USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=15 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+ -132:sc= 0.123 (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= -0.499 X(o=-0.5,f=-0.1) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -138:sc= 0 (180deg=-0.0614) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 162:sc= -0.733 (180deg=-1.91!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.787 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0908 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 159:sc= -7.57! (180deg=-8.65!) USER MOD Single : A 48 MET CE :methyl -132:sc= -2.49 (180deg=-9.2!) USER MOD Single : A 51 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.096) USER MOD Single : A 52 ASN : amide:sc= -0.0105 K(o=-0.011,f=-1.1) 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 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 168:sc= -0.773 (180deg=-0.954) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl -177:sc= -8.41! (180deg=-8.46!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.984 -0.173 -11.419 1.00 0.00 N ATOM 2 CA ALA A 1 -17.835 0.392 -12.487 1.00 0.00 C ATOM 3 C ALA A 1 -17.483 1.889 -12.704 1.00 0.00 C ATOM 4 O ALA A 1 -16.591 2.431 -12.041 1.00 0.00 O ATOM 5 CB ALA A 1 -19.321 0.198 -12.130 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.580 -1.077 -11.738 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.215 0.492 -11.200 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.557 -0.332 -10.566 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.648 -0.132 -13.424 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.943 0.617 -12.921 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.534 -0.866 -12.025 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -19.539 0.706 -11.190 1.00 0.00 H new ATOM 13 N SER A 2 -18.178 2.531 -13.661 1.00 0.00 N ATOM 14 CA SER A 2 -17.912 3.941 -14.050 1.00 0.00 C ATOM 15 C SER A 2 -16.571 4.029 -14.828 1.00 0.00 C ATOM 16 O SER A 2 -15.538 3.530 -14.366 1.00 0.00 O ATOM 17 CB SER A 2 -17.919 4.833 -12.786 1.00 0.00 C ATOM 18 OG SER A 2 -18.532 6.092 -13.042 1.00 0.00 O ATOM 0 H SER A 2 -18.936 2.096 -14.187 1.00 0.00 H new ATOM 0 HA SER A 2 -18.695 4.304 -14.715 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.452 4.324 -11.983 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.896 4.988 -12.442 1.00 0.00 H new ATOM 0 HG SER A 2 -18.523 6.632 -12.225 1.00 0.00 H new ATOM 24 N MET A 3 -16.602 4.696 -15.997 1.00 0.00 N ATOM 25 CA MET A 3 -15.425 4.811 -16.899 1.00 0.00 C ATOM 26 C MET A 3 -14.605 6.073 -16.516 1.00 0.00 C ATOM 27 O MET A 3 -13.370 6.069 -16.586 1.00 0.00 O ATOM 28 CB MET A 3 -15.899 4.841 -18.378 1.00 0.00 C ATOM 29 CG MET A 3 -16.227 6.235 -18.948 1.00 0.00 C ATOM 30 SD MET A 3 -16.558 6.147 -20.724 1.00 0.00 S ATOM 31 CE MET A 3 -17.248 7.782 -21.049 1.00 0.00 C ATOM 0 H MET A 3 -17.435 5.170 -16.347 1.00 0.00 H new ATOM 0 HA MET A 3 -14.773 3.945 -16.785 1.00 0.00 H new ATOM 0 HB2 MET A 3 -15.124 4.389 -18.997 1.00 0.00 H new ATOM 0 HB3 MET A 3 -16.786 4.214 -18.469 1.00 0.00 H new ATOM 0 HG2 MET A 3 -17.094 6.648 -18.433 1.00 0.00 H new ATOM 0 HG3 MET A 3 -15.394 6.913 -18.763 1.00 0.00 H new ATOM 0 HE1 MET A 3 -17.498 7.868 -22.107 1.00 0.00 H new ATOM 0 HE2 MET A 3 -18.148 7.922 -20.451 1.00 0.00 H new ATOM 0 HE3 MET A 3 -16.515 8.545 -20.786 1.00 0.00 H new ATOM 41 N THR A 4 -15.314 7.154 -16.143 1.00 0.00 N ATOM 42 CA THR A 4 -14.691 8.458 -15.792 1.00 0.00 C ATOM 43 C THR A 4 -13.834 8.316 -14.504 1.00 0.00 C ATOM 44 O THR A 4 -12.789 8.962 -14.363 1.00 0.00 O ATOM 45 CB THR A 4 -15.760 9.593 -15.738 1.00 0.00 C ATOM 46 OG1 THR A 4 -16.204 9.756 -14.395 1.00 0.00 O ATOM 47 CG2 THR A 4 -17.007 9.443 -16.634 1.00 0.00 C ATOM 0 H THR A 4 -16.332 7.156 -16.074 1.00 0.00 H new ATOM 0 HA THR A 4 -13.999 8.760 -16.578 1.00 0.00 H new ATOM 0 HB THR A 4 -15.230 10.458 -16.137 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.875 10.469 -14.357 1.00 0.00 H new ATOM 0 HG21 THR A 4 -17.662 10.303 -16.493 1.00 0.00 H new ATOM 0 HG22 THR A 4 -16.700 9.387 -17.678 1.00 0.00 H new ATOM 0 HG23 THR A 4 -17.542 8.532 -16.364 1.00 0.00 H new ATOM 55 N ASP A 5 -14.294 7.464 -13.569 1.00 0.00 N ATOM 56 CA ASP A 5 -13.659 7.291 -12.236 1.00 0.00 C ATOM 57 C ASP A 5 -12.352 6.465 -12.372 1.00 0.00 C ATOM 58 O ASP A 5 -11.510 6.488 -11.459 1.00 0.00 O ATOM 59 CB ASP A 5 -14.653 6.660 -11.213 1.00 0.00 C ATOM 60 CG ASP A 5 -15.762 7.590 -10.691 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.308 8.386 -11.488 1.00 0.00 O ATOM 62 OD2 ASP A 5 -16.085 7.531 -9.484 1.00 0.00 O ATOM 0 H ASP A 5 -15.114 6.874 -13.710 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.393 8.272 -11.843 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.122 5.793 -11.679 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.082 6.293 -10.360 1.00 0.00 H new ATOM 67 N GLN A 6 -12.183 5.738 -13.491 1.00 0.00 N ATOM 68 CA GLN A 6 -11.041 4.810 -13.703 1.00 0.00 C ATOM 69 C GLN A 6 -9.833 5.578 -14.304 1.00 0.00 C ATOM 70 O GLN A 6 -9.015 4.973 -15.021 1.00 0.00 O ATOM 71 CB GLN A 6 -11.489 3.629 -14.620 1.00 0.00 C ATOM 72 CG GLN A 6 -11.966 2.344 -13.901 1.00 0.00 C ATOM 73 CD GLN A 6 -10.837 1.497 -13.289 1.00 0.00 C ATOM 74 OE1 GLN A 6 -10.973 0.947 -12.196 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.710 1.368 -13.972 1.00 0.00 N ATOM 0 H GLN A 6 -12.831 5.772 -14.278 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.723 4.394 -12.747 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.297 3.982 -15.262 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.655 3.367 -15.272 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.663 2.623 -13.111 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.519 1.730 -14.611 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.607 1.827 -14.877 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.945 0.809 -13.593 1.00 0.00 H new ATOM 84 N GLN A 7 -9.697 6.880 -13.998 1.00 0.00 N ATOM 85 CA GLN A 7 -8.526 7.702 -14.407 1.00 0.00 C ATOM 86 C GLN A 7 -8.705 9.140 -13.850 1.00 0.00 C ATOM 87 O GLN A 7 -7.803 9.678 -13.194 1.00 0.00 O ATOM 88 CB GLN A 7 -8.375 7.752 -15.955 1.00 0.00 C ATOM 89 CG GLN A 7 -9.114 8.901 -16.678 1.00 0.00 C ATOM 90 CD GLN A 7 -9.453 8.556 -18.138 1.00 0.00 C ATOM 91 OE1 GLN A 7 -8.661 7.934 -18.847 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.626 8.941 -18.617 1.00 0.00 N ATOM 0 H GLN A 7 -10.391 7.399 -13.461 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.622 7.246 -14.002 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.314 7.824 -16.193 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.730 6.806 -16.364 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.033 9.133 -16.140 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.496 9.798 -16.654 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.276 9.456 -18.022 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.880 8.723 -19.580 1.00 0.00 H new ATOM 101 N ALA A 8 -9.871 9.754 -14.126 1.00 0.00 N ATOM 102 CA ALA A 8 -10.189 11.134 -13.671 1.00 0.00 C ATOM 103 C ALA A 8 -10.010 11.249 -12.132 1.00 0.00 C ATOM 104 O ALA A 8 -9.642 12.312 -11.618 1.00 0.00 O ATOM 105 CB ALA A 8 -11.623 11.490 -14.110 1.00 0.00 C ATOM 0 H ALA A 8 -10.618 9.317 -14.666 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.502 11.846 -14.128 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.864 12.501 -13.780 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.695 11.436 -15.196 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.325 10.786 -13.664 1.00 0.00 H new ATOM 111 N GLU A 9 -10.305 10.150 -11.412 1.00 0.00 N ATOM 112 CA GLU A 9 -10.281 10.115 -9.926 1.00 0.00 C ATOM 113 C GLU A 9 -8.851 10.459 -9.428 1.00 0.00 C ATOM 114 O GLU A 9 -8.653 11.438 -8.698 1.00 0.00 O ATOM 115 CB GLU A 9 -10.767 8.744 -9.372 1.00 0.00 C ATOM 116 CG GLU A 9 -12.298 8.532 -9.304 1.00 0.00 C ATOM 117 CD GLU A 9 -12.912 9.007 -7.986 1.00 0.00 C ATOM 118 OE1 GLU A 9 -13.296 10.194 -7.890 1.00 0.00 O ATOM 119 OE2 GLU A 9 -13.021 8.196 -7.040 1.00 0.00 O ATOM 0 H GLU A 9 -10.567 9.260 -11.837 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.978 10.862 -9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.340 7.955 -9.991 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.360 8.617 -8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.769 9.064 -10.130 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.518 7.473 -9.440 1.00 0.00 H new ATOM 126 N ALA A 10 -7.868 9.623 -9.810 1.00 0.00 N ATOM 127 CA ALA A 10 -6.465 9.744 -9.330 1.00 0.00 C ATOM 128 C ALA A 10 -5.808 11.044 -9.870 1.00 0.00 C ATOM 129 O ALA A 10 -4.897 11.596 -9.240 1.00 0.00 O ATOM 130 CB ALA A 10 -5.681 8.487 -9.758 1.00 0.00 C ATOM 0 H ALA A 10 -8.015 8.847 -10.456 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.452 9.812 -8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.651 8.565 -9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.145 7.603 -9.321 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.693 8.403 -10.845 1.00 0.00 H new ATOM 136 N ARG A 11 -6.260 11.499 -11.053 1.00 0.00 N ATOM 137 CA ARG A 11 -5.666 12.660 -11.768 1.00 0.00 C ATOM 138 C ARG A 11 -6.034 13.953 -10.989 1.00 0.00 C ATOM 139 O ARG A 11 -5.263 14.921 -10.976 1.00 0.00 O ATOM 140 CB ARG A 11 -6.176 12.719 -13.236 1.00 0.00 C ATOM 141 CG ARG A 11 -5.066 12.793 -14.311 1.00 0.00 C ATOM 142 CD ARG A 11 -5.627 12.839 -15.745 1.00 0.00 C ATOM 143 NE ARG A 11 -4.881 11.937 -16.658 1.00 0.00 N ATOM 144 CZ ARG A 11 -4.475 12.266 -17.901 1.00 0.00 C ATOM 145 NH1 ARG A 11 -5.181 13.099 -18.654 1.00 0.00 N ATOM 146 NH2 ARG A 11 -3.385 11.726 -18.429 1.00 0.00 N ATOM 0 H ARG A 11 -7.047 11.077 -11.546 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.582 12.559 -11.811 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.788 11.838 -13.428 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.825 13.588 -13.345 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.455 13.679 -14.136 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.410 11.928 -14.210 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.679 12.555 -15.733 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.577 13.860 -16.122 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.659 11.000 -16.321 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.046 13.502 -18.295 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.858 13.337 -19.592 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.840 11.051 -17.893 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.092 11.986 -19.371 1.00 0.00 H new ATOM 160 N ALA A 12 -7.231 13.960 -10.371 1.00 0.00 N ATOM 161 CA ALA A 12 -7.717 15.111 -9.563 1.00 0.00 C ATOM 162 C ALA A 12 -6.868 15.248 -8.270 1.00 0.00 C ATOM 163 O ALA A 12 -6.721 16.350 -7.726 1.00 0.00 O ATOM 164 CB ALA A 12 -9.214 14.922 -9.248 1.00 0.00 C ATOM 0 H ALA A 12 -7.887 13.180 -10.413 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.605 16.036 -10.129 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.571 15.765 -8.656 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.778 14.868 -10.179 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.354 13.999 -8.686 1.00 0.00 H new ATOM 170 N PHE A 13 -6.342 14.113 -7.772 1.00 0.00 N ATOM 171 CA PHE A 13 -5.537 14.075 -6.521 1.00 0.00 C ATOM 172 C PHE A 13 -4.145 14.715 -6.779 1.00 0.00 C ATOM 173 O PHE A 13 -3.781 15.714 -6.148 1.00 0.00 O ATOM 174 CB PHE A 13 -5.453 12.605 -6.018 1.00 0.00 C ATOM 175 CG PHE A 13 -5.102 12.443 -4.525 1.00 0.00 C ATOM 176 CD1 PHE A 13 -5.353 13.484 -3.623 1.00 0.00 C ATOM 177 CD2 PHE A 13 -4.544 11.249 -4.054 1.00 0.00 C ATOM 178 CE1 PHE A 13 -5.053 13.331 -2.272 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.246 11.098 -2.701 1.00 0.00 C ATOM 180 CZ PHE A 13 -4.500 12.139 -1.812 1.00 0.00 C ATOM 0 H PHE A 13 -6.457 13.201 -8.215 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.009 14.661 -5.732 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.410 12.118 -6.205 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.706 12.077 -6.610 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.781 14.410 -3.977 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.343 10.441 -4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.249 14.137 -1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.818 10.174 -2.342 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.268 12.022 -0.764 1.00 0.00 H new ATOM 190 N LEU A 14 -3.371 14.101 -7.693 1.00 0.00 N ATOM 191 CA LEU A 14 -1.978 14.520 -8.000 1.00 0.00 C ATOM 192 C LEU A 14 -2.010 15.387 -9.288 1.00 0.00 C ATOM 193 O LEU A 14 -2.661 15.025 -10.276 1.00 0.00 O ATOM 194 CB LEU A 14 -1.045 13.282 -8.159 1.00 0.00 C ATOM 195 CG LEU A 14 -1.552 11.925 -7.587 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.191 11.058 -8.690 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.437 11.130 -6.876 1.00 0.00 C ATOM 0 H LEU A 14 -3.687 13.301 -8.242 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.571 15.108 -7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.844 13.146 -9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.093 13.514 -7.682 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.310 12.172 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.535 10.117 -8.260 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.037 11.589 -9.126 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.453 10.854 -9.466 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.844 10.193 -6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.365 10.917 -7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.044 11.717 -6.046 1.00 0.00 H new ATOM 209 N SER A 15 -1.275 16.514 -9.267 1.00 0.00 N ATOM 210 CA SER A 15 -1.198 17.457 -10.415 1.00 0.00 C ATOM 211 C SER A 15 -0.449 16.786 -11.597 1.00 0.00 C ATOM 212 O SER A 15 -0.132 15.591 -11.549 1.00 0.00 O ATOM 213 CB SER A 15 -0.521 18.770 -9.958 1.00 0.00 C ATOM 214 OG SER A 15 -1.063 19.898 -10.637 1.00 0.00 O ATOM 0 H SER A 15 -0.718 16.802 -8.462 1.00 0.00 H new ATOM 0 HA SER A 15 -2.199 17.707 -10.767 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.652 18.893 -8.883 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.551 18.712 -10.144 1.00 0.00 H new ATOM 0 HG SER A 15 -0.616 20.713 -10.326 1.00 0.00 H new ATOM 220 N GLU A 16 -0.192 17.568 -12.662 1.00 0.00 N ATOM 221 CA GLU A 16 0.497 17.078 -13.887 1.00 0.00 C ATOM 222 C GLU A 16 2.026 17.033 -13.614 1.00 0.00 C ATOM 223 O GLU A 16 2.726 16.151 -14.126 1.00 0.00 O ATOM 224 CB GLU A 16 0.106 17.954 -15.111 1.00 0.00 C ATOM 225 CG GLU A 16 0.119 17.256 -16.492 1.00 0.00 C ATOM 226 CD GLU A 16 -0.613 18.029 -17.593 1.00 0.00 C ATOM 227 OE1 GLU A 16 -1.846 17.869 -17.729 1.00 0.00 O ATOM 228 OE2 GLU A 16 0.043 18.799 -18.331 1.00 0.00 O ATOM 0 H GLU A 16 -0.452 18.553 -12.705 1.00 0.00 H new ATOM 0 HA GLU A 16 0.181 16.065 -14.135 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.894 18.353 -14.940 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.786 18.805 -15.152 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.153 17.101 -16.799 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.335 16.270 -16.393 1.00 0.00 H new ATOM 235 N GLU A 17 2.521 18.015 -12.830 1.00 0.00 N ATOM 236 CA GLU A 17 3.981 18.166 -12.569 1.00 0.00 C ATOM 237 C GLU A 17 4.468 16.900 -11.811 1.00 0.00 C ATOM 238 O GLU A 17 5.594 16.435 -12.018 1.00 0.00 O ATOM 239 CB GLU A 17 4.291 19.493 -11.818 1.00 0.00 C ATOM 240 CG GLU A 17 3.923 19.539 -10.316 1.00 0.00 C ATOM 241 CD GLU A 17 4.374 20.814 -9.597 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.540 21.859 -10.265 1.00 0.00 O ATOM 243 OE2 GLU A 17 4.562 20.778 -8.361 1.00 0.00 O ATOM 0 H GLU A 17 1.941 18.714 -12.367 1.00 0.00 H new ATOM 0 HA GLU A 17 4.531 18.241 -13.507 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.357 19.698 -11.914 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.764 20.302 -12.323 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.842 19.442 -10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.368 18.678 -9.818 1.00 0.00 H new ATOM 250 N MET A 18 3.590 16.339 -10.958 1.00 0.00 N ATOM 251 CA MET A 18 3.904 15.134 -10.145 1.00 0.00 C ATOM 252 C MET A 18 3.771 13.891 -11.067 1.00 0.00 C ATOM 253 O MET A 18 4.522 12.918 -10.926 1.00 0.00 O ATOM 254 CB MET A 18 2.990 15.039 -8.891 1.00 0.00 C ATOM 255 CG MET A 18 2.823 16.340 -8.082 1.00 0.00 C ATOM 256 SD MET A 18 4.293 16.637 -7.075 1.00 0.00 S ATOM 257 CE MET A 18 4.000 15.523 -5.685 1.00 0.00 C ATOM 0 H MET A 18 2.648 16.700 -10.809 1.00 0.00 H new ATOM 0 HA MET A 18 4.922 15.193 -9.761 1.00 0.00 H new ATOM 0 HB2 MET A 18 2.003 14.702 -9.209 1.00 0.00 H new ATOM 0 HB3 MET A 18 3.391 14.271 -8.230 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.660 17.179 -8.758 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.943 16.270 -7.443 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.269 16.023 -4.755 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.946 15.246 -5.656 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.608 14.626 -5.803 1.00 0.00 H new ATOM 267 N ILE A 19 2.788 13.930 -11.987 1.00 0.00 N ATOM 268 CA ILE A 19 2.562 12.853 -12.987 1.00 0.00 C ATOM 269 C ILE A 19 3.927 12.607 -13.685 1.00 0.00 C ATOM 270 O ILE A 19 4.260 11.464 -14.021 1.00 0.00 O ATOM 271 CB ILE A 19 1.371 13.192 -13.960 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.025 12.841 -13.351 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.528 12.520 -15.351 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.216 13.642 -13.901 1.00 0.00 C ATOM 0 H ILE A 19 2.127 14.703 -12.063 1.00 0.00 H new ATOM 0 HA ILE A 19 2.235 11.925 -12.518 1.00 0.00 H new ATOM 0 HB ILE A 19 1.415 14.272 -14.098 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.217 11.781 -13.517 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.022 12.991 -12.272 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.680 12.787 -15.982 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.451 12.863 -15.819 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.564 11.437 -15.230 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.132 13.316 -13.409 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.059 14.704 -13.710 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.302 13.475 -14.975 1.00 0.00 H new ATOM 286 N ALA A 20 4.703 13.685 -13.901 1.00 0.00 N ATOM 287 CA ALA A 20 5.983 13.630 -14.659 1.00 0.00 C ATOM 288 C ALA A 20 6.921 12.539 -14.072 1.00 0.00 C ATOM 289 O ALA A 20 7.457 11.703 -14.812 1.00 0.00 O ATOM 290 CB ALA A 20 6.641 15.024 -14.630 1.00 0.00 C ATOM 0 H ALA A 20 4.469 14.618 -13.560 1.00 0.00 H new ATOM 0 HA ALA A 20 5.788 13.356 -15.696 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.580 14.995 -15.183 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.972 15.752 -15.089 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.837 15.312 -13.597 1.00 0.00 H new ATOM 296 N GLU A 21 7.134 12.582 -12.745 1.00 0.00 N ATOM 297 CA GLU A 21 8.070 11.664 -12.043 1.00 0.00 C ATOM 298 C GLU A 21 7.635 10.201 -12.330 1.00 0.00 C ATOM 299 O GLU A 21 8.474 9.294 -12.399 1.00 0.00 O ATOM 300 CB GLU A 21 8.129 12.010 -10.527 1.00 0.00 C ATOM 301 CG GLU A 21 8.966 13.250 -10.134 1.00 0.00 C ATOM 302 CD GLU A 21 8.605 13.843 -8.768 1.00 0.00 C ATOM 303 OE1 GLU A 21 8.220 13.076 -7.857 1.00 0.00 O ATOM 304 OE2 GLU A 21 8.706 15.078 -8.598 1.00 0.00 O ATOM 0 H GLU A 21 6.669 13.246 -12.126 1.00 0.00 H new ATOM 0 HA GLU A 21 9.088 11.784 -12.414 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.110 12.160 -10.171 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.528 11.146 -9.995 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.021 12.977 -10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.837 14.018 -10.897 1.00 0.00 H new ATOM 311 N PHE A 22 6.313 9.983 -12.466 1.00 0.00 N ATOM 312 CA PHE A 22 5.720 8.628 -12.629 1.00 0.00 C ATOM 313 C PHE A 22 5.970 8.132 -14.080 1.00 0.00 C ATOM 314 O PHE A 22 6.128 6.926 -14.311 1.00 0.00 O ATOM 315 CB PHE A 22 4.204 8.653 -12.271 1.00 0.00 C ATOM 316 CG PHE A 22 3.873 9.139 -10.845 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.331 8.424 -9.732 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.133 10.311 -10.648 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.092 8.898 -8.444 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.895 10.783 -9.359 1.00 0.00 C ATOM 321 CZ PHE A 22 3.374 10.076 -8.259 1.00 0.00 C ATOM 0 H PHE A 22 5.622 10.734 -12.467 1.00 0.00 H new ATOM 0 HA PHE A 22 6.197 7.928 -11.943 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.689 9.296 -12.985 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.801 7.648 -12.398 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.872 7.500 -9.873 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.745 10.851 -11.499 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.464 8.352 -7.590 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.339 11.697 -9.213 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.188 10.442 -7.260 1.00 0.00 H new ATOM 331 N LYS A 23 5.971 9.067 -15.047 1.00 0.00 N ATOM 332 CA LYS A 23 6.077 8.748 -16.497 1.00 0.00 C ATOM 333 C LYS A 23 7.431 8.024 -16.732 1.00 0.00 C ATOM 334 O LYS A 23 7.517 7.099 -17.551 1.00 0.00 O ATOM 335 CB LYS A 23 5.969 10.030 -17.373 1.00 0.00 C ATOM 336 CG LYS A 23 4.939 11.101 -16.937 1.00 0.00 C ATOM 337 CD LYS A 23 4.629 12.173 -18.003 1.00 0.00 C ATOM 338 CE LYS A 23 3.326 12.939 -17.713 1.00 0.00 C ATOM 339 NZ LYS A 23 3.017 13.904 -18.783 1.00 0.00 N ATOM 0 H LYS A 23 5.899 10.066 -14.854 1.00 0.00 H new ATOM 0 HA LYS A 23 5.250 8.101 -16.791 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.952 10.500 -17.406 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.728 9.724 -18.391 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.010 10.601 -16.664 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.310 11.597 -16.040 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.457 12.880 -18.054 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.556 11.697 -18.981 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.503 12.232 -17.610 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.416 13.465 -16.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.133 14.403 -18.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.792 14.593 -18.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.907 13.399 -19.685 1.00 0.00 H new ATOM 353 N ALA A 24 8.485 8.477 -16.029 1.00 0.00 N ATOM 354 CA ALA A 24 9.857 7.924 -16.178 1.00 0.00 C ATOM 355 C ALA A 24 9.865 6.417 -15.805 1.00 0.00 C ATOM 356 O ALA A 24 10.328 5.571 -16.580 1.00 0.00 O ATOM 357 CB ALA A 24 10.828 8.740 -15.302 1.00 0.00 C ATOM 0 H ALA A 24 8.418 9.231 -15.345 1.00 0.00 H new ATOM 0 HA ALA A 24 10.185 8.003 -17.214 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.836 8.340 -15.407 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.817 9.782 -15.620 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.518 8.676 -14.259 1.00 0.00 H new ATOM 363 N ALA A 25 9.362 6.102 -14.597 1.00 0.00 N ATOM 364 CA ALA A 25 9.318 4.712 -14.071 1.00 0.00 C ATOM 365 C ALA A 25 8.378 3.825 -14.935 1.00 0.00 C ATOM 366 O ALA A 25 8.511 2.594 -14.929 1.00 0.00 O ATOM 367 CB ALA A 25 8.869 4.749 -12.596 1.00 0.00 C ATOM 0 H ALA A 25 8.975 6.795 -13.956 1.00 0.00 H new ATOM 0 HA ALA A 25 10.311 4.267 -14.125 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.834 3.734 -12.201 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.577 5.340 -12.015 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.879 5.199 -12.528 1.00 0.00 H new ATOM 373 N PHE A 26 7.421 4.456 -15.642 1.00 0.00 N ATOM 374 CA PHE A 26 6.397 3.730 -16.443 1.00 0.00 C ATOM 375 C PHE A 26 7.113 3.057 -17.646 1.00 0.00 C ATOM 376 O PHE A 26 6.772 1.935 -18.037 1.00 0.00 O ATOM 377 CB PHE A 26 5.253 4.683 -16.902 1.00 0.00 C ATOM 378 CG PHE A 26 4.389 4.151 -18.068 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.587 3.018 -17.894 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.385 4.811 -19.303 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.767 2.573 -18.928 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.568 4.360 -20.337 1.00 0.00 C ATOM 383 CZ PHE A 26 2.769 3.235 -20.153 1.00 0.00 C ATOM 0 H PHE A 26 7.330 5.471 -15.679 1.00 0.00 H new ATOM 0 HA PHE A 26 5.920 2.964 -15.832 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.603 4.883 -16.050 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.691 5.636 -17.199 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.604 2.486 -16.954 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.018 5.673 -19.454 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.129 1.714 -18.780 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.554 4.883 -21.282 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.150 2.875 -20.961 1.00 0.00 H new ATOM 393 N ASP A 27 8.091 3.771 -18.234 1.00 0.00 N ATOM 394 CA ASP A 27 8.859 3.281 -19.410 1.00 0.00 C ATOM 395 C ASP A 27 9.730 2.073 -18.967 1.00 0.00 C ATOM 396 O ASP A 27 9.819 1.069 -19.685 1.00 0.00 O ATOM 397 CB ASP A 27 9.698 4.418 -20.062 1.00 0.00 C ATOM 398 CG ASP A 27 9.007 5.210 -21.186 1.00 0.00 C ATOM 399 OD1 ASP A 27 8.333 6.221 -20.889 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.143 4.824 -22.368 1.00 0.00 O ATOM 0 H ASP A 27 8.375 4.698 -17.916 1.00 0.00 H new ATOM 0 HA ASP A 27 8.170 2.947 -20.186 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.993 5.118 -19.280 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.614 3.983 -20.462 1.00 0.00 H new ATOM 405 N MET A 28 10.374 2.197 -17.790 1.00 0.00 N ATOM 406 CA MET A 28 11.240 1.126 -17.226 1.00 0.00 C ATOM 407 C MET A 28 10.423 -0.195 -17.236 1.00 0.00 C ATOM 408 O MET A 28 10.823 -1.181 -17.866 1.00 0.00 O ATOM 409 CB MET A 28 11.758 1.486 -15.804 1.00 0.00 C ATOM 410 CG MET A 28 11.983 0.302 -14.845 1.00 0.00 C ATOM 411 SD MET A 28 13.247 0.726 -13.625 1.00 0.00 S ATOM 412 CE MET A 28 12.990 2.504 -13.453 1.00 0.00 C ATOM 0 H MET A 28 10.314 3.030 -17.204 1.00 0.00 H new ATOM 0 HA MET A 28 12.135 1.010 -17.837 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.699 2.027 -15.908 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.046 2.171 -15.343 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.050 0.049 -14.341 1.00 0.00 H new ATOM 0 HG3 MET A 28 12.290 -0.579 -15.408 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.455 2.851 -12.530 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.438 3.020 -14.302 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.921 2.716 -13.423 1.00 0.00 H new ATOM 422 N PHE A 29 9.293 -0.204 -16.502 1.00 0.00 N ATOM 423 CA PHE A 29 8.408 -1.394 -16.393 1.00 0.00 C ATOM 424 C PHE A 29 8.132 -1.935 -17.822 1.00 0.00 C ATOM 425 O PHE A 29 8.051 -3.151 -18.033 1.00 0.00 O ATOM 426 CB PHE A 29 7.091 -1.043 -15.638 1.00 0.00 C ATOM 427 CG PHE A 29 6.556 -2.144 -14.700 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.154 -2.367 -13.453 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.458 -2.923 -15.081 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.662 -3.356 -12.605 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.967 -3.911 -14.230 1.00 0.00 C ATOM 432 CZ PHE A 29 5.573 -4.129 -12.995 1.00 0.00 C ATOM 0 H PHE A 29 8.965 0.602 -15.970 1.00 0.00 H new ATOM 0 HA PHE A 29 8.899 -2.172 -15.808 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.257 -0.139 -15.052 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.321 -0.809 -16.373 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.000 -1.769 -13.148 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.989 -2.758 -16.040 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.126 -3.523 -11.644 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.117 -4.507 -14.528 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.197 -4.900 -12.339 1.00 0.00 H new ATOM 442 N ASP A 30 7.959 -1.012 -18.787 1.00 0.00 N ATOM 443 CA ASP A 30 7.650 -1.361 -20.199 1.00 0.00 C ATOM 444 C ASP A 30 8.948 -1.873 -20.881 1.00 0.00 C ATOM 445 O ASP A 30 10.059 -1.580 -20.424 1.00 0.00 O ATOM 446 CB ASP A 30 7.006 -0.165 -20.959 1.00 0.00 C ATOM 447 CG ASP A 30 6.047 -0.531 -22.105 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.596 -1.696 -22.170 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.749 0.346 -22.946 1.00 0.00 O ATOM 0 H ASP A 30 8.028 -0.008 -18.618 1.00 0.00 H new ATOM 0 HA ASP A 30 6.906 -2.157 -20.225 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.463 0.447 -20.239 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.806 0.455 -21.365 1.00 0.00 H new ATOM 454 N ALA A 31 8.787 -2.636 -21.978 1.00 0.00 N ATOM 455 CA ALA A 31 9.926 -3.205 -22.746 1.00 0.00 C ATOM 456 C ALA A 31 10.230 -2.314 -23.982 1.00 0.00 C ATOM 457 O ALA A 31 11.395 -2.068 -24.312 1.00 0.00 O ATOM 458 CB ALA A 31 9.590 -4.654 -23.149 1.00 0.00 C ATOM 0 H ALA A 31 7.873 -2.878 -22.360 1.00 0.00 H new ATOM 0 HA ALA A 31 10.825 -3.223 -22.130 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.422 -5.077 -23.713 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.418 -5.250 -22.253 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.692 -4.661 -23.767 1.00 0.00 H new ATOM 464 N ASP A 32 9.160 -1.853 -24.659 1.00 0.00 N ATOM 465 CA ASP A 32 9.266 -0.973 -25.853 1.00 0.00 C ATOM 466 C ASP A 32 9.354 0.502 -25.377 1.00 0.00 C ATOM 467 O ASP A 32 10.332 1.203 -25.664 1.00 0.00 O ATOM 468 CB ASP A 32 8.093 -1.213 -26.848 1.00 0.00 C ATOM 469 CG ASP A 32 7.267 -2.491 -26.624 1.00 0.00 C ATOM 470 OD1 ASP A 32 7.719 -3.583 -27.036 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.164 -2.406 -26.041 1.00 0.00 O ATOM 0 H ASP A 32 8.199 -2.076 -24.400 1.00 0.00 H new ATOM 0 HA ASP A 32 10.173 -1.214 -26.408 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.420 -0.357 -26.799 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.500 -1.240 -27.859 1.00 0.00 H new ATOM 476 N GLY A 33 8.332 0.951 -24.623 1.00 0.00 N ATOM 477 CA GLY A 33 8.285 2.328 -24.064 1.00 0.00 C ATOM 478 C GLY A 33 7.012 3.088 -24.521 1.00 0.00 C ATOM 479 O GLY A 33 6.793 3.302 -25.720 1.00 0.00 O ATOM 0 H GLY A 33 7.521 0.381 -24.383 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.309 2.280 -22.975 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.171 2.879 -24.379 1.00 0.00 H new ATOM 483 N GLY A 34 6.190 3.519 -23.544 1.00 0.00 N ATOM 484 CA GLY A 34 4.988 4.348 -23.812 1.00 0.00 C ATOM 485 C GLY A 34 4.136 3.711 -24.938 1.00 0.00 C ATOM 486 O GLY A 34 4.095 4.210 -26.069 1.00 0.00 O ATOM 0 H GLY A 34 6.334 3.308 -22.556 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.392 4.441 -22.904 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.289 5.355 -24.100 1.00 0.00 H new ATOM 490 N GLY A 35 3.430 2.613 -24.601 1.00 0.00 N ATOM 491 CA GLY A 35 2.545 1.900 -25.555 1.00 0.00 C ATOM 492 C GLY A 35 1.852 0.705 -24.851 1.00 0.00 C ATOM 493 O GLY A 35 1.712 -0.378 -25.434 1.00 0.00 O ATOM 0 H GLY A 35 3.454 2.196 -23.671 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.794 2.586 -25.948 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.127 1.543 -26.405 1.00 0.00 H new ATOM 497 N ASP A 36 1.442 0.917 -23.586 1.00 0.00 N ATOM 498 CA ASP A 36 0.729 -0.104 -22.775 1.00 0.00 C ATOM 499 C ASP A 36 1.758 -1.163 -22.291 1.00 0.00 C ATOM 500 O ASP A 36 2.925 -1.146 -22.702 1.00 0.00 O ATOM 501 CB ASP A 36 -0.457 -0.736 -23.560 1.00 0.00 C ATOM 502 CG ASP A 36 -1.316 0.236 -24.386 1.00 0.00 C ATOM 503 OD1 ASP A 36 -1.232 1.462 -24.156 1.00 0.00 O ATOM 504 OD2 ASP A 36 -2.080 -0.226 -25.263 1.00 0.00 O ATOM 0 H ASP A 36 1.592 1.797 -23.093 1.00 0.00 H new ATOM 0 HA ASP A 36 0.280 0.369 -21.902 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.058 -1.496 -24.231 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.105 -1.247 -22.849 1.00 0.00 H new ATOM 509 N ILE A 37 1.298 -2.097 -21.438 1.00 0.00 N ATOM 510 CA ILE A 37 2.149 -3.163 -20.841 1.00 0.00 C ATOM 511 C ILE A 37 1.376 -4.510 -20.877 1.00 0.00 C ATOM 512 O ILE A 37 0.409 -4.700 -20.124 1.00 0.00 O ATOM 513 CB ILE A 37 2.697 -2.817 -19.407 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.756 -1.295 -19.061 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.055 -3.515 -19.146 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.768 -0.894 -17.976 1.00 0.00 C ATOM 0 H ILE A 37 0.324 -2.140 -21.138 1.00 0.00 H new ATOM 0 HA ILE A 37 3.049 -3.249 -21.449 1.00 0.00 H new ATOM 0 HB ILE A 37 1.951 -3.217 -18.720 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.991 -0.744 -19.972 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.764 -0.976 -18.742 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.410 -3.258 -18.148 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.929 -4.595 -19.220 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.783 -3.183 -19.887 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.723 0.183 -17.817 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.527 -1.408 -17.046 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.773 -1.173 -18.295 1.00 0.00 H new ATOM 528 N SER A 38 1.823 -5.451 -21.731 1.00 0.00 N ATOM 529 CA SER A 38 1.255 -6.823 -21.795 1.00 0.00 C ATOM 530 C SER A 38 1.755 -7.654 -20.581 1.00 0.00 C ATOM 531 O SER A 38 2.503 -7.150 -19.736 1.00 0.00 O ATOM 532 CB SER A 38 1.627 -7.473 -23.147 1.00 0.00 C ATOM 533 OG SER A 38 2.922 -8.063 -23.103 1.00 0.00 O ATOM 0 H SER A 38 2.582 -5.289 -22.393 1.00 0.00 H new ATOM 0 HA SER A 38 0.167 -6.786 -21.737 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.888 -8.233 -23.402 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.595 -6.720 -23.935 1.00 0.00 H new ATOM 0 HG SER A 38 3.127 -8.467 -23.972 1.00 0.00 H new ATOM 539 N THR A 39 1.350 -8.937 -20.534 1.00 0.00 N ATOM 540 CA THR A 39 1.730 -9.878 -19.447 1.00 0.00 C ATOM 541 C THR A 39 3.205 -10.316 -19.655 1.00 0.00 C ATOM 542 O THR A 39 3.919 -10.605 -18.686 1.00 0.00 O ATOM 543 CB THR A 39 0.749 -11.090 -19.350 1.00 0.00 C ATOM 544 OG1 THR A 39 0.105 -11.317 -20.601 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.341 -10.967 -18.269 1.00 0.00 C ATOM 0 H THR A 39 0.751 -9.357 -21.245 1.00 0.00 H new ATOM 0 HA THR A 39 1.650 -9.369 -18.486 1.00 0.00 H new ATOM 0 HB THR A 39 1.387 -11.926 -19.064 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.504 -12.081 -20.522 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.969 -11.858 -18.283 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.127 -10.868 -17.290 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.954 -10.088 -18.468 1.00 0.00 H new ATOM 553 N LYS A 40 3.648 -10.365 -20.925 1.00 0.00 N ATOM 554 CA LYS A 40 5.034 -10.770 -21.285 1.00 0.00 C ATOM 555 C LYS A 40 6.025 -9.703 -20.747 1.00 0.00 C ATOM 556 O LYS A 40 7.122 -10.038 -20.283 1.00 0.00 O ATOM 557 CB LYS A 40 5.121 -10.987 -22.824 1.00 0.00 C ATOM 558 CG LYS A 40 6.518 -11.332 -23.400 1.00 0.00 C ATOM 559 CD LYS A 40 7.587 -11.934 -22.457 1.00 0.00 C ATOM 560 CE LYS A 40 9.064 -11.675 -22.825 1.00 0.00 C ATOM 561 NZ LYS A 40 9.790 -12.884 -23.253 1.00 0.00 N ATOM 0 H LYS A 40 3.067 -10.129 -21.729 1.00 0.00 H new ATOM 0 HA LYS A 40 5.308 -11.718 -20.822 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.434 -11.789 -23.094 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.764 -10.082 -23.316 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.372 -12.032 -24.222 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.933 -10.419 -23.828 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.413 -11.545 -21.454 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.432 -13.012 -22.412 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.105 -10.935 -23.624 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.573 -11.242 -21.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.773 -12.635 -23.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.781 -13.584 -22.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.328 -13.287 -24.093 1.00 0.00 H new ATOM 575 N GLU A 41 5.626 -8.420 -20.825 1.00 0.00 N ATOM 576 CA GLU A 41 6.500 -7.273 -20.461 1.00 0.00 C ATOM 577 C GLU A 41 6.544 -7.131 -18.915 1.00 0.00 C ATOM 578 O GLU A 41 7.580 -6.770 -18.343 1.00 0.00 O ATOM 579 CB GLU A 41 6.037 -5.967 -21.170 1.00 0.00 C ATOM 580 CG GLU A 41 5.529 -6.079 -22.629 1.00 0.00 C ATOM 581 CD GLU A 41 5.440 -4.740 -23.368 1.00 0.00 C ATOM 582 OE1 GLU A 41 6.494 -4.201 -23.773 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.315 -4.223 -23.549 1.00 0.00 O ATOM 0 H GLU A 41 4.696 -8.143 -21.139 1.00 0.00 H new ATOM 0 HA GLU A 41 7.515 -7.462 -20.811 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.241 -5.525 -20.571 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.871 -5.266 -21.159 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.192 -6.743 -23.183 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.543 -6.545 -22.624 1.00 0.00 H new ATOM 590 N LEU A 42 5.399 -7.391 -18.258 1.00 0.00 N ATOM 591 CA LEU A 42 5.238 -7.194 -16.792 1.00 0.00 C ATOM 592 C LEU A 42 6.352 -7.995 -16.065 1.00 0.00 C ATOM 593 O LEU A 42 6.927 -7.522 -15.076 1.00 0.00 O ATOM 594 CB LEU A 42 3.815 -7.630 -16.327 1.00 0.00 C ATOM 595 CG LEU A 42 2.786 -6.505 -16.017 1.00 0.00 C ATOM 596 CD1 LEU A 42 1.790 -6.278 -17.173 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.017 -6.795 -14.712 1.00 0.00 C ATOM 0 H LEU A 42 4.559 -7.742 -18.719 1.00 0.00 H new ATOM 0 HA LEU A 42 5.337 -6.138 -16.543 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.390 -8.271 -17.099 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.926 -8.241 -15.431 1.00 0.00 H new ATOM 0 HG LEU A 42 3.365 -5.589 -15.894 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.095 -5.483 -16.904 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.336 -5.994 -18.073 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.235 -7.197 -17.361 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.306 -5.991 -14.523 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.481 -7.739 -14.808 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.720 -6.860 -13.882 1.00 0.00 H new ATOM 609 N GLY A 43 6.626 -9.221 -16.548 1.00 0.00 N ATOM 610 CA GLY A 43 7.576 -10.156 -15.895 1.00 0.00 C ATOM 611 C GLY A 43 9.022 -9.599 -15.928 1.00 0.00 C ATOM 612 O GLY A 43 9.819 -9.859 -15.015 1.00 0.00 O ATOM 0 H GLY A 43 6.201 -9.595 -17.396 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.272 -10.325 -14.862 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.544 -11.122 -16.399 1.00 0.00 H new ATOM 616 N THR A 44 9.355 -8.860 -17.002 1.00 0.00 N ATOM 617 CA THR A 44 10.730 -8.348 -17.246 1.00 0.00 C ATOM 618 C THR A 44 11.245 -7.643 -15.961 1.00 0.00 C ATOM 619 O THR A 44 12.340 -7.944 -15.473 1.00 0.00 O ATOM 620 CB THR A 44 10.794 -7.427 -18.505 1.00 0.00 C ATOM 621 OG1 THR A 44 10.842 -8.207 -19.698 1.00 0.00 O ATOM 622 CG2 THR A 44 11.976 -6.440 -18.535 1.00 0.00 C ATOM 0 H THR A 44 8.687 -8.598 -17.727 1.00 0.00 H new ATOM 0 HA THR A 44 11.391 -9.186 -17.467 1.00 0.00 H new ATOM 0 HB THR A 44 9.883 -6.832 -18.446 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.880 -7.613 -20.476 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.931 -5.846 -19.448 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.920 -5.779 -17.670 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.914 -6.995 -18.508 1.00 0.00 H new ATOM 630 N VAL A 45 10.450 -6.688 -15.444 1.00 0.00 N ATOM 631 CA VAL A 45 10.834 -5.830 -14.292 1.00 0.00 C ATOM 632 C VAL A 45 10.667 -6.663 -12.992 1.00 0.00 C ATOM 633 O VAL A 45 11.348 -6.397 -11.990 1.00 0.00 O ATOM 634 CB VAL A 45 10.037 -4.476 -14.281 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.562 -4.028 -12.876 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.835 -3.310 -14.914 1.00 0.00 C ATOM 0 H VAL A 45 9.520 -6.484 -15.809 1.00 0.00 H new ATOM 0 HA VAL A 45 11.878 -5.529 -14.375 1.00 0.00 H new ATOM 0 HB VAL A 45 9.157 -4.698 -14.884 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.021 -3.085 -12.958 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.904 -4.788 -12.455 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.426 -3.895 -12.225 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.237 -2.399 -14.880 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.760 -3.158 -14.358 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.070 -3.551 -15.951 1.00 0.00 H new ATOM 646 N MET A 46 9.745 -7.643 -13.001 1.00 0.00 N ATOM 647 CA MET A 46 9.475 -8.519 -11.829 1.00 0.00 C ATOM 648 C MET A 46 10.798 -9.219 -11.413 1.00 0.00 C ATOM 649 O MET A 46 10.991 -9.541 -10.232 1.00 0.00 O ATOM 650 CB MET A 46 8.345 -9.544 -12.137 1.00 0.00 C ATOM 651 CG MET A 46 6.905 -9.040 -11.925 1.00 0.00 C ATOM 652 SD MET A 46 5.883 -10.359 -11.233 1.00 0.00 S ATOM 653 CE MET A 46 4.232 -9.822 -11.727 1.00 0.00 C ATOM 0 H MET A 46 9.165 -7.855 -13.813 1.00 0.00 H new ATOM 0 HA MET A 46 9.118 -7.914 -10.995 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.447 -9.868 -13.173 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.498 -10.423 -11.511 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.907 -8.181 -11.254 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.486 -8.703 -12.873 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.553 -10.674 -11.714 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.874 -9.062 -11.033 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.271 -9.405 -12.733 1.00 0.00 H new ATOM 663 N ARG A 47 11.687 -9.477 -12.390 1.00 0.00 N ATOM 664 CA ARG A 47 12.940 -10.251 -12.178 1.00 0.00 C ATOM 665 C ARG A 47 14.012 -9.363 -11.487 1.00 0.00 C ATOM 666 O ARG A 47 14.890 -9.881 -10.786 1.00 0.00 O ATOM 667 CB ARG A 47 13.466 -10.804 -13.533 1.00 0.00 C ATOM 668 CG ARG A 47 14.783 -10.162 -14.028 1.00 0.00 C ATOM 669 CD ARG A 47 15.302 -10.774 -15.343 1.00 0.00 C ATOM 670 NE ARG A 47 16.426 -11.719 -15.117 1.00 0.00 N ATOM 671 CZ ARG A 47 17.338 -12.073 -16.046 1.00 0.00 C ATOM 672 NH1 ARG A 47 17.352 -11.607 -17.295 1.00 0.00 N ATOM 673 NH2 ARG A 47 18.277 -12.933 -15.697 1.00 0.00 N ATOM 0 H ARG A 47 11.564 -9.158 -13.351 1.00 0.00 H new ATOM 0 HA ARG A 47 12.726 -11.097 -11.524 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.616 -11.879 -13.437 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.698 -10.656 -14.292 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.627 -9.093 -14.170 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.546 -10.274 -13.257 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.487 -11.295 -15.846 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.629 -9.976 -16.009 1.00 0.00 H new ATOM 0 HE ARG A 47 16.515 -12.132 -14.188 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.643 -10.940 -17.598 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.072 -11.918 -17.947 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.298 -13.309 -14.749 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.982 -13.222 -16.375 1.00 0.00 H new ATOM 687 N MET A 48 13.951 -8.039 -11.720 1.00 0.00 N ATOM 688 CA MET A 48 14.971 -7.069 -11.236 1.00 0.00 C ATOM 689 C MET A 48 15.278 -7.370 -9.742 1.00 0.00 C ATOM 690 O MET A 48 16.448 -7.487 -9.355 1.00 0.00 O ATOM 691 CB MET A 48 14.512 -5.596 -11.447 1.00 0.00 C ATOM 692 CG MET A 48 15.079 -4.890 -12.693 1.00 0.00 C ATOM 693 SD MET A 48 15.179 -3.109 -12.406 1.00 0.00 S ATOM 694 CE MET A 48 14.093 -2.480 -13.703 1.00 0.00 C ATOM 0 H MET A 48 13.195 -7.604 -12.249 1.00 0.00 H new ATOM 0 HA MET A 48 15.884 -7.186 -11.820 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.424 -5.579 -11.507 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.792 -5.018 -10.566 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.068 -5.285 -12.926 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.444 -5.092 -13.556 1.00 0.00 H new ATOM 0 HE1 MET A 48 14.590 -1.667 -14.231 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.863 -3.281 -14.405 1.00 0.00 H new ATOM 0 HE3 MET A 48 13.169 -2.112 -13.257 1.00 0.00 H new ATOM 704 N LEU A 49 14.221 -7.460 -8.914 1.00 0.00 N ATOM 705 CA LEU A 49 14.354 -7.630 -7.441 1.00 0.00 C ATOM 706 C LEU A 49 15.319 -8.816 -7.178 1.00 0.00 C ATOM 707 O LEU A 49 16.327 -8.676 -6.474 1.00 0.00 O ATOM 708 CB LEU A 49 12.962 -7.856 -6.778 1.00 0.00 C ATOM 709 CG LEU A 49 11.986 -8.844 -7.481 1.00 0.00 C ATOM 710 CD1 LEU A 49 11.823 -10.168 -6.706 1.00 0.00 C ATOM 711 CD2 LEU A 49 10.606 -8.197 -7.709 1.00 0.00 C ATOM 0 H LEU A 49 13.254 -7.418 -9.236 1.00 0.00 H new ATOM 0 HA LEU A 49 14.764 -6.725 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.127 -8.212 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.465 -6.889 -6.701 1.00 0.00 H new ATOM 0 HG LEU A 49 12.434 -9.079 -8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.132 -10.820 -7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.792 -10.660 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 49 11.430 -9.961 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.946 -8.911 -8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.177 -7.908 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.718 -7.313 -8.337 1.00 0.00 H new ATOM 723 N GLY A 50 15.011 -9.983 -7.780 1.00 0.00 N ATOM 724 CA GLY A 50 15.890 -11.177 -7.715 1.00 0.00 C ATOM 725 C GLY A 50 15.048 -12.453 -7.455 1.00 0.00 C ATOM 726 O GLY A 50 15.317 -13.206 -6.509 1.00 0.00 O ATOM 0 H GLY A 50 14.158 -10.128 -8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.442 -11.282 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.627 -11.052 -6.922 1.00 0.00 H new ATOM 730 N GLN A 51 14.032 -12.681 -8.308 1.00 0.00 N ATOM 731 CA GLN A 51 13.192 -13.908 -8.276 1.00 0.00 C ATOM 732 C GLN A 51 13.124 -14.488 -9.715 1.00 0.00 C ATOM 733 O GLN A 51 13.837 -14.027 -10.615 1.00 0.00 O ATOM 734 CB GLN A 51 11.786 -13.583 -7.696 1.00 0.00 C ATOM 735 CG GLN A 51 11.462 -14.191 -6.309 1.00 0.00 C ATOM 736 CD GLN A 51 12.553 -13.973 -5.246 1.00 0.00 C ATOM 737 OE1 GLN A 51 13.358 -14.862 -4.966 1.00 0.00 O ATOM 738 NE2 GLN A 51 12.604 -12.801 -4.632 1.00 0.00 N ATOM 0 H GLN A 51 13.765 -12.024 -9.041 1.00 0.00 H new ATOM 0 HA GLN A 51 13.629 -14.661 -7.620 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.686 -12.500 -7.627 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.034 -13.928 -8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.528 -13.760 -5.947 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.295 -15.262 -6.426 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.933 -12.071 -4.871 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.314 -12.628 -3.921 1.00 0.00 H new ATOM 747 N ASN A 52 12.239 -15.481 -9.919 1.00 0.00 N ATOM 748 CA ASN A 52 11.973 -16.067 -11.260 1.00 0.00 C ATOM 749 C ASN A 52 10.521 -16.665 -11.320 1.00 0.00 C ATOM 750 O ASN A 52 10.350 -17.824 -10.924 1.00 0.00 O ATOM 751 CB ASN A 52 13.064 -17.132 -11.565 1.00 0.00 C ATOM 752 CG ASN A 52 13.267 -17.439 -13.064 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.976 -16.615 -13.930 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.771 -18.619 -13.399 1.00 0.00 N ATOM 0 H ASN A 52 11.689 -15.902 -9.170 1.00 0.00 H new ATOM 0 HA ASN A 52 12.023 -15.295 -12.027 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.011 -16.792 -11.147 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.803 -18.057 -11.051 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.920 -18.850 -14.381 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.009 -19.296 -12.674 1.00 0.00 H new ATOM 761 N PRO A 53 9.466 -15.949 -11.820 1.00 0.00 N ATOM 762 CA PRO A 53 8.077 -16.472 -11.882 1.00 0.00 C ATOM 763 C PRO A 53 7.857 -17.405 -13.103 1.00 0.00 C ATOM 764 O PRO A 53 8.798 -17.711 -13.846 1.00 0.00 O ATOM 765 CB PRO A 53 7.249 -15.170 -11.925 1.00 0.00 C ATOM 766 CG PRO A 53 8.138 -14.143 -12.632 1.00 0.00 C ATOM 767 CD PRO A 53 9.563 -14.531 -12.245 1.00 0.00 C ATOM 0 HA PRO A 53 7.799 -17.115 -11.047 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.314 -15.317 -12.465 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.988 -14.838 -10.920 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.998 -14.176 -13.713 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.903 -13.128 -12.311 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.247 -14.416 -13.086 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.940 -13.901 -11.439 1.00 0.00 H new ATOM 775 N THR A 54 6.605 -17.866 -13.288 1.00 0.00 N ATOM 776 CA THR A 54 6.216 -18.766 -14.406 1.00 0.00 C ATOM 777 C THR A 54 5.245 -17.999 -15.346 1.00 0.00 C ATOM 778 O THR A 54 4.615 -17.018 -14.937 1.00 0.00 O ATOM 779 CB THR A 54 5.620 -20.115 -13.894 1.00 0.00 C ATOM 780 OG1 THR A 54 6.165 -21.214 -14.620 1.00 0.00 O ATOM 781 CG2 THR A 54 4.084 -20.219 -13.957 1.00 0.00 C ATOM 0 H THR A 54 5.830 -17.628 -12.669 1.00 0.00 H new ATOM 0 HA THR A 54 7.104 -19.046 -14.972 1.00 0.00 H new ATOM 0 HB THR A 54 5.899 -20.146 -12.841 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.781 -22.051 -14.284 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.769 -21.192 -13.580 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.641 -19.432 -13.346 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.754 -20.106 -14.990 1.00 0.00 H new ATOM 789 N LYS A 55 5.162 -18.446 -16.613 1.00 0.00 N ATOM 790 CA LYS A 55 4.364 -17.764 -17.666 1.00 0.00 C ATOM 791 C LYS A 55 2.880 -17.749 -17.209 1.00 0.00 C ATOM 792 O LYS A 55 2.161 -16.767 -17.425 1.00 0.00 O ATOM 793 CB LYS A 55 4.561 -18.471 -19.041 1.00 0.00 C ATOM 794 CG LYS A 55 4.078 -17.712 -20.302 1.00 0.00 C ATOM 795 CD LYS A 55 3.488 -18.602 -21.420 1.00 0.00 C ATOM 796 CE LYS A 55 2.534 -19.709 -20.927 1.00 0.00 C ATOM 797 NZ LYS A 55 1.740 -20.319 -22.011 1.00 0.00 N ATOM 0 H LYS A 55 5.641 -19.285 -16.941 1.00 0.00 H new ATOM 0 HA LYS A 55 4.697 -16.735 -17.803 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.623 -18.685 -19.162 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.044 -19.430 -19.005 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.323 -16.985 -20.002 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.917 -17.150 -20.712 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.952 -17.967 -22.126 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.309 -19.066 -21.967 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.115 -20.486 -20.430 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.858 -19.291 -20.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.120 -21.054 -21.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.161 -19.588 -22.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.379 -20.745 -22.712 1.00 0.00 H new ATOM 811 N GLU A 56 2.449 -18.841 -16.550 1.00 0.00 N ATOM 812 CA GLU A 56 1.047 -19.010 -16.085 1.00 0.00 C ATOM 813 C GLU A 56 0.783 -17.986 -14.947 1.00 0.00 C ATOM 814 O GLU A 56 -0.319 -17.436 -14.835 1.00 0.00 O ATOM 815 CB GLU A 56 0.789 -20.486 -15.668 1.00 0.00 C ATOM 816 CG GLU A 56 0.133 -21.400 -16.730 1.00 0.00 C ATOM 817 CD GLU A 56 -1.336 -21.074 -17.017 1.00 0.00 C ATOM 818 OE1 GLU A 56 -1.607 -20.092 -17.744 1.00 0.00 O ATOM 819 OE2 GLU A 56 -2.225 -21.796 -16.515 1.00 0.00 O ATOM 0 H GLU A 56 3.054 -19.630 -16.323 1.00 0.00 H new ATOM 0 HA GLU A 56 0.339 -18.804 -16.888 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.741 -20.930 -15.378 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.155 -20.484 -14.781 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.699 -21.323 -17.659 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.206 -22.435 -16.397 1.00 0.00 H new ATOM 826 N GLU A 57 1.803 -17.761 -14.099 1.00 0.00 N ATOM 827 CA GLU A 57 1.688 -16.884 -12.904 1.00 0.00 C ATOM 828 C GLU A 57 1.491 -15.416 -13.371 1.00 0.00 C ATOM 829 O GLU A 57 0.801 -14.630 -12.711 1.00 0.00 O ATOM 830 CB GLU A 57 2.913 -17.054 -11.959 1.00 0.00 C ATOM 831 CG GLU A 57 2.724 -16.697 -10.463 1.00 0.00 C ATOM 832 CD GLU A 57 3.897 -15.929 -9.847 1.00 0.00 C ATOM 833 OE1 GLU A 57 5.001 -16.505 -9.726 1.00 0.00 O ATOM 834 OE2 GLU A 57 3.719 -14.746 -9.479 1.00 0.00 O ATOM 0 H GLU A 57 2.727 -18.176 -14.215 1.00 0.00 H new ATOM 0 HA GLU A 57 0.817 -17.175 -12.317 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.240 -18.092 -12.017 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.726 -16.442 -12.350 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.818 -16.101 -10.355 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.570 -17.617 -9.898 1.00 0.00 H new ATOM 841 N LEU A 58 2.126 -15.057 -14.503 1.00 0.00 N ATOM 842 CA LEU A 58 1.999 -13.706 -15.111 1.00 0.00 C ATOM 843 C LEU A 58 0.498 -13.422 -15.393 1.00 0.00 C ATOM 844 O LEU A 58 0.033 -12.285 -15.251 1.00 0.00 O ATOM 845 CB LEU A 58 2.900 -13.643 -16.378 1.00 0.00 C ATOM 846 CG LEU A 58 4.199 -12.794 -16.270 1.00 0.00 C ATOM 847 CD1 LEU A 58 3.860 -11.326 -15.944 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.196 -13.344 -15.228 1.00 0.00 C ATOM 0 H LEU A 58 2.738 -15.685 -15.023 1.00 0.00 H new ATOM 0 HA LEU A 58 2.345 -12.921 -14.439 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.180 -14.661 -16.647 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.303 -13.249 -17.201 1.00 0.00 H new ATOM 0 HG LEU A 58 4.686 -12.854 -17.243 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.781 -10.747 -15.872 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.233 -10.913 -16.734 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.326 -11.278 -14.995 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.081 -12.708 -15.200 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.726 -13.355 -14.245 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.486 -14.358 -15.502 1.00 0.00 H new ATOM 860 N ASP A 59 -0.248 -14.479 -15.766 1.00 0.00 N ATOM 861 CA ASP A 59 -1.680 -14.372 -16.150 1.00 0.00 C ATOM 862 C ASP A 59 -2.527 -14.160 -14.866 1.00 0.00 C ATOM 863 O ASP A 59 -3.578 -13.508 -14.903 1.00 0.00 O ATOM 864 CB ASP A 59 -2.146 -15.605 -16.978 1.00 0.00 C ATOM 865 CG ASP A 59 -3.567 -15.530 -17.561 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.542 -15.764 -16.814 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.711 -15.230 -18.767 1.00 0.00 O ATOM 0 H ASP A 59 0.117 -15.430 -15.812 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.820 -13.512 -16.804 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.445 -15.751 -17.800 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.082 -16.489 -16.343 1.00 0.00 H new ATOM 872 N ALA A 60 -2.069 -14.745 -13.743 1.00 0.00 N ATOM 873 CA ALA A 60 -2.775 -14.655 -12.437 1.00 0.00 C ATOM 874 C ALA A 60 -2.709 -13.200 -11.896 1.00 0.00 C ATOM 875 O ALA A 60 -3.659 -12.717 -11.269 1.00 0.00 O ATOM 876 CB ALA A 60 -2.147 -15.663 -11.454 1.00 0.00 C ATOM 0 H ALA A 60 -1.208 -15.290 -13.708 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.828 -14.908 -12.560 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.660 -15.603 -10.494 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.245 -16.672 -11.855 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.091 -15.428 -11.317 1.00 0.00 H new ATOM 882 N ILE A 61 -1.575 -12.523 -12.151 1.00 0.00 N ATOM 883 CA ILE A 61 -1.298 -11.163 -11.617 1.00 0.00 C ATOM 884 C ILE A 61 -2.369 -10.225 -12.239 1.00 0.00 C ATOM 885 O ILE A 61 -2.942 -9.377 -11.543 1.00 0.00 O ATOM 886 CB ILE A 61 0.194 -10.724 -11.869 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.122 -11.006 -10.644 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.313 -9.235 -12.293 1.00 0.00 C ATOM 889 CD1 ILE A 61 1.839 -9.783 -10.051 1.00 0.00 C ATOM 0 H ILE A 61 -0.823 -12.895 -12.730 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.382 -11.125 -10.531 1.00 0.00 H new ATOM 0 HB ILE A 61 0.536 -11.342 -12.699 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.524 -11.469 -9.859 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.875 -11.735 -10.943 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.362 -8.985 -12.454 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.244 -9.074 -13.216 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.095 -8.599 -11.507 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.455 -10.096 -9.208 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.472 -9.327 -10.813 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.100 -9.057 -9.711 1.00 0.00 H new ATOM 901 N ILE A 62 -2.627 -10.392 -13.549 1.00 0.00 N ATOM 902 CA ILE A 62 -3.540 -9.513 -14.328 1.00 0.00 C ATOM 903 C ILE A 62 -4.978 -9.832 -13.832 1.00 0.00 C ATOM 904 O ILE A 62 -5.831 -8.939 -13.765 1.00 0.00 O ATOM 905 CB ILE A 62 -3.324 -9.668 -15.880 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.959 -9.080 -16.361 1.00 0.00 C ATOM 907 CG2 ILE A 62 -4.487 -9.057 -16.709 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.933 -8.534 -17.798 1.00 0.00 C ATOM 0 H ILE A 62 -2.211 -11.139 -14.105 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.334 -8.456 -14.159 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.309 -10.743 -16.058 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.672 -8.277 -15.682 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.200 -9.857 -16.274 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.286 -9.192 -17.772 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.420 -9.557 -16.450 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.572 -7.993 -16.488 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.938 -8.152 -18.024 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.182 -9.334 -18.496 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.661 -7.729 -17.894 1.00 0.00 H new ATOM 920 N GLU A 63 -5.234 -11.115 -13.514 1.00 0.00 N ATOM 921 CA GLU A 63 -6.561 -11.580 -13.024 1.00 0.00 C ATOM 922 C GLU A 63 -7.021 -10.629 -11.886 1.00 0.00 C ATOM 923 O GLU A 63 -8.108 -10.043 -11.954 1.00 0.00 O ATOM 924 CB GLU A 63 -6.494 -13.075 -12.596 1.00 0.00 C ATOM 925 CG GLU A 63 -7.819 -13.870 -12.658 1.00 0.00 C ATOM 926 CD GLU A 63 -8.796 -13.551 -11.522 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.365 -12.979 -10.495 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.999 -13.873 -11.648 1.00 0.00 O ATOM 0 H GLU A 63 -4.539 -11.858 -13.586 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.307 -11.538 -13.818 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.764 -13.579 -13.229 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.116 -13.121 -11.575 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.308 -13.666 -13.611 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.592 -14.936 -12.638 1.00 0.00 H new ATOM 935 N GLU A 64 -6.191 -10.515 -10.833 1.00 0.00 N ATOM 936 CA GLU A 64 -6.529 -9.734 -9.614 1.00 0.00 C ATOM 937 C GLU A 64 -6.997 -8.319 -10.051 1.00 0.00 C ATOM 938 O GLU A 64 -8.197 -8.018 -10.036 1.00 0.00 O ATOM 939 CB GLU A 64 -5.321 -9.716 -8.634 1.00 0.00 C ATOM 940 CG GLU A 64 -5.306 -10.804 -7.535 1.00 0.00 C ATOM 941 CD GLU A 64 -4.778 -12.163 -8.005 1.00 0.00 C ATOM 942 OE1 GLU A 64 -3.541 -12.333 -8.099 1.00 0.00 O ATOM 943 OE2 GLU A 64 -5.596 -13.067 -8.286 1.00 0.00 O ATOM 0 H GLU A 64 -5.272 -10.956 -10.796 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.348 -10.197 -9.064 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.406 -9.810 -9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.290 -8.741 -8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.693 -10.456 -6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.319 -10.933 -7.153 1.00 0.00 H new ATOM 950 N VAL A 65 -6.031 -7.461 -10.428 1.00 0.00 N ATOM 951 CA VAL A 65 -6.304 -6.066 -10.867 1.00 0.00 C ATOM 952 C VAL A 65 -6.992 -6.141 -12.257 1.00 0.00 C ATOM 953 O VAL A 65 -7.569 -7.175 -12.619 1.00 0.00 O ATOM 954 CB VAL A 65 -5.007 -5.180 -10.849 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.220 -5.242 -12.180 1.00 0.00 C ATOM 956 CG2 VAL A 65 -5.259 -3.690 -10.508 1.00 0.00 C ATOM 0 H VAL A 65 -5.041 -7.707 -10.440 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.975 -5.566 -10.169 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.416 -5.621 -10.046 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.334 -4.611 -12.109 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.918 -6.271 -12.376 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.853 -4.888 -12.994 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.312 -3.150 -10.517 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.932 -3.256 -11.248 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.711 -3.614 -9.519 1.00 0.00 H new ATOM 966 N ASP A 66 -6.925 -5.037 -13.025 1.00 0.00 N ATOM 967 CA ASP A 66 -7.535 -4.956 -14.380 1.00 0.00 C ATOM 968 C ASP A 66 -9.066 -5.180 -14.249 1.00 0.00 C ATOM 969 O ASP A 66 -9.616 -6.168 -14.753 1.00 0.00 O ATOM 970 CB ASP A 66 -6.863 -5.949 -15.372 1.00 0.00 C ATOM 971 CG ASP A 66 -6.782 -5.490 -16.838 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.553 -4.588 -17.235 1.00 0.00 O ATOM 973 OD2 ASP A 66 -5.951 -6.036 -17.597 1.00 0.00 O ATOM 0 H ASP A 66 -6.453 -4.181 -12.734 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.364 -3.966 -14.803 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.852 -6.154 -15.020 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.410 -6.891 -15.337 1.00 0.00 H new ATOM 978 N GLU A 67 -9.741 -4.259 -13.536 1.00 0.00 N ATOM 979 CA GLU A 67 -11.199 -4.323 -13.255 1.00 0.00 C ATOM 980 C GLU A 67 -11.983 -3.649 -14.413 1.00 0.00 C ATOM 981 O GLU A 67 -13.102 -3.150 -14.201 1.00 0.00 O ATOM 982 CB GLU A 67 -11.499 -3.682 -11.865 1.00 0.00 C ATOM 983 CG GLU A 67 -11.526 -2.136 -11.811 1.00 0.00 C ATOM 984 CD GLU A 67 -12.483 -1.561 -10.762 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.153 -1.599 -9.556 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.571 -1.071 -11.139 1.00 0.00 O ATOM 0 H GLU A 67 -9.290 -3.438 -13.132 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.530 -5.360 -13.204 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.464 -4.053 -11.519 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.749 -4.035 -11.157 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.519 -1.773 -11.605 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.808 -1.754 -12.792 1.00 0.00 H new ATOM 993 N ASP A 68 -11.412 -3.633 -15.631 1.00 0.00 N ATOM 994 CA ASP A 68 -12.028 -2.983 -16.819 1.00 0.00 C ATOM 995 C ASP A 68 -12.290 -4.065 -17.900 1.00 0.00 C ATOM 996 O ASP A 68 -13.340 -4.072 -18.555 1.00 0.00 O ATOM 997 CB ASP A 68 -11.154 -1.808 -17.347 1.00 0.00 C ATOM 998 CG ASP A 68 -9.706 -1.755 -16.829 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.501 -1.427 -15.640 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -8.772 -2.037 -17.612 1.00 0.00 O ATOM 0 H ASP A 68 -10.511 -4.068 -15.827 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.981 -2.535 -16.539 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.127 -1.863 -18.435 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.646 -0.871 -17.087 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.330 -4.998 -18.064 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.449 -6.108 -19.043 1.00 0.00 C ATOM 1007 C GLY A 69 -10.709 -5.747 -20.357 1.00 0.00 C ATOM 1008 O GLY A 69 -11.304 -5.763 -21.442 1.00 0.00 O ATOM 0 H GLY A 69 -10.460 -5.008 -17.532 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.030 -7.021 -18.621 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.500 -6.307 -19.252 1.00 0.00 H new ATOM 1012 N SER A 70 -9.407 -5.426 -20.237 1.00 0.00 N ATOM 1013 CA SER A 70 -8.562 -4.996 -21.382 1.00 0.00 C ATOM 1014 C SER A 70 -7.429 -6.029 -21.617 1.00 0.00 C ATOM 1015 O SER A 70 -7.073 -6.341 -22.760 1.00 0.00 O ATOM 1016 CB SER A 70 -8.016 -3.574 -21.113 1.00 0.00 C ATOM 1017 OG SER A 70 -7.546 -3.443 -19.775 1.00 0.00 O ATOM 0 H SER A 70 -8.906 -5.455 -19.349 1.00 0.00 H new ATOM 0 HA SER A 70 -9.155 -4.955 -22.295 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.205 -3.356 -21.808 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.800 -2.840 -21.298 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.876 -6.573 -20.513 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.795 -7.589 -20.575 1.00 0.00 C ATOM 1025 C GLY A 71 -4.416 -6.897 -20.730 1.00 0.00 C ATOM 1026 O GLY A 71 -3.506 -7.439 -21.371 1.00 0.00 O ATOM 0 H GLY A 71 -7.159 -6.327 -19.564 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.805 -8.197 -19.670 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.968 -8.263 -21.414 1.00 0.00 H new ATOM 1030 N THR A 72 -4.283 -5.697 -20.133 1.00 0.00 N ATOM 1031 CA THR A 72 -3.030 -4.899 -20.166 1.00 0.00 C ATOM 1032 C THR A 72 -3.039 -3.906 -18.972 1.00 0.00 C ATOM 1033 O THR A 72 -3.954 -3.925 -18.139 1.00 0.00 O ATOM 1034 CB THR A 72 -2.822 -4.188 -21.540 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.845 -3.222 -21.767 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.772 -5.123 -22.763 1.00 0.00 C ATOM 0 H THR A 72 -5.037 -5.249 -19.613 1.00 0.00 H new ATOM 0 HA THR A 72 -2.174 -5.566 -20.059 1.00 0.00 H new ATOM 0 HB THR A 72 -1.839 -3.726 -21.452 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.697 -2.786 -22.632 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.625 -4.532 -23.667 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.946 -5.826 -22.650 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.710 -5.674 -22.838 1.00 0.00 H new ATOM 1044 N ILE A 73 -2.024 -3.023 -18.916 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.884 -2.003 -17.841 1.00 0.00 C ATOM 1046 C ILE A 73 -1.429 -0.694 -18.545 1.00 0.00 C ATOM 1047 O ILE A 73 -0.248 -0.328 -18.490 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.939 -2.496 -16.681 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.337 -3.905 -16.137 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.851 -1.480 -15.511 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.014 -4.168 -14.657 1.00 0.00 C ATOM 0 H ILE A 73 -1.276 -2.990 -19.609 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.826 -1.819 -17.324 1.00 0.00 H new ATOM 0 HB ILE A 73 0.049 -2.577 -17.134 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.408 -4.041 -16.285 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.833 -4.661 -16.739 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.187 -1.870 -14.740 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.460 -0.532 -15.881 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.844 -1.323 -15.090 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.333 -5.175 -14.388 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.060 -4.073 -14.496 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.540 -3.443 -14.035 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.382 0.009 -19.184 1.00 0.00 N ATOM 1064 CA ASP A 74 -2.106 1.278 -19.910 1.00 0.00 C ATOM 1065 C ASP A 74 -1.797 2.394 -18.875 1.00 0.00 C ATOM 1066 O ASP A 74 -2.167 2.283 -17.699 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.273 1.655 -20.868 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.067 0.479 -21.462 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -5.027 0.008 -20.814 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -3.726 0.019 -22.575 1.00 0.00 O ATOM 0 H ASP A 74 -3.360 -0.278 -19.216 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.232 1.150 -20.549 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.967 2.299 -20.327 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.866 2.244 -21.690 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.132 3.472 -19.331 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.826 4.655 -18.483 1.00 0.00 C ATOM 1077 C PHE A 75 -2.139 5.197 -17.856 1.00 0.00 C ATOM 1078 O PHE A 75 -2.100 5.866 -16.813 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.088 5.746 -19.317 1.00 0.00 C ATOM 1080 CG PHE A 75 0.464 6.934 -18.503 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.627 6.790 -17.737 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -0.202 8.166 -18.511 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.109 7.858 -16.984 1.00 0.00 C ATOM 1084 CE2 PHE A 75 0.283 9.232 -17.757 1.00 0.00 C ATOM 1085 CZ PHE A 75 1.437 9.077 -16.994 1.00 0.00 C ATOM 0 H PHE A 75 -0.791 3.554 -20.289 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.158 4.362 -17.673 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.739 5.276 -19.850 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.775 6.131 -20.071 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.153 5.847 -17.730 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.096 8.290 -19.105 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.005 7.740 -16.392 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.236 10.179 -17.764 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.812 9.904 -16.409 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.287 4.935 -18.508 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.608 5.470 -18.083 1.00 0.00 C ATOM 1097 C GLU A 76 -5.297 4.452 -17.134 1.00 0.00 C ATOM 1098 O GLU A 76 -6.504 4.201 -17.251 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.489 5.827 -19.316 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.257 7.194 -20.006 1.00 0.00 C ATOM 1101 CD GLU A 76 -4.455 8.195 -19.169 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -3.206 8.144 -19.197 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -5.072 9.041 -18.483 1.00 0.00 O ATOM 0 H GLU A 76 -3.333 4.349 -19.342 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.465 6.399 -17.531 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.347 5.047 -20.064 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.533 5.784 -19.004 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.737 7.028 -20.949 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.224 7.634 -20.249 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.514 3.878 -16.201 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.019 2.916 -15.186 1.00 0.00 C ATOM 1112 C GLU A 77 -3.965 2.755 -14.057 1.00 0.00 C ATOM 1113 O GLU A 77 -4.315 2.689 -12.873 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.389 1.545 -15.826 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.649 0.304 -15.273 1.00 0.00 C ATOM 1116 CD GLU A 77 -4.803 -0.933 -16.161 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -4.935 -0.780 -17.396 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -4.788 -2.065 -15.629 1.00 0.00 O ATOM 0 H GLU A 77 -3.514 4.064 -16.124 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.938 3.313 -14.755 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.460 1.388 -15.700 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.199 1.606 -16.898 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.590 0.538 -15.167 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.027 0.077 -14.276 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.678 2.686 -14.444 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.547 2.524 -13.491 1.00 0.00 C ATOM 1127 C PHE A 78 -1.636 3.639 -12.413 1.00 0.00 C ATOM 1128 O PHE A 78 -1.290 3.419 -11.247 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.186 2.537 -14.252 1.00 0.00 C ATOM 1130 CG PHE A 78 1.052 2.219 -13.388 1.00 0.00 C ATOM 1131 CD1 PHE A 78 0.923 1.491 -12.199 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.326 2.614 -13.814 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.050 1.180 -11.441 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.451 2.300 -13.054 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.312 1.586 -11.868 1.00 0.00 C ATOM 0 H PHE A 78 -2.386 2.740 -15.420 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.611 1.559 -12.989 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.236 1.814 -15.066 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.051 3.519 -14.705 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.053 1.169 -11.868 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.437 3.165 -14.736 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.945 0.624 -10.521 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.431 2.611 -13.386 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.184 1.346 -11.278 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.075 4.841 -12.832 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.114 6.041 -11.955 1.00 0.00 C ATOM 1147 C LEU A 79 -3.112 5.768 -10.796 1.00 0.00 C ATOM 1148 O LEU A 79 -2.828 6.080 -9.632 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.511 7.310 -12.769 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.411 7.973 -13.648 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.663 9.486 -13.813 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.010 7.736 -13.097 1.00 0.00 C ATOM 0 H LEU A 79 -2.412 5.014 -13.779 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.125 6.233 -11.539 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.346 7.046 -13.418 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.877 8.059 -12.067 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.472 7.492 -14.624 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.878 9.920 -14.432 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.630 9.644 -14.290 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.659 9.964 -12.834 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.738 8.220 -13.748 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.086 8.155 -12.094 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.212 6.666 -13.059 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.288 5.208 -11.134 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.359 4.891 -10.150 1.00 0.00 C ATOM 1166 C VAL A 80 -4.811 3.815 -9.174 1.00 0.00 C ATOM 1167 O VAL A 80 -5.214 3.767 -8.004 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.697 4.477 -10.860 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.422 3.314 -10.142 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.708 5.638 -11.037 1.00 0.00 C ATOM 0 H VAL A 80 -4.530 4.960 -12.093 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.622 5.777 -9.572 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.366 4.155 -11.847 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.340 3.071 -10.678 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.773 2.439 -10.120 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.665 3.611 -9.122 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.604 5.268 -11.535 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.976 6.039 -10.060 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.256 6.425 -11.641 1.00 0.00 H new ATOM 1180 N MET A 81 -3.919 2.939 -9.674 1.00 0.00 N ATOM 1181 CA MET A 81 -3.307 1.845 -8.873 1.00 0.00 C ATOM 1182 C MET A 81 -2.581 2.479 -7.655 1.00 0.00 C ATOM 1183 O MET A 81 -2.862 2.133 -6.502 1.00 0.00 O ATOM 1184 CB MET A 81 -2.351 0.974 -9.737 1.00 0.00 C ATOM 1185 CG MET A 81 -2.272 -0.516 -9.356 1.00 0.00 C ATOM 1186 SD MET A 81 -0.715 -1.223 -9.939 1.00 0.00 S ATOM 1187 CE MET A 81 0.467 -0.451 -8.814 1.00 0.00 C ATOM 0 H MET A 81 -3.598 2.964 -10.642 1.00 0.00 H new ATOM 0 HA MET A 81 -4.083 1.169 -8.514 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.665 1.047 -10.778 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.349 1.399 -9.676 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.349 -0.628 -8.274 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.112 -1.056 -9.793 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.434 -0.945 -8.907 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.573 0.604 -9.066 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.109 -0.545 -7.789 1.00 0.00 H new ATOM 1197 N MET A 82 -1.623 3.382 -7.936 1.00 0.00 N ATOM 1198 CA MET A 82 -0.755 3.994 -6.894 1.00 0.00 C ATOM 1199 C MET A 82 -1.602 4.907 -5.965 1.00 0.00 C ATOM 1200 O MET A 82 -1.252 5.103 -4.794 1.00 0.00 O ATOM 1201 CB MET A 82 0.415 4.767 -7.565 1.00 0.00 C ATOM 1202 CG MET A 82 1.658 3.924 -7.911 1.00 0.00 C ATOM 1203 SD MET A 82 2.919 4.072 -6.623 1.00 0.00 S ATOM 1204 CE MET A 82 3.782 2.494 -6.772 1.00 0.00 C ATOM 0 H MET A 82 -1.424 3.710 -8.881 1.00 0.00 H new ATOM 0 HA MET A 82 -0.318 3.211 -6.274 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.044 5.228 -8.481 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.720 5.576 -6.901 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.372 2.879 -8.027 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.069 4.250 -8.867 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.586 2.448 -6.037 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.081 1.678 -6.595 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.201 2.402 -7.774 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.692 5.483 -6.507 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.538 6.473 -5.787 1.00 0.00 C ATOM 1216 C VAL A 83 -4.213 5.741 -4.594 1.00 0.00 C ATOM 1217 O VAL A 83 -4.225 6.254 -3.468 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.556 7.185 -6.749 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.025 7.052 -6.280 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.264 8.688 -6.988 1.00 0.00 C ATOM 0 H VAL A 83 -3.016 5.281 -7.453 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.926 7.286 -5.396 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.417 6.652 -7.690 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.680 7.564 -6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.297 5.998 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.134 7.501 -5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.013 9.101 -7.663 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.298 9.221 -6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.275 8.800 -7.432 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.796 4.560 -4.865 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.588 3.786 -3.872 1.00 0.00 C ATOM 1232 C ARG A 84 -4.757 3.666 -2.566 1.00 0.00 C ATOM 1233 O ARG A 84 -5.247 3.984 -1.475 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.956 2.385 -4.439 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.285 2.327 -5.227 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.307 1.202 -6.280 1.00 0.00 C ATOM 1237 NE ARG A 84 -8.278 0.136 -5.929 1.00 0.00 N ATOM 1238 CZ ARG A 84 -8.345 -1.070 -6.528 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -8.041 -1.216 -7.811 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -8.762 -2.140 -5.865 1.00 0.00 N ATOM 0 H ARG A 84 -4.736 4.108 -5.778 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.524 4.301 -3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.149 2.051 -5.091 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.011 1.678 -3.611 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.110 2.181 -4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.451 3.284 -5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.563 1.620 -7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.310 0.770 -6.371 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.943 0.330 -5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.751 -0.408 -8.361 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.098 -2.136 -8.247 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.038 -2.058 -4.887 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.807 -3.045 -6.334 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.509 3.176 -2.691 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.627 2.893 -1.528 1.00 0.00 C ATOM 1256 C GLN A 85 -2.201 4.242 -0.887 1.00 0.00 C ATOM 1257 O GLN A 85 -2.036 4.335 0.336 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.408 2.036 -1.976 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.663 0.517 -2.135 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.901 -0.365 -1.130 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -1.495 -0.996 -0.255 1.00 0.00 O ATOM 1262 NE2 GLN A 85 0.419 -0.427 -1.227 1.00 0.00 N ATOM 0 H GLN A 85 -3.080 2.964 -3.592 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.159 2.311 -0.775 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.047 2.425 -2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.606 2.175 -1.251 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.731 0.327 -2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.385 0.218 -3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 85 0.902 0.099 -1.955 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.952 -1.001 -0.574 1.00 0.00 H new ATOM 1271 N MET A 86 -2.033 5.278 -1.729 1.00 0.00 N ATOM 1272 CA MET A 86 -1.530 6.609 -1.297 1.00 0.00 C ATOM 1273 C MET A 86 -2.446 7.118 -0.150 1.00 0.00 C ATOM 1274 O MET A 86 -1.978 7.780 0.784 1.00 0.00 O ATOM 1275 CB MET A 86 -1.467 7.606 -2.488 1.00 0.00 C ATOM 1276 CG MET A 86 -0.063 8.119 -2.861 1.00 0.00 C ATOM 1277 SD MET A 86 -0.075 9.921 -2.991 1.00 0.00 S ATOM 1278 CE MET A 86 -1.415 10.181 -4.171 1.00 0.00 C ATOM 0 H MET A 86 -2.239 5.224 -2.726 1.00 0.00 H new ATOM 0 HA MET A 86 -0.507 6.524 -0.930 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.901 7.124 -3.364 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.096 8.465 -2.252 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.659 7.806 -2.107 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.253 7.680 -3.807 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.505 11.245 -4.391 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.200 9.637 -5.091 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.350 9.818 -3.745 1.00 0.00 H new ATOM 1288 N LYS A 87 -3.755 6.822 -0.257 1.00 0.00 N ATOM 1289 CA LYS A 87 -4.785 7.323 0.691 1.00 0.00 C ATOM 1290 C LYS A 87 -4.306 7.025 2.138 1.00 0.00 C ATOM 1291 O LYS A 87 -3.587 6.047 2.376 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.171 6.662 0.447 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.059 7.352 -0.615 1.00 0.00 C ATOM 1294 CD LYS A 87 -7.944 8.498 -0.082 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.449 8.170 -0.001 1.00 0.00 C ATOM 1296 NZ LYS A 87 -10.135 8.471 -1.269 1.00 0.00 N ATOM 0 H LYS A 87 -4.134 6.232 -0.998 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.908 8.395 0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.012 5.627 0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.715 6.640 1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.417 7.746 -1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.702 6.600 -1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.593 8.777 0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.811 9.369 -0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.580 7.116 0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.905 8.744 0.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.145 8.239 -1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.030 9.482 -1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.715 7.905 -2.034 1.00 0.00 H new ATOM 1310 N GLU A 88 -4.714 7.882 3.093 1.00 0.00 N ATOM 1311 CA GLU A 88 -4.343 7.738 4.526 1.00 0.00 C ATOM 1312 C GLU A 88 -5.610 7.320 5.320 1.00 0.00 C ATOM 1313 O GLU A 88 -6.190 8.126 6.056 1.00 0.00 O ATOM 1314 CB GLU A 88 -3.684 9.047 5.048 1.00 0.00 C ATOM 1315 CG GLU A 88 -2.730 8.905 6.258 1.00 0.00 C ATOM 1316 CD GLU A 88 -2.685 10.136 7.170 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -2.964 11.256 6.688 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -2.372 9.988 8.372 1.00 0.00 O ATOM 0 H GLU A 88 -5.306 8.690 2.902 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.594 6.958 4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.128 9.500 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.477 9.744 5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.035 8.041 6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.724 8.701 5.891 1.00 0.00 H new ATOM 1325 N ASP A 89 -6.021 6.048 5.158 1.00 0.00 N ATOM 1326 CA ASP A 89 -7.205 5.481 5.856 1.00 0.00 C ATOM 1327 C ASP A 89 -6.731 4.805 7.172 1.00 0.00 C ATOM 1328 O ASP A 89 -6.210 3.684 7.155 1.00 0.00 O ATOM 1329 CB ASP A 89 -8.003 4.511 4.938 1.00 0.00 C ATOM 1330 CG ASP A 89 -9.404 4.110 5.432 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -9.622 4.065 6.663 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -10.290 3.847 4.589 1.00 0.00 O ATOM 0 H ASP A 89 -5.549 5.383 4.545 1.00 0.00 H new ATOM 0 HA ASP A 89 -7.901 6.282 6.107 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.105 4.974 3.956 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.414 3.604 4.803 1.00 0.00 H new ATOM 1337 N ALA A 90 -6.910 5.513 8.302 1.00 0.00 N ATOM 1338 CA ALA A 90 -6.457 5.040 9.637 1.00 0.00 C ATOM 1339 C ALA A 90 -7.623 4.303 10.324 1.00 0.00 C ATOM 1340 O ALA A 90 -7.817 3.081 10.037 1.00 0.00 O ATOM 1341 CB ALA A 90 -5.934 6.217 10.487 1.00 0.00 C ATOM 1342 OXT ALA A 90 -8.362 4.919 11.153 1.00 0.00 O ATOM 0 H ALA A 90 -7.369 6.424 8.324 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.625 4.346 9.523 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.608 5.847 11.459 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.093 6.688 9.978 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.731 6.948 10.625 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 4.476 -2.335 -24.309 1.00 0.00 CA HETATM 1350 CA CA A 92 -6.201 -2.794 -17.599 1.00 0.00 CA