 0.00 O ATOM 426 CB PHE A 29 72.010 10.357 3.061 1.00 0.00 C ATOM 427 CG PHE A 29 71.806 9.666 4.391 1.00 0.00 C ATOM 428 CD1 PHE A 29 72.728 9.852 5.429 1.00 0.00 C ATOM 429 CD2 PHE A 29 70.690 8.845 4.586 1.00 0.00 C ATOM 430 CE1 PHE A 29 72.532 9.216 6.660 1.00 0.00 C ATOM 431 CE2 PHE A 29 70.496 8.207 5.816 1.00 0.00 C ATOM 432 CZ PHE A 29 71.416 8.393 6.854 1.00 0.00 C ATOM 0 H PHE A 29 69.483 11.018 3.682 1.00 0.00 H new ATOM 0 HA PHE A 29 72.113 12.506 3.455 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.549 9.772 2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.075 10.420 2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 29 73.590 10.486 5.279 1.00 0.00 H new ATOM 0 HD2 PHE A 29 69.978 8.704 3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 29 73.242 9.360 7.461 1.00 0.00 H new ATOM 0 HE2 PHE A 29 69.636 7.571 5.964 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.265 7.902 7.804 1.00 0.00 H new ATOM 442 N ASP A 30 69.861 12.868 1.571 1.00 0.00 N ATOM 443 CA ASP A 30 69.396 13.307 0.223 1.00 0.00 C ATOM 444 C ASP A 30 69.672 14.800 0.025 1.00 0.00 C ATOM 445 O ASP A 30 68.987 15.475 -0.717 1.00 0.00 O ATOM 446 CB ASP A 30 67.890 13.035 0.216 1.00 0.00 C ATOM 447 CG ASP A 30 67.639 11.557 -0.087 1.00 0.00 C ATOM 448 OD1 ASP A 30 67.726 11.186 -1.246 1.00 0.00 O ATOM 449 OD2 ASP A 30 67.361 10.821 0.845 1.00 0.00 O ATOM 0 H ASP A 30 69.257 13.136 2.348 1.00 0.00 H new ATOM 0 HA ASP A 30 69.910 12.781 -0.581 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.458 13.297 1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.401 13.659 -0.532 1.00 0.00 H new ATOM 490 N GLY A 35 66.001 12.578 -4.118 1.00 0.00 N ATOM 491 CA GLY A 35 65.141 11.360 -4.147 1.00 0.00 C ATOM 492 C GLY A 35 66.021 10.108 -4.155 1.00 0.00 C ATOM 493 O GLY A 35 65.544 9.005 -4.338 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.482 11.348 -3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.504 11.374 -5.031 1.00 0.00 H new ATOM 497 N ASP A 36 67.302 10.265 -3.958 1.00 0.00 N ATOM 498 CA ASP A 36 68.204 9.077 -3.956 1.00 0.00 C ATOM 499 C ASP A 36 69.568 9.444 -3.364 1.00 0.00 C ATOM 500 O ASP A 36 70.241 10.338 -3.838 1.00 0.00 O ATOM 501 CB ASP A 36 68.348 8.686 -5.427 1.00 0.00 C ATOM 502 CG ASP A 36 68.651 9.933 -6.260 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.785 10.381 -6.230 1.00 0.00 O ATOM 504 OD2 ASP A 36 67.744 10.418 -6.916 1.00 0.00 O ATOM 0 H ASP A 36 67.762 11.161 -3.799 1.00 0.00 H new ATOM 0 HA ASP A 36 67.807 8.261 -3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.148 7.955 -5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.431 8.214 -5.780 1.00 0.00 H new ATOM 509 N ILE A 37 69.982 8.758 -2.332 1.00 0.00 N ATOM 510 CA ILE A 37 71.304 9.065 -1.714 1.00 0.00 C ATOM 511 C ILE A 37 72.405 8.248 -2.397 1.00 0.00 C ATOM 512 O ILE A 37 72.156 7.196 -2.951 1.00 0.00 O ATOM 513 CB ILE A 37 71.161 8.661 -0.246 1.00 0.00 C ATOM 514 CG1 ILE A 37 70.927 7.152 -0.145 1.00 0.00 C ATOM 515 CG2 ILE A 37 69.974 9.400 0.374 1.00 0.00 C ATOM 516 CD1 ILE A 37 70.974 6.727 1.323 1.00 0.00 C ATOM 0 H ILE A 37 69.462 7.999 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 37 71.577 10.115 -1.818 1.00 0.00 H new ATOM 0 HB ILE A 37 72.075 8.922 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 37 69.961 6.893 -0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 37 71.687 6.616 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 37 69.872 9.112 1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.140 10.475 0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.062 9.140 -0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 37 70.807 5.652 1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 37 71.950 6.972 1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.198 7.253 1.879 1.00 0.00 H new ATOM 528 N SER A 38 73.619 8.726 -2.365 1.00 0.00 N ATOM 529 CA SER A 38 74.730 7.977 -3.018 1.00 0.00 C ATOM 530 C SER A 38 74.801 6.549 -2.470 1.00 0.00 C ATOM 531 O SER A 38 74.756 6.328 -1.276 1.00 0.00 O ATOM 532 CB SER A 38 75.995 8.754 -2.654 1.00 0.00 C ATOM 533 OG SER A 38 75.643 10.086 -2.306 1.00 0.00 O ATOM 0 H SER A 38 73.889 9.601 -1.916 1.00 0.00 H new ATOM 0 HA SER A 38 74.596 7.895 -4.097 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.505 8.271 -1.821 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.689 8.757 -3.495 1.00 0.00 H new ATOM 0 HG SER A 38 75.604 10.170 -1.330 1.00 0.00 H new ATOM 539 N THR A 39 74.910 5.577 -3.335 1.00 0.00 N ATOM 540 CA THR A 39 74.982 4.165 -2.864 1.00 0.00 C ATOM 541 C THR A 39 75.964 4.050 -1.695 1.00 0.00 C ATOM 542 O THR A 39 75.813 3.217 -0.824 1.00 0.00 O ATOM 543 CB THR A 39 75.488 3.371 -4.069 1.00 0.00 C ATOM 544 OG1 THR A 39 76.784 3.830 -4.427 1.00 0.00 O ATOM 545 CG2 THR A 39 74.533 3.564 -5.248 1.00 0.00 C ATOM 0 H THR A 39 74.952 5.700 -4.347 1.00 0.00 H new ATOM 0 HA THR A 39 74.019 3.797 -2.509 1.00 0.00 H new ATOM 0 HB THR A 39 75.535 2.313 -3.812 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.110 3.321 -5.198 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.895 2.998 -6.106 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.539 3.211 -4.973 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.483 4.622 -5.506 1.00 0.00 H new ATOM 553 N LYS A 40 76.969 4.882 -1.670 1.00 0.00 N ATOM 554 CA LYS A 40 77.960 4.822 -0.557 1.00 0.00 C ATOM 555 C LYS A 40 77.252 4.991 0.790 1.00 0.00 C ATOM 556 O LYS A 40 77.687 4.478 1.801 1.00 0.00 O ATOM 557 CB LYS A 40 78.911 5.991 -0.811 1.00 0.00 C ATOM 558 CG LYS A 40 80.293 5.455 -1.184 1.00 0.00 C ATOM 559 CD LYS A 40 80.811 6.196 -2.418 1.00 0.00 C ATOM 560 CE LYS A 40 82.322 5.989 -2.541 1.00 0.00 C ATOM 561 NZ LYS A 40 82.550 5.686 -3.982 1.00 0.00 N ATOM 0 H LYS A 40 77.147 5.601 -2.372 1.00 0.00 H new ATOM 0 HA LYS A 40 78.486 3.868 -0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 40 78.525 6.620 -1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 40 78.980 6.617 0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.983 5.587 -0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.238 4.385 -1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 40 80.309 5.829 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 40 80.584 7.259 -2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.869 6.880 -2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.662 5.171 -1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 83.565 5.531 -4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 82.022 4.830 -4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 82.223 6.486 -4.561 1.00 0.00 H new ATOM 575 N GLU A 41 76.164 5.711 0.810 1.00 0.00 N ATOM 576 CA GLU A 41 75.428 5.917 2.089 1.00 0.00 C ATOM 577 C GLU A 41 74.353 4.840 2.260 1.00 0.00 C ATOM 578 O GLU A 41 73.794 4.672 3.326 1.00 0.00 O ATOM 579 CB GLU A 41 74.788 7.299 1.954 1.00 0.00 C ATOM 580 CG GLU A 41 74.020 7.635 3.233 1.00 0.00 C ATOM 581 CD GLU A 41 75.001 8.100 4.310 1.00 0.00 C ATOM 582 OE1 GLU A 41 75.592 7.247 4.953 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.146 9.300 4.475 1.00 0.00 O ATOM 0 H GLU A 41 75.753 6.166 -0.005 1.00 0.00 H new ATOM 0 HA GLU A 41 76.081 5.852 2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 41 75.556 8.050 1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.114 7.317 1.098 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.285 8.415 3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.470 6.760 3.580 1.00 0.00 H new ATOM 590 N LEU A 42 74.062 4.108 1.221 1.00 0.00 N ATOM 591 CA LEU A 42 73.024 3.042 1.326 1.00 0.00 C ATOM 592 C LEU A 42 73.280 2.177 2.563 1.00 0.00 C ATOM 593 O LEU A 42 72.385 1.537 3.080 1.00 0.00 O ATOM 594 CB LEU A 42 73.179 2.211 0.051 1.00 0.00 C ATOM 595 CG LEU A 42 71.955 1.311 -0.124 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.222 1.692 -1.412 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.404 -0.149 -0.207 1.00 0.00 C ATOM 0 H LEU A 42 74.497 4.201 0.303 1.00 0.00 H new ATOM 0 HA LEU A 42 72.019 3.452 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.287 2.867 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.084 1.606 0.107 1.00 0.00 H new ATOM 0 HG LEU A 42 71.286 1.438 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.349 1.051 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.902 2.733 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.891 1.564 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.532 -0.791 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.073 -0.276 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.927 -0.421 0.710 1.00 0.00 H new ATOM 609 N GLY A 43 74.494 2.150 3.040 1.00 0.00 N ATOM 610 CA GLY A 43 74.805 1.324 4.242 1.00 0.00 C ATOM 611 C GLY A 43 74.295 2.034 5.496 1.00 0.00 C ATOM 612 O GLY A 43 73.873 1.407 6.447 1.00 0.00 O ATOM 0 H GLY A 43 75.284 2.664 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.339 0.343 4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.880 1.161 4.316 1.00 0.00 H new ATOM 616 N THR A 44 74.334 3.338 5.509 1.00 0.00 N ATOM 617 CA THR A 44 73.854 4.086 6.707 1.00 0.00 C ATOM 618 C THR A 44 72.324 4.063 6.773 1.00 0.00 C ATOM 619 O THR A 44 71.743 3.647 7.755 1.00 0.00 O ATOM 620 CB THR A 44 74.357 5.515 6.511 1.00 0.00 C ATOM 621 OG1 THR A 44 75.767 5.547 6.683 1.00 0.00 O ATOM 622 CG2 THR A 44 73.692 6.435 7.536 1.00 0.00 C ATOM 0 H THR A 44 74.677 3.918 4.743 1.00 0.00 H new ATOM 0 HA THR A 44 74.218 3.648 7.636 1.00 0.00 H new ATOM 0 HB THR A 44 74.107 5.855 5.506 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.178 6.017 5.928 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.051 7.455 7.396 1.00 0.00 H new ATOM 0 HG22 THR A 44 72.611 6.409 7.401 1.00 0.00 H new ATOM 0 HG23 THR A 44 73.940 6.098 8.542 1.00 0.00 H new ATOM 630 N VAL A 45 71.668 4.510 5.737 1.00 0.00 N ATOM 631 CA VAL A 45 70.177 4.514 5.748 1.00 0.00 C ATOM 632 C VAL A 45 69.653 3.177 6.278 1.00 0.00 C ATOM 633 O VAL A 45 68.666 3.121 6.985 1.00 0.00 O ATOM 634 CB VAL A 45 69.765 4.715 4.290 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.270 3.545 3.445 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.239 4.788 4.199 1.00 0.00 C ATOM 0 H VAL A 45 72.098 4.872 4.886 1.00 0.00 H new ATOM 0 HA VAL A 45 69.771 5.294 6.392 1.00 0.00 H new ATOM 0 HB VAL A 45 70.199 5.643 3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.974 3.692 2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.357 3.492 3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 45 69.839 2.615 3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.943 4.931 3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 45 67.807 3.860 4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.878 5.624 4.798 1.00 0.00 H new ATOM 646 N MET A 46 70.311 2.099 5.948 1.00 0.00 N ATOM 647 CA MET A 46 69.853 0.768 6.439 1.00 0.00 C ATOM 648 C MET A 46 70.192 0.614 7.923 1.00 0.00 C ATOM 649 O MET A 46 69.367 0.217 8.722 1.00 0.00 O ATOM 650 CB MET A 46 70.625 -0.250 5.601 1.00 0.00 C ATOM 651 CG MET A 46 69.929 -0.433 4.252 1.00 0.00 C ATOM 652 SD MET A 46 70.967 -1.445 3.168 1.00 0.00 S ATOM 653 CE MET A 46 69.814 -2.826 2.977 1.00 0.00 C ATOM 0 H MET A 46 71.145 2.082 5.361 1.00 0.00 H new ATOM 0 HA MET A 46 68.775 0.637 6.343 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.650 0.089 5.450 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.679 -1.203 6.127 1.00 0.00 H new ATOM 0 HG2 MET A 46 68.959 -0.910 4.393 1.00 0.00 H new ATOM 0 HG3 MET A 46 69.743 0.538 3.792 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.318 -3.759 3.230 1.00 0.00 H new ATOM 0 HE2 MET A 46 68.961 -2.683 3.641 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.467 -2.870 1.945 1.00 0.00 H new ATOM 663 N ARG A 47 71.402 0.929 8.300 1.00 0.00 N ATOM 664 CA ARG A 47 71.791 0.803 9.735 1.00 0.00 C ATOM 665 C ARG A 47 70.965 1.770 10.588 1.00 0.00 C ATOM 666 O ARG A 47 70.407 1.396 11.600 1.00 0.00 O ATOM 667 CB ARG A 47 73.273 1.178 9.779 1.00 0.00 C ATOM 668 CG ARG A 47 74.104 -0.069 10.090 1.00 0.00 C ATOM 669 CD ARG A 47 74.392 -0.129 11.592 1.00 0.00 C ATOM 670 NE ARG A 47 75.865 0.054 11.708 1.00 0.00 N ATOM 671 CZ ARG A 47 76.385 0.472 12.830 1.00 0.00 C ATOM 672 NH1 ARG A 47 75.755 0.270 13.956 1.00 0.00 N ATOM 673 NH2 ARG A 47 77.533 1.091 12.827 1.00 0.00 N ATOM 0 H ARG A 47 72.137 1.267 7.678 1.00 0.00 H new ATOM 0 HA ARG A 47 71.615 -0.199 10.127 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.580 1.604 8.824 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.444 1.941 10.538 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.567 -0.964 9.776 1.00 0.00 H new ATOM 0 HG3 ARG A 47 75.039 -0.045 9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 47 73.854 0.652 12.129 1.00 0.00 H new ATOM 0 HD3 ARG A 47 74.078 -1.082 12.017 1.00 0.00 H new ATOM 0 HE ARG A 47 76.468 -0.147 10.910 1.00 0.00 H new ATOM 0 HH11 ARG A 47 74.857 -0.214 13.958 1.00 0.00 H new ATOM 0 HH12 ARG A 47 76.161 0.596 14.833 1.00 0.00 H new ATOM 0 HH21 ARG A 47 78.025 1.249 11.948 1.00 0.00 H new ATOM 0 HH22 ARG A 47 77.939 1.417 13.704 1.00 0.00 H new ATOM 687 N MET A 48 70.880 3.009 10.184 1.00 0.00 N ATOM 688 CA MET A 48 70.086 3.994 10.972 1.00 0.00 C ATOM 689 C MET A 48 68.603 3.615 10.936 1.00 0.00 C ATOM 690 O MET A 48 67.793 4.160 11.659 1.00 0.00 O ATOM 691 CB MET A 48 70.312 5.336 10.277 1.00 0.00 C ATOM 692 CG MET A 48 71.144 6.246 11.182 1.00 0.00 C ATOM 693 SD MET A 48 70.284 7.823 11.405 1.00 0.00 S ATOM 694 CE MET A 48 69.481 7.425 12.976 1.00 0.00 C ATOM 0 H MET A 48 71.325 3.380 9.345 1.00 0.00 H new ATOM 0 HA MET A 48 70.386 4.025 12.020 1.00 0.00 H new ATOM 0 HB2 MET A 48 70.824 5.184 9.327 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.355 5.806 10.051 1.00 0.00 H new ATOM 0 HG2 MET A 48 71.305 5.767 12.148 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.127 6.414 10.742 1.00 0.00 H new ATOM 0 HE1 MET A 48 68.885 8.276 13.306 1.00 0.00 H new ATOM 0 HE2 MET A 48 68.833 6.558 12.844 1.00 0.00 H new ATOM 0 HE3 MET A 48 70.240 7.201 13.726 1.00 0.00 H new ATOM 704 N LEU A 49 68.243 2.684 10.094 1.00 0.00 N ATOM 705 CA LEU A 49 66.815 2.268 10.007 1.00 0.00 C ATOM 706 C LEU A 49 66.530 1.139 11.002 1.00 0.00 C ATOM 707 O LEU A 49 65.531 1.146 11.694 1.00 0.00 O ATOM 708 CB LEU A 49 66.636 1.776 8.569 1.00 0.00 C ATOM 709 CG LEU A 49 65.797 2.785 7.780 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.311 4.203 8.044 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.906 2.477 6.285 1.00 0.00 C ATOM 0 H LEU A 49 68.877 2.194 9.463 1.00 0.00 H new ATOM 0 HA LEU A 49 66.131 3.081 10.249 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.609 1.647 8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.148 0.801 8.566 1.00 0.00 H new ATOM 0 HG LEU A 49 64.756 2.713 8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.711 4.918 7.481 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.236 4.425 9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 49 67.352 4.277 7.731 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.309 3.194 5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 49 66.948 2.548 5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.538 1.469 6.093 1.00 0.00 H new ATOM 723 N GLY A 50 67.403 0.171 11.082 1.00 0.00 N ATOM 724 CA GLY A 50 67.182 -0.954 12.036 1.00 0.00 C ATOM 725 C GLY A 50 67.562 -2.280 11.373 1.00 0.00 C ATOM 726 O GLY A 50 66.931 -3.295 11.591 1.00 0.00 O ATOM 0 H GLY A 50 68.258 0.111 10.529 1.00 0.00 H new ATOM 0 HA2 GLY A 50 67.779 -0.803 12.935 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.138 -0.979 12.347 1.00 0.00 H new ATOM 730 N GLN A 51 68.590 -2.283 10.568 1.00 0.00 N ATOM 731 CA GLN A 51 69.008 -3.549 9.899 1.00 0.00 C ATOM 732 C GLN A 51 70.509 -3.777 10.088 1.00 0.00 C ATOM 733 O GLN A 51 71.114 -3.260 11.007 1.00 0.00 O ATOM 734 CB GLN A 51 68.678 -3.345 8.419 1.00 0.00 C ATOM 735 CG GLN A 51 67.172 -3.127 8.257 1.00 0.00 C ATOM 736 CD GLN A 51 66.924 -1.832 7.481 1.00 0.00 C ATOM 737 OE1 GLN A 51 67.474 -0.799 7.808 1.00 0.00 O ATOM 738 NE2 GLN A 51 66.111 -1.842 6.460 1.00 0.00 N ATOM 0 H GLN A 51 69.158 -1.465 10.345 1.00 0.00 H new ATOM 0 HA GLN A 51 68.500 -4.420 10.313 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.225 -2.486 8.029 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.995 -4.214 7.842 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.726 -3.970 7.730 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.694 -3.074 9.235 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.649 -2.709 6.185 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.938 -0.983 5.937 1.00 0.00 H new ATOM 747 N ASN A 52 71.116 -4.546 9.226 1.00 0.00 N ATOM 748 CA ASN A 52 72.580 -4.805 9.358 1.00 0.00 C ATOM 749 C ASN A 52 73.178 -5.156 7.993 1.00 0.00 C ATOM 750 O ASN A 52 73.476 -6.303 7.722 1.00 0.00 O ATOM 751 CB ASN A 52 72.688 -5.993 10.313 1.00 0.00 C ATOM 752 CG ASN A 52 72.617 -5.496 11.757 1.00 0.00 C ATOM 753 OD1 ASN A 52 71.552 -5.440 12.342 1.00 0.00 O ATOM 754 ND2 ASN A 52 73.713 -5.129 12.364 1.00 0.00 N ATOM 0 H ASN A 52 70.663 -5.006 8.436 1.00 0.00 H new ATOM 0 HA ASN A 52 73.122 -3.935 9.729 1.00 0.00 H new ATOM 0 HB2 ASN A 52 71.882 -6.702 10.121 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.625 -6.523 10.146 1.00 0.00 H new ATOM 0 HD21 ASN A 52 73.675 -4.796 13.327 1.00 0.00 H new ATOM 0 HD22 ASN A 52 74.607 -5.175 11.875 1.00 0.00 H new ATOM 761 N PRO A 53 73.333 -4.149 7.179 1.00 0.00 N ATOM 762 CA PRO A 53 73.901 -4.343 5.822 1.00 0.00 C ATOM 763 C PRO A 53 75.406 -4.620 5.904 1.00 0.00 C ATOM 764 O PRO A 53 76.213 -3.712 5.913 1.00 0.00 O ATOM 765 CB PRO A 53 73.634 -3.011 5.128 1.00 0.00 C ATOM 766 CG PRO A 53 73.524 -2.012 6.237 1.00 0.00 C ATOM 767 CD PRO A 53 72.997 -2.746 7.443 1.00 0.00 C ATOM 0 HA PRO A 53 73.464 -5.190 5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.442 -2.754 4.444 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.718 -3.049 4.539 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.495 -1.566 6.451 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.854 -1.199 5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.463 -2.390 8.362 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.922 -2.608 7.556 1.00 0.00 H new ATOM 775 N THR A 54 75.789 -5.866 5.960 1.00 0.00 N ATOM 776 CA THR A 54 77.242 -6.196 6.037 1.00 0.00 C ATOM 777 C THR A 54 77.949 -5.752 4.754 1.00 0.00 C ATOM 778 O THR A 54 77.358 -5.702 3.694 1.00 0.00 O ATOM 779 CB THR A 54 77.305 -7.719 6.185 1.00 0.00 C ATOM 780 OG1 THR A 54 75.993 -8.262 6.117 1.00 0.00 O ATOM 781 CG2 THR A 54 77.937 -8.076 7.532 1.00 0.00 C ATOM 0 H THR A 54 75.160 -6.669 5.956 1.00 0.00 H new ATOM 0 HA THR A 54 77.735 -5.690 6.867 1.00 0.00 H new ATOM 0 HB THR A 54 77.909 -8.135 5.378 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.037 -9.237 6.210 1.00 0.00 H new ATOM 0 HG21 THR A 54 77.982 -9.160 7.637 1.00 0.00 H new ATOM 0 HG22 THR A 54 78.945 -7.665 7.581 1.00 0.00 H new ATOM 0 HG23 THR A 54 77.335 -7.658 8.339 1.00 0.00 H new ATOM 789 N LYS A 55 79.211 -5.426 4.840 1.00 0.00 N ATOM 790 CA LYS A 55 79.948 -4.984 3.622 1.00 0.00 C ATOM 791 C LYS A 55 79.738 -5.985 2.483 1.00 0.00 C ATOM 792 O LYS A 55 79.417 -5.616 1.371 1.00 0.00 O ATOM 793 CB LYS A 55 81.419 -4.948 4.039 1.00 0.00 C ATOM 794 CG LYS A 55 82.150 -3.872 3.234 1.00 0.00 C ATOM 795 CD LYS A 55 82.230 -2.585 4.057 1.00 0.00 C ATOM 796 CE LYS A 55 81.321 -1.524 3.434 1.00 0.00 C ATOM 797 NZ LYS A 55 82.005 -0.228 3.700 1.00 0.00 N ATOM 0 H LYS A 55 79.762 -5.447 5.698 1.00 0.00 H new ATOM 0 HA LYS A 55 79.603 -4.015 3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.501 -4.738 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.880 -5.921 3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 55 83.152 -4.214 2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.626 -3.685 2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 55 81.928 -2.779 5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.258 -2.225 4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 55 81.194 -1.691 2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 55 80.327 -1.545 3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 81.441 0.550 3.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 82.106 -0.093 4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 82.946 -0.235 3.258 1.00 0.00 H new ATOM 811 N GLU A 56 79.915 -7.250 2.751 1.00 0.00 N ATOM 812 CA GLU A 56 79.722 -8.271 1.682 1.00 0.00 C ATOM 813 C GLU A 56 78.296 -8.197 1.132 1.00 0.00 C ATOM 814 O GLU A 56 78.072 -8.302 -0.057 1.00 0.00 O ATOM 815 CB GLU A 56 79.964 -9.616 2.369 1.00 0.00 C ATOM 816 CG GLU A 56 80.687 -10.559 1.405 1.00 0.00 C ATOM 817 CD GLU A 56 82.055 -9.975 1.048 1.00 0.00 C ATOM 818 OE1 GLU A 56 83.004 -10.264 1.758 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.131 -9.249 0.071 1.00 0.00 O ATOM 0 H GLU A 56 80.184 -7.620 3.662 1.00 0.00 H new ATOM 0 HA GLU A 56 80.395 -8.118 0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.560 -9.474 3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.015 -10.054 2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 56 80.807 -11.541 1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 56 80.093 -10.699 0.502 1.00 0.00 H new ATOM 826 N GLU A 57 77.329 -8.016 1.990 1.00 0.00 N ATOM 827 CA GLU A 57 75.918 -7.933 1.517 1.00 0.00 C ATOM 828 C GLU A 57 75.609 -6.515 1.026 1.00 0.00 C ATOM 829 O GLU A 57 74.713 -6.304 0.234 1.00 0.00 O ATOM 830 CB GLU A 57 75.068 -8.275 2.741 1.00 0.00 C ATOM 831 CG GLU A 57 75.517 -9.621 3.314 1.00 0.00 C ATOM 832 CD GLU A 57 75.619 -10.649 2.185 1.00 0.00 C ATOM 833 OE1 GLU A 57 76.521 -10.521 1.374 1.00 0.00 O ATOM 834 OE2 GLU A 57 74.792 -11.546 2.150 1.00 0.00 O ATOM 0 H GLU A 57 77.455 -7.922 2.998 1.00 0.00 H new ATOM 0 HA GLU A 57 75.721 -8.608 0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.168 -7.495 3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.014 -8.318 2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 57 76.482 -9.513 3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.807 -9.962 4.068 1.00 0.00 H new ATOM 841 N LEU A 58 76.347 -5.545 1.490 1.00 0.00 N ATOM 842 CA LEU A 58 76.097 -4.144 1.048 1.00 0.00 C ATOM 843 C LEU A 58 76.732 -3.905 -0.325 1.00 0.00 C ATOM 844 O LEU A 58 76.150 -3.277 -1.187 1.00 0.00 O ATOM 845 CB LEU A 58 76.764 -3.269 2.111 1.00 0.00 C ATOM 846 CG LEU A 58 76.828 -1.826 1.613 1.00 0.00 C ATOM 847 CD1 LEU A 58 75.448 -1.399 1.109 1.00 0.00 C ATOM 848 CD2 LEU A 58 77.257 -0.907 2.760 1.00 0.00 C ATOM 0 H LEU A 58 77.111 -5.661 2.155 1.00 0.00 H new ATOM 0 HA LEU A 58 75.034 -3.923 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 58 76.202 -3.319 3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.768 -3.637 2.323 1.00 0.00 H new ATOM 0 HG LEU A 58 77.551 -1.755 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 58 75.493 -0.370 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 58 75.141 -2.052 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 58 74.725 -1.471 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 58 77.302 0.122 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 58 76.534 -0.978 3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 58 78.240 -1.210 3.121 1.00 0.00 H new ATOM 860 N ASP A 59 77.917 -4.408 -0.538 1.00 0.00 N ATOM 861 CA ASP A 59 78.583 -4.215 -1.858 1.00 0.00 C ATOM 862 C ASP A 59 77.792 -4.940 -2.949 1.00 0.00 C ATOM 863 O ASP A 59 77.567 -4.412 -4.021 1.00 0.00 O ATOM 864 CB ASP A 59 79.971 -4.835 -1.697 1.00 0.00 C ATOM 865 CG ASP A 59 80.665 -4.899 -3.060 1.00 0.00 C ATOM 866 OD1 ASP A 59 80.805 -3.857 -3.679 1.00 0.00 O ATOM 867 OD2 ASP A 59 81.044 -5.987 -3.460 1.00 0.00 O ATOM 0 H ASP A 59 78.453 -4.944 0.144 1.00 0.00 H new ATOM 0 HA ASP A 59 78.641 -3.166 -2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.566 -4.243 -1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 59 79.887 -5.836 -1.273 1.00 0.00 H new ATOM 872 N ALA A 60 77.366 -6.144 -2.683 1.00 0.00 N ATOM 873 CA ALA A 60 76.586 -6.899 -3.703 1.00 0.00 C ATOM 874 C ALA A 60 75.346 -6.101 -4.109 1.00 0.00 C ATOM 875 O ALA A 60 74.892 -6.166 -5.234 1.00 0.00 O ATOM 876 CB ALA A 60 76.184 -8.201 -3.010 1.00 0.00 C ATOM 0 H ALA A 60 77.524 -6.637 -1.804 1.00 0.00 H new ATOM 0 HA ALA A 60 77.159 -7.083 -4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.604 -8.815 -3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.080 -8.743 -2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.582 -7.974 -2.130 1.00 0.00 H new ATOM 882 N ILE A 61 74.796 -5.341 -3.200 1.00 0.00 N ATOM 883 CA ILE A 61 73.588 -4.535 -3.536 1.00 0.00 C ATOM 884 C ILE A 61 73.994 -3.290 -4.330 1.00 0.00 C ATOM 885 O ILE A 61 73.523 -3.063 -5.426 1.00 0.00 O ATOM 886 CB ILE A 61 72.981 -4.143 -2.190 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.366 -5.379 -1.530 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.895 -3.090 -2.409 1.00 0.00 C ATOM 889 CD1 ILE A 61 71.892 -5.025 -0.118 1.00 0.00 C ATOM 0 H ILE A 61 75.131 -5.244 -2.241 1.00 0.00 H new ATOM 0 HA ILE A 61 72.878 -5.088 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 61 73.759 -3.735 -1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.528 -5.743 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.100 -6.184 -1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.461 -2.810 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.332 -2.210 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.117 -3.499 -3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 61 71.454 -5.906 0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 61 72.740 -4.682 0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.144 -4.234 -0.173 1.00 0.00 H new ATOM 901 N ILE A 62 74.867 -2.484 -3.789 1.00 0.00 N ATOM 902 CA ILE A 62 75.298 -1.264 -4.527 1.00 0.00 C ATOM 903 C ILE A 62 75.611 -1.623 -5.980 1.00 0.00 C ATOM 904 O ILE A 62 75.076 -1.044 -6.903 1.00 0.00 O ATOM 905 CB ILE A 62 76.560 -0.784 -3.811 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.174 -0.112 -2.492 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.298 0.222 -4.698 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.223 -0.440 -1.427 1.00 0.00 C ATOM 0 H ILE A 62 75.298 -2.617 -2.874 1.00 0.00 H new ATOM 0 HA ILE A 62 74.527 -0.494 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 62 77.209 -1.636 -3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 62 76.103 0.967 -2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.192 -0.457 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.198 0.565 -4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.573 -0.255 -5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.649 1.074 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 62 76.949 0.038 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 62 77.271 -1.520 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.197 -0.073 -1.750 1.00 0.00 H new ATOM 920 N GLU A 63 76.472 -2.582 -6.188 1.00 0.00 N ATOM 921 CA GLU A 63 76.813 -2.985 -7.581 1.00 0.00 C ATOM 922 C GLU A 63 75.532 -3.305 -8.354 1.00 0.00 C ATOM 923 O GLU A 63 75.409 -3.007 -9.526 1.00 0.00 O ATOM 924 CB GLU A 63 77.677 -4.237 -7.427 1.00 0.00 C ATOM 925 CG GLU A 63 78.278 -4.613 -8.782 1.00 0.00 C ATOM 926 CD GLU A 63 79.770 -4.906 -8.615 1.00 0.00 C ATOM 927 OE1 GLU A 63 80.092 -5.911 -8.004 1.00 0.00 O ATOM 928 OE2 GLU A 63 80.566 -4.120 -9.102 1.00 0.00 O ATOM 0 H GLU A 63 76.953 -3.103 -5.455 1.00 0.00 H new ATOM 0 HA GLU A 63 77.332 -2.200 -8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.471 -4.057 -6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.076 -5.061 -7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 63 77.768 -5.487 -9.188 1.00 0.00 H new ATOM 0 HG3 GLU A 63 78.134 -3.800 -9.494 1.00 0.00 H new ATOM 935 N GLU A 64 74.573 -3.903 -7.700 1.00 0.00 N ATOM 936 CA GLU A 64 73.293 -4.235 -8.387 1.00 0.00 C ATOM 937 C GLU A 64 72.532 -2.946 -8.709 1.00 0.00 C ATOM 938 O GLU A 64 72.105 -2.726 -9.826 1.00 0.00 O ATOM 939 CB GLU A 64 72.523 -5.099 -7.379 1.00 0.00 C ATOM 940 CG GLU A 64 71.017 -5.000 -7.640 1.00 0.00 C ATOM 941 CD GLU A 64 70.734 -5.287 -9.116 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.649 -5.711 -9.803 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.607 -5.077 -9.533 1.00 0.00 O ATOM 0 H GLU A 64 74.621 -4.176 -6.718 1.00 0.00 H new ATOM 0 HA GLU A 64 73.439 -4.758 -9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.846 -6.137 -7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.746 -4.772 -6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.481 -5.711 -7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.656 -4.006 -7.376 1.00 0.00 H new ATOM 950 N VAL A 65 72.366 -2.089 -7.740 1.00 0.00 N ATOM 951 CA VAL A 65 71.640 -0.812 -7.989 1.00 0.00 C ATOM 952 C VAL A 65 72.586 0.210 -8.628 1.00 0.00 C ATOM 953 O VAL A 65 72.188 1.302 -8.984 1.00 0.00 O ATOM 954 CB VAL A 65 71.189 -0.337 -6.607 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.529 -1.497 -5.858 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.404 0.152 -5.814 1.00 0.00 C ATOM 0 H VAL A 65 72.702 -2.218 -6.786 1.00 0.00 H new ATOM 0 HA VAL A 65 70.798 -0.937 -8.669 1.00 0.00 H new ATOM 0 HB VAL A 65 70.474 0.478 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.208 -1.158 -4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.664 -1.848 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.244 -2.312 -5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.083 0.491 -4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.118 -0.664 -5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.877 0.978 -6.345 1.00 0.00 H new ATOM 966 N ASP A 66 73.835 -0.139 -8.777 1.00 0.00 N ATOM 967 CA ASP A 66 74.810 0.806 -9.391 1.00 0.00 C ATOM 968 C ASP A 66 75.035 0.446 -10.862 1.00 0.00 C ATOM 969 O ASP A 66 75.631 1.194 -11.611 1.00 0.00 O ATOM 970 CB ASP A 66 76.099 0.615 -8.595 1.00 0.00 C ATOM 971 CG ASP A 66 77.192 1.519 -9.167 1.00 0.00 C ATOM 972 OD1 ASP A 66 77.624 1.262 -10.279 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.581 2.451 -8.483 1.00 0.00 O ATOM 0 H ASP A 66 74.223 -1.041 -8.499 1.00 0.00 H new ATOM 0 HA ASP A 66 74.460 1.838 -9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.929 0.853 -7.545 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.415 -0.427 -8.639 1.00 0.00 H new ATOM 1030 N THR A 72 73.528 5.746 -7.828 1.00 0.00 N ATOM 1031 CA THR A 72 72.654 6.282 -6.747 1.00 0.00 C ATOM 1032 C THR A 72 71.462 5.347 -6.522 1.00 0.00 C ATOM 1033 O THR A 72 71.110 4.558 -7.376 1.00 0.00 O ATOM 1034 CB THR A 72 72.178 7.642 -7.258 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.729 7.513 -8.600 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.330 8.646 -7.199 1.00 0.00 C ATOM 0 HA THR A 72 73.178 6.366 -5.795 1.00 0.00 H new ATOM 0 HB THR A 72 71.359 7.996 -6.632 1.00 0.00 H new ATOM 0 HG1 THR A 72 72.149 6.729 -9.012 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.988 9.614 -7.564 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.673 8.747 -6.169 1.00 0.00 H new ATOM 0 HG23 THR A 72 74.152 8.294 -7.822 1.00 0.00 H new ATOM 1044 N ILE A 73 70.841 5.429 -5.378 1.00 0.00 N ATOM 1045 CA ILE A 73 69.675 4.544 -5.099 1.00 0.00 C ATOM 1046 C ILE A 73 68.402 5.381 -4.941 1.00 0.00 C ATOM 1047 O ILE A 73 68.381 6.367 -4.231 1.00 0.00 O ATOM 1048 CB ILE A 73 70.022 3.834 -3.791 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.078 2.645 -3.590 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.870 4.808 -2.621 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.618 1.432 -4.349 1.00 0.00 C ATOM 0 H ILE A 73 71.090 6.070 -4.625 1.00 0.00 H new ATOM 0 HA ILE A 73 69.488 3.837 -5.907 1.00 0.00 H new ATOM 0 HB ILE A 73 71.052 3.479 -3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.989 2.413 -2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.079 2.896 -3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.118 4.299 -1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.542 5.654 -2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.841 5.165 -2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.947 0.585 -4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.685 1.668 -5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.608 1.178 -3.971 1.00 0.00 H new ATOM 1063 N ASP A 74 67.341 4.997 -5.596 1.00 0.00 N ATOM 1064 CA ASP A 74 66.071 5.771 -5.482 1.00 0.00 C ATOM 1065 C ASP A 74 65.224 5.230 -4.328 1.00 0.00 C ATOM 1066 O ASP A 74 65.329 4.079 -3.957 1.00 0.00 O ATOM 1067 CB ASP A 74 65.356 5.557 -6.817 1.00 0.00 C ATOM 1068 CG ASP A 74 65.749 6.667 -7.793 1.00 0.00 C ATOM 1069 OD1 ASP A 74 65.467 7.817 -7.497 1.00 0.00 O ATOM 1070 OD2 ASP A 74 66.325 6.349 -8.821 1.00 0.00 O ATOM 0 H ASP A 74 67.298 4.180 -6.206 1.00 0.00 H new ATOM 0 HA ASP A 74 66.248 6.827 -5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.621 4.584 -7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.276 5.556 -6.667 1.00 0.00 H new ATOM 1075 N PHE A 75 64.383 6.051 -3.760 1.00 0.00 N ATOM 1076 CA PHE A 75 63.531 5.578 -2.632 1.00 0.00 C ATOM 1077 C PHE A 75 62.610 4.451 -3.104 1.00 0.00 C ATOM 1078 O PHE A 75 62.541 3.399 -2.500 1.00 0.00 O ATOM 1079 CB PHE A 75 62.712 6.798 -2.209 1.00 0.00 C ATOM 1080 CG PHE A 75 62.215 6.601 -0.797 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.267 5.608 -0.521 1.00 0.00 C ATOM 1082 CD2 PHE A 75 62.703 7.411 0.237 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.807 5.424 0.789 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.242 7.226 1.546 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.296 6.232 1.822 1.00 0.00 C ATOM 0 H PHE A 75 64.249 7.026 -4.027 1.00 0.00 H new ATOM 0 HA PHE A 75 64.123 5.182 -1.807 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.323 7.699 -2.269 1.00 0.00 H new ATOM 0 HB3 PHE A 75 61.870 6.938 -2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.891 4.984 -1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.434 8.177 0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 75 60.075 4.659 1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 75 62.617 7.851 2.343 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.943 6.088 2.833 1.00 0.00 H new ATOM 1095 N GLU A 76 61.903 4.660 -4.181 1.00 0.00 N ATOM 1096 CA GLU A 76 60.990 3.596 -4.687 1.00 0.00 C ATOM 1097 C GLU A 76 61.759 2.282 -4.857 1.00 0.00 C ATOM 1098 O GLU A 76 61.301 1.229 -4.462 1.00 0.00 O ATOM 1099 CB GLU A 76 60.483 4.108 -6.038 1.00 0.00 C ATOM 1100 CG GLU A 76 61.665 4.532 -6.914 1.00 0.00 C ATOM 1101 CD GLU A 76 62.052 3.380 -7.845 1.00 0.00 C ATOM 1102 OE1 GLU A 76 61.709 2.252 -7.533 1.00 0.00 O ATOM 1103 OE2 GLU A 76 62.682 3.648 -8.855 1.00 0.00 O ATOM 0 H GLU A 76 61.918 5.519 -4.731 1.00 0.00 H new ATOM 0 HA GLU A 76 60.167 3.396 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 76 59.909 3.329 -6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 76 59.810 4.952 -5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 76 61.400 5.413 -7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 76 62.514 4.809 -6.288 1.00 0.00 H new ATOM 1110 N GLU A 77 62.929 2.338 -5.432 1.00 0.00 N ATOM 1111 CA GLU A 77 63.728 1.094 -5.617 1.00 0.00 C ATOM 1112 C GLU A 77 64.431 0.725 -4.308 1.00 0.00 C ATOM 1113 O GLU A 77 64.343 -0.392 -3.839 1.00 0.00 O ATOM 1114 CB GLU A 77 64.751 1.437 -6.701 1.00 0.00 C ATOM 1115 CG GLU A 77 65.496 0.169 -7.123 1.00 0.00 C ATOM 1116 CD GLU A 77 65.894 0.275 -8.597 1.00 0.00 C ATOM 1117 OE1 GLU A 77 65.030 0.582 -9.402 1.00 0.00 O ATOM 1118 OE2 GLU A 77 67.056 0.050 -8.894 1.00 0.00 O ATOM 0 H GLU A 77 63.366 3.191 -5.781 1.00 0.00 H new ATOM 0 HA GLU A 77 63.111 0.241 -5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.249 1.880 -7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.457 2.179 -6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.384 0.034 -6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 77 64.864 -0.705 -6.968 1.00 0.00 H new ATOM 1125 N PHE A 78 65.124 1.657 -3.713 1.00 0.00 N ATOM 1126 CA PHE A 78 65.829 1.363 -2.433 1.00 0.00 C ATOM 1127 C PHE A 78 64.887 0.634 -1.472 1.00 0.00 C ATOM 1128 O PHE A 78 65.306 -0.181 -0.674 1.00 0.00 O ATOM 1129 CB PHE A 78 66.214 2.732 -1.874 1.00 0.00 C ATOM 1130 CG PHE A 78 66.610 2.593 -0.424 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.826 1.989 -0.086 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.759 3.068 0.581 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.193 1.861 1.258 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.127 2.940 1.927 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.344 2.337 2.265 1.00 0.00 C ATOM 0 H PHE A 78 65.233 2.611 -4.058 1.00 0.00 H new ATOM 0 HA PHE A 78 66.699 0.721 -2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.040 3.152 -2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.377 3.423 -1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.481 1.622 -0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.820 3.533 0.319 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.132 1.395 1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.472 3.307 2.703 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.628 2.239 3.302 1.00 0.00 H new ATOM 1145 N LEU A 79 63.616 0.919 -1.545 1.00 0.00 N ATOM 1146 CA LEU A 79 62.648 0.242 -0.637 1.00 0.00 C ATOM 1147 C LEU A 79 62.959 -1.255 -0.557 1.00 0.00 C ATOM 1148 O LEU A 79 62.761 -1.887 0.461 1.00 0.00 O ATOM 1149 CB LEU A 79 61.278 0.474 -1.274 1.00 0.00 C ATOM 1150 CG LEU A 79 60.696 1.794 -0.765 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.593 2.265 -1.715 1.00 0.00 C ATOM 1152 CD2 LEU A 79 60.109 1.586 0.633 1.00 0.00 C ATOM 0 H LEU A 79 63.206 1.591 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 79 62.693 0.630 0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.370 0.499 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.607 -0.350 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 79 61.484 2.546 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.178 3.206 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.009 2.412 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 79 58.805 1.513 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.694 2.526 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.321 0.834 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.894 1.249 1.311 1.00 0.00 H new ATOM 1164 N VAL A 80 63.447 -1.829 -1.624 1.00 0.00 N ATOM 1165 CA VAL A 80 63.772 -3.284 -1.603 1.00 0.00 C ATOM 1166 C VAL A 80 64.959 -3.540 -0.671 1.00 0.00 C ATOM 1167 O VAL A 80 64.960 -4.475 0.106 1.00 0.00 O ATOM 1168 CB VAL A 80 64.135 -3.636 -3.048 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.099 -3.038 -4.000 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.517 -3.072 -3.382 1.00 0.00 C ATOM 0 H VAL A 80 63.634 -1.354 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 80 62.942 -3.889 -1.238 1.00 0.00 H new ATOM 0 HB VAL A 80 64.147 -4.720 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.361 -3.291 -5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.114 -3.442 -3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.083 -1.954 -3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 80 65.774 -3.324 -4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.506 -1.988 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.258 -3.502 -2.708 1.00 0.00 H new ATOM 1180 N MET A 81 65.967 -2.714 -0.740 1.00 0.00 N ATOM 1181 CA MET A 81 67.152 -2.908 0.143 1.00 0.00 C ATOM 1182 C MET A 81 66.711 -2.973 1.607 1.00 0.00 C ATOM 1183 O MET A 81 67.307 -3.657 2.415 1.00 0.00 O ATOM 1184 CB MET A 81 68.030 -1.680 -0.099 1.00 0.00 C ATOM 1185 CG MET A 81 69.222 -2.070 -0.975 1.00 0.00 C ATOM 1186 SD MET A 81 68.625 -2.638 -2.587 1.00 0.00 S ATOM 1187 CE MET A 81 68.781 -4.413 -2.275 1.00 0.00 C ATOM 0 H MET A 81 66.021 -1.913 -1.370 1.00 0.00 H new ATOM 0 HA MET A 81 67.682 -3.836 -0.071 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.450 -0.895 -0.584 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.380 -1.277 0.851 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.888 -1.217 -1.102 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.800 -2.857 -0.491 1.00 0.00 H new ATOM 0 HE1 MET A 81 69.226 -4.897 -3.144 1.00 0.00 H new ATOM 0 HE2 MET A 81 69.416 -4.575 -1.404 1.00 0.00 H new ATOM 0 HE3 MET A 81 67.795 -4.838 -2.089 1.00 0.00 H new ATOM 1197 N MET A 82 65.669 -2.268 1.953 1.00 0.00 N ATOM 1198 CA MET A 82 65.189 -2.290 3.364 1.00 0.00 C ATOM 1199 C MET A 82 64.598 -3.662 3.696 1.00 0.00 C ATOM 1200 O MET A 82 65.089 -4.369 4.553 1.00 0.00 O ATOM 1201 CB MET A 82 64.111 -1.209 3.431 1.00 0.00 C ATOM 1202 CG MET A 82 64.646 0.082 2.810 1.00 0.00 C ATOM 1203 SD MET A 82 63.998 1.504 3.721 1.00 0.00 S ATOM 1204 CE MET A 82 63.169 2.308 2.328 1.00 0.00 C ATOM 0 H MET A 82 65.129 -1.678 1.320 1.00 0.00 H new ATOM 0 HA MET A 82 65.991 -2.108 4.079 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.218 -1.538 2.900 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.820 -1.034 4.467 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.736 0.086 2.836 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.352 0.143 1.762 1.00 0.00 H new ATOM 0 HE1 MET A 82 63.432 3.366 2.309 1.00 0.00 H new ATOM 0 HE2 MET A 82 63.485 1.839 1.396 1.00 0.00 H new ATOM 0 HE3 MET A 82 62.090 2.205 2.438 1.00 0.00 H new ATOM 1214 N VAL A 83 63.548 -4.047 3.022 1.00 0.00 N ATOM 1215 CA VAL A 83 62.932 -5.375 3.302 1.00 0.00 C ATOM 1216 C VAL A 83 63.913 -6.496 2.948 1.00 0.00 C ATOM 1217 O VAL A 83 64.083 -7.441 3.691 1.00 0.00 O ATOM 1218 CB VAL A 83 61.696 -5.442 2.405 1.00 0.00 C ATOM 1219 CG1 VAL A 83 62.118 -5.331 0.940 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.979 -6.775 2.629 1.00 0.00 C ATOM 0 H VAL A 83 63.091 -3.501 2.292 1.00 0.00 H new ATOM 0 HA VAL A 83 62.675 -5.495 4.354 1.00 0.00 H new ATOM 0 HB VAL A 83 61.024 -4.619 2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 83 61.235 -5.379 0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 83 62.630 -4.382 0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 83 62.790 -6.153 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.097 -6.826 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.652 -7.596 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 83 60.676 -6.854 3.673 1.00 0.00 H new ATOM 1230 N ARG A 84 64.563 -6.395 1.821 1.00 0.00 N ATOM 1231 CA ARG A 84 65.535 -7.454 1.427 1.00 0.00 C ATOM 1232 C ARG A 84 66.580 -7.631 2.530 1.00 0.00 C ATOM 1233 O ARG A 84 67.023 -8.727 2.811 1.00 0.00 O ATOM 1234 CB ARG A 84 66.183 -6.944 0.141 1.00 0.00 C ATOM 1235 CG ARG A 84 65.119 -6.816 -0.952 1.00 0.00 C ATOM 1236 CD ARG A 84 65.302 -7.938 -1.977 1.00 0.00 C ATOM 1237 NE ARG A 84 64.710 -9.146 -1.337 1.00 0.00 N ATOM 1238 CZ ARG A 84 65.156 -10.333 -1.648 1.00 0.00 C ATOM 1239 NH1 ARG A 84 66.434 -10.585 -1.589 1.00 0.00 N ATOM 1240 NH2 ARG A 84 64.323 -11.266 -2.019 1.00 0.00 N ATOM 0 H ARG A 84 64.463 -5.627 1.157 1.00 0.00 H new ATOM 0 HA ARG A 84 65.060 -8.423 1.277 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.656 -5.978 0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.968 -7.629 -0.179 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.123 -6.869 -0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.200 -5.845 -1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 84 64.799 -7.702 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 84 66.356 -8.091 -2.210 1.00 0.00 H new ATOM 0 HE ARG A 84 63.957 -9.046 -0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 84 67.085 -9.855 -1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 84 66.783 -11.512 -1.832 1.00 0.00 H new ATOM 0 HH21 ARG A 84 63.324 -11.068 -2.066 1.00 0.00 H new ATOM 0 HH22 ARG A 84 64.671 -12.193 -2.262 1.00 0.00 H new ATOM 1254 N GLN A 85 66.970 -6.560 3.165 1.00 0.00 N ATOM 1255 CA GLN A 85 67.978 -6.666 4.258 1.00 0.00 C ATOM 1256 C GLN A 85 67.283 -7.050 5.565 1.00 0.00 C ATOM 1257 O GLN A 85 67.746 -7.901 6.299 1.00 0.00 O ATOM 1258 CB GLN A 85 68.598 -5.272 4.369 1.00 0.00 C ATOM 1259 CG GLN A 85 69.601 -5.253 5.524 1.00 0.00 C ATOM 1260 CD GLN A 85 70.680 -6.310 5.282 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.049 -6.580 4.059 1.00 0.00 O flip ATOM 1262 NE2 GLN A 85 71.191 -6.898 6.214 1.00 0.00 N flip ATOM 0 H GLN A 85 66.634 -5.616 2.974 1.00 0.00 H new ATOM 0 HA GLN A 85 68.732 -7.427 4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 85 69.096 -5.008 3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.819 -4.528 4.537 1.00 0.00 H new ATOM 0 HG2 GLN A 85 70.056 -4.266 5.608 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.090 -5.449 6.467 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.903 -6.687 7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.908 -7.602 6.041 1.00 0.00 H new ATOM 1271 N MET A 86 66.170 -6.434 5.856 1.00 0.00 N ATOM 1272 CA MET A 86 65.441 -6.769 7.111 1.00 0.00 C ATOM 1273 C MET A 86 64.909 -8.199 7.036 1.00 0.00 C ATOM 1274 O MET A 86 64.660 -8.834 8.042 1.00 0.00 O ATOM 1275 CB MET A 86 64.287 -5.769 7.185 1.00 0.00 C ATOM 1276 CG MET A 86 64.538 -4.786 8.329 1.00 0.00 C ATOM 1277 SD MET A 86 62.997 -4.505 9.233 1.00 0.00 S ATOM 1278 CE MET A 86 62.659 -2.847 8.591 1.00 0.00 C ATOM 0 H MET A 86 65.735 -5.714 5.279 1.00 0.00 H new ATOM 0 HA MET A 86 66.081 -6.709 7.991 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.197 -5.231 6.242 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.345 -6.295 7.343 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.299 -5.181 9.001 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.918 -3.843 7.936 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.710 -2.124 9.405 1.00 0.00 H new ATOM 0 HE2 MET A 86 63.400 -2.592 7.833 1.00 0.00 H new ATOM 0 HE3 MET A 86 61.664 -2.824 8.148 1.00 0.00 H new ATOM 1288 N LYS A 87 64.742 -8.717 5.850 1.00 0.00 N ATOM 1289 CA LYS A 87 64.235 -10.111 5.716 1.00 0.00 C ATOM 1290 C LYS A 87 65.044 -11.035 6.628 1.00 0.00 C ATOM 1291 O LYS A 87 64.576 -12.072 7.054 1.00 0.00 O ATOM 1292 CB LYS A 87 64.450 -10.473 4.246 1.00 0.00 C ATOM 1293 CG LYS A 87 63.210 -10.087 3.438 1.00 0.00 C ATOM 1294 CD LYS A 87 62.131 -11.157 3.616 1.00 0.00 C ATOM 1295 CE LYS A 87 60.927 -10.552 4.340 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.917 -11.647 4.382 1.00 0.00 N ATOM 0 H LYS A 87 64.934 -8.237 4.971 1.00 0.00 H new ATOM 0 HA LYS A 87 63.188 -10.210 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 87 65.326 -9.954 3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 87 64.643 -11.541 4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.835 -9.118 3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 87 63.467 -9.986 2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.827 -11.547 2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 87 62.527 -11.997 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 87 61.194 -10.222 5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.544 -9.681 3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 59.060 -11.310 4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.678 -11.936 3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 60.308 -12.460 4.899 1.00 0.00 H new ATOM 1310 N GLU A 88 66.253 -10.655 6.937 1.00 0.00 N ATOM 1311 CA GLU A 88 67.098 -11.493 7.829 1.00 0.00 C ATOM 1312 C GLU A 88 66.996 -10.981 9.267 1.00 0.00 C ATOM 1313 O GLU A 88 66.979 -11.745 10.210 1.00 0.00 O ATOM 1314 CB GLU A 88 68.519 -11.323 7.296 1.00 0.00 C ATOM 1315 CG GLU A 88 69.293 -12.626 7.482 1.00 0.00 C ATOM 1316 CD GLU A 88 68.867 -13.631 6.410 1.00 0.00 C ATOM 1317 OE1 GLU A 88 67.919 -13.343 5.699 1.00 0.00 O ATOM 1318 OE2 GLU A 88 69.497 -14.672 6.319 1.00 0.00 O ATOM 0 H GLU A 88 66.693 -9.796 6.608 1.00 0.00 H new ATOM 0 HA GLU A 88 66.792 -12.539 7.838 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.493 -11.051 6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 88 69.021 -10.511 7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 88 70.364 -12.438 7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 88 69.104 -13.035 8.475 1.00 0.00 H new ATOM 1325 N ASP A 89 66.921 -9.687 9.438 1.00 0.00 N ATOM 1326 CA ASP A 89 66.813 -9.122 10.814 1.00 0.00 C ATOM 1327 C ASP A 89 65.380 -9.273 11.331 1.00 0.00 C ATOM 1328 O ASP A 89 65.148 -9.402 12.516 1.00 0.00 O ATOM 1329 CB ASP A 89 67.177 -7.645 10.665 1.00 0.00 C ATOM 1330 CG ASP A 89 68.697 -7.484 10.740 1.00 0.00 C ATOM 1331 OD1 ASP A 89 69.295 -8.096 11.610 1.00 0.00 O ATOM 1332 OD2 ASP A 89 69.236 -6.755 9.923 1.00 0.00 O ATOM 0 H ASP A 89 66.930 -8.999 8.685 1.00 0.00 H new ATOM 0 HA ASP A 89 67.464 -9.631 11.525 1.00 0.00 H new ATOM 0 HB2 ASP A 89 66.807 -7.262 9.714 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.699 -7.061 11.451 1.00 0.00 H new ATOM 1337 N ALA A 90 64.417 -9.259 10.449 1.00 0.00 N ATOM 1338 CA ALA A 90 63.000 -9.404 10.888 1.00 0.00 C ATOM 1339 C ALA A 90 62.650 -10.883 11.070 1.00 0.00 C ATOM 1340 O ALA A 90 62.734 -11.357 12.190 1.00 0.00 O ATOM 1341 CB ALA A 90 62.172 -8.793 9.756 1.00 0.00 C ATOM 1342 OXT ALA A 90 62.303 -11.515 10.086 1.00 0.00 O ATOM 0 H ALA A 90 64.551 -9.153 9.443 1.00 0.00 H new ATOM 0 HA ALA A 90 62.811 -8.914 11.843 1.00 0.00 H new ATOM 0 HB1 ALA A 90 61.112 -8.861 10.003 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.448 -7.747 9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 90 62.364 -9.336 8.831 1.00 0.00 H new