USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 500 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 HIS : no HD1:sc= -3.1! K(o=-7.2!,f=1.4) USER MOD Set 1.2: A 111 ASN : amide:sc= -4.05! C(o=-7.2!,f=-1.9!) USER MOD Single : A 81 SER OG : rot 40:sc= 0.0579 USER MOD Single : A 86 LYS NZ :NH3+ -132:sc= -1.19 (180deg=-3.84!) USER MOD Single : A 94 LYS NZ :NH3+ 146:sc= 0.494 (180deg=0.00499) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.689 K(o=-0.69,f=-0.092) USER MOD Single : A 101 SER OG : rot 180:sc= -0.117 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 101:sc= 0.927 USER MOD Single : A 115 LYS NZ :NH3+ -148:sc= -0.285 (180deg=-1.33!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00526 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 137 ASN : amide:sc= -2.6! C(o=-2.6!,f=-8!) USER MOD Single : A 138 TYR OH : rot -154:sc= -0.473 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 159:sc= -1.02 (180deg=-1.84) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 81 -17.845 -4.898 -2.213 1.00 0.00 N ATOM 16 CA SER A 81 -16.458 -5.078 -2.620 1.00 0.00 C ATOM 17 C SER A 81 -15.644 -3.836 -2.276 1.00 0.00 C ATOM 18 O SER A 81 -14.544 -3.932 -1.737 1.00 0.00 O ATOM 19 CB SER A 81 -16.385 -5.330 -4.126 1.00 0.00 C ATOM 20 OG SER A 81 -17.090 -6.523 -4.438 1.00 0.00 O ATOM 0 HA SER A 81 -16.047 -5.936 -2.088 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.815 -4.488 -4.668 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.345 -5.415 -4.442 1.00 0.00 H new ATOM 0 HG SER A 81 -17.905 -6.573 -3.896 1.00 0.00 H new ATOM 26 N GLU A 82 -16.190 -2.672 -2.603 1.00 0.00 N ATOM 27 CA GLU A 82 -15.500 -1.415 -2.336 1.00 0.00 C ATOM 28 C GLU A 82 -15.171 -1.299 -0.846 1.00 0.00 C ATOM 29 O GLU A 82 -14.067 -0.895 -0.475 1.00 0.00 O ATOM 30 CB GLU A 82 -16.396 -0.234 -2.790 1.00 0.00 C ATOM 31 CG GLU A 82 -15.660 0.652 -3.804 1.00 0.00 C ATOM 32 CD GLU A 82 -14.466 1.322 -3.135 1.00 0.00 C ATOM 33 OE1 GLU A 82 -14.004 0.797 -2.134 1.00 0.00 O ATOM 34 OE2 GLU A 82 -14.028 2.344 -3.633 1.00 0.00 O ATOM 0 H GLU A 82 -17.101 -2.571 -3.050 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.564 -1.388 -2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.314 -0.618 -3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -16.687 0.361 -1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.325 0.051 -4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.338 1.408 -4.199 1.00 0.00 H new ATOM 41 N GLU A 83 -16.128 -1.659 0.001 1.00 0.00 N ATOM 42 CA GLU A 83 -15.916 -1.592 1.438 1.00 0.00 C ATOM 43 C GLU A 83 -14.802 -2.552 1.842 1.00 0.00 C ATOM 44 O GLU A 83 -13.975 -2.239 2.701 1.00 0.00 O ATOM 45 CB GLU A 83 -17.220 -1.949 2.164 1.00 0.00 C ATOM 46 CG GLU A 83 -18.197 -0.768 2.089 1.00 0.00 C ATOM 47 CD GLU A 83 -18.670 -0.569 0.652 1.00 0.00 C ATOM 48 OE1 GLU A 83 -18.550 -1.502 -0.124 1.00 0.00 O ATOM 49 OE2 GLU A 83 -19.140 0.516 0.350 1.00 0.00 O ATOM 0 H GLU A 83 -17.048 -1.997 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.621 -0.580 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.669 -2.833 1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.012 -2.195 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -19.052 -0.952 2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.712 0.139 2.449 1.00 0.00 H new ATOM 56 N GLU A 84 -14.773 -3.711 1.197 1.00 0.00 N ATOM 57 CA GLU A 84 -13.747 -4.704 1.472 1.00 0.00 C ATOM 58 C GLU A 84 -12.370 -4.172 1.073 1.00 0.00 C ATOM 59 O GLU A 84 -11.381 -4.393 1.769 1.00 0.00 O ATOM 60 CB GLU A 84 -14.089 -5.997 0.714 1.00 0.00 C ATOM 61 CG GLU A 84 -12.842 -6.867 0.561 1.00 0.00 C ATOM 62 CD GLU A 84 -13.236 -8.297 0.207 1.00 0.00 C ATOM 63 OE1 GLU A 84 -14.392 -8.508 -0.120 1.00 0.00 O ATOM 64 OE2 GLU A 84 -12.375 -9.160 0.267 1.00 0.00 O ATOM 0 H GLU A 84 -15.447 -3.985 0.482 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.716 -4.919 2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.862 -6.548 1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.494 -5.754 -0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.197 -6.457 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.269 -6.859 1.488 1.00 0.00 H new ATOM 71 N LEU A 85 -12.314 -3.469 -0.047 1.00 0.00 N ATOM 72 CA LEU A 85 -11.055 -2.907 -0.517 1.00 0.00 C ATOM 73 C LEU A 85 -10.506 -1.924 0.511 1.00 0.00 C ATOM 74 O LEU A 85 -9.314 -1.926 0.819 1.00 0.00 O ATOM 75 CB LEU A 85 -11.274 -2.188 -1.854 1.00 0.00 C ATOM 76 CG LEU A 85 -9.990 -1.494 -2.315 1.00 0.00 C ATOM 77 CD1 LEU A 85 -8.832 -2.497 -2.373 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.219 -0.903 -3.709 1.00 0.00 C ATOM 0 H LEU A 85 -13.118 -3.274 -0.644 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.337 -3.715 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.596 -2.905 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.073 -1.453 -1.750 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.735 -0.705 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.926 -1.988 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.669 -2.923 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.076 -3.294 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.310 -0.406 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.476 -1.701 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.034 -0.180 -3.668 1.00 0.00 H new ATOM 90 N LYS A 86 -11.392 -1.091 1.034 1.00 0.00 N ATOM 91 CA LYS A 86 -11.011 -0.099 2.033 1.00 0.00 C ATOM 92 C LYS A 86 -10.511 -0.782 3.301 1.00 0.00 C ATOM 93 O LYS A 86 -9.599 -0.286 3.965 1.00 0.00 O ATOM 94 CB LYS A 86 -12.197 0.809 2.334 1.00 0.00 C ATOM 95 CG LYS A 86 -12.484 1.647 1.087 1.00 0.00 C ATOM 96 CD LYS A 86 -13.754 2.479 1.295 1.00 0.00 C ATOM 97 CE LYS A 86 -13.470 3.677 2.212 1.00 0.00 C ATOM 98 NZ LYS A 86 -13.505 3.230 3.632 1.00 0.00 N ATOM 0 H LYS A 86 -12.381 -1.080 0.785 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.197 0.510 1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.071 0.216 2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.976 1.455 3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.639 2.304 0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.604 0.996 0.221 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.127 2.831 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.535 1.857 1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.496 4.106 1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.211 4.460 2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.092 3.884 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.908 2.273 3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.539 3.220 4.017 1.00 0.00 H new ATOM 112 N GLU A 87 -11.072 -1.948 3.605 1.00 0.00 N ATOM 113 CA GLU A 87 -10.615 -2.698 4.771 1.00 0.00 C ATOM 114 C GLU A 87 -9.174 -3.127 4.525 1.00 0.00 C ATOM 115 O GLU A 87 -8.312 -3.008 5.398 1.00 0.00 O ATOM 116 CB GLU A 87 -11.499 -3.923 5.018 1.00 0.00 C ATOM 117 CG GLU A 87 -12.862 -3.471 5.549 1.00 0.00 C ATOM 118 CD GLU A 87 -13.802 -4.666 5.663 1.00 0.00 C ATOM 119 OE1 GLU A 87 -13.376 -5.763 5.338 1.00 0.00 O ATOM 120 OE2 GLU A 87 -14.933 -4.467 6.074 1.00 0.00 O ATOM 0 H GLU A 87 -11.826 -2.386 3.075 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.676 -2.067 5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.626 -4.486 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.021 -4.591 5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.743 -2.998 6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.291 -2.723 4.882 1.00 0.00 H new ATOM 127 N ALA A 88 -8.919 -3.601 3.306 1.00 0.00 N ATOM 128 CA ALA A 88 -7.578 -4.020 2.918 1.00 0.00 C ATOM 129 C ALA A 88 -6.633 -2.828 3.001 1.00 0.00 C ATOM 130 O ALA A 88 -5.518 -2.928 3.504 1.00 0.00 O ATOM 131 CB ALA A 88 -7.598 -4.566 1.491 1.00 0.00 C ATOM 0 H ALA A 88 -9.622 -3.703 2.574 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.234 -4.804 3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.593 -4.878 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.272 -5.421 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.944 -3.789 0.809 1.00 0.00 H new ATOM 137 N PHE A 89 -7.100 -1.689 2.512 1.00 0.00 N ATOM 138 CA PHE A 89 -6.308 -0.470 2.545 1.00 0.00 C ATOM 139 C PHE A 89 -5.969 -0.096 3.987 1.00 0.00 C ATOM 140 O PHE A 89 -4.832 0.258 4.300 1.00 0.00 O ATOM 141 CB PHE A 89 -7.099 0.651 1.887 1.00 0.00 C ATOM 142 CG PHE A 89 -6.371 1.952 2.070 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.322 2.301 1.213 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.746 2.802 3.109 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.649 3.510 1.400 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.073 4.009 3.301 1.00 0.00 C ATOM 147 CZ PHE A 89 -5.024 4.364 2.445 1.00 0.00 C ATOM 0 H PHE A 89 -8.022 -1.584 2.088 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.375 -0.629 2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.231 0.442 0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.095 0.714 2.326 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.034 1.638 0.410 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.558 2.526 3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.840 3.786 0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.361 4.667 4.107 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.503 5.299 2.591 1.00 0.00 H new ATOM 157 N ARG A 90 -6.970 -0.174 4.854 1.00 0.00 N ATOM 158 CA ARG A 90 -6.794 0.156 6.261 1.00 0.00 C ATOM 159 C ARG A 90 -5.769 -0.776 6.908 1.00 0.00 C ATOM 160 O ARG A 90 -5.019 -0.371 7.798 1.00 0.00 O ATOM 161 CB ARG A 90 -8.135 0.036 6.982 1.00 0.00 C ATOM 162 CG ARG A 90 -8.052 0.724 8.341 1.00 0.00 C ATOM 163 CD ARG A 90 -9.395 0.585 9.056 1.00 0.00 C ATOM 164 NE ARG A 90 -9.643 -0.815 9.380 1.00 0.00 N ATOM 165 CZ ARG A 90 -10.785 -1.207 9.935 1.00 0.00 C ATOM 166 NH1 ARG A 90 -11.911 -1.052 9.293 1.00 0.00 N ATOM 167 NH2 ARG A 90 -10.780 -1.749 11.121 1.00 0.00 N ATOM 0 H ARG A 90 -7.916 -0.464 4.606 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.427 1.179 6.341 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.923 0.490 6.382 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.397 -1.014 7.111 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.259 0.277 8.941 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.801 1.777 8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.395 1.184 9.967 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.195 0.968 8.423 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.924 -1.509 9.176 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.915 -0.630 8.365 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.787 -1.353 9.720 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.900 -1.872 11.622 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.656 -2.050 11.548 1.00 0.00 H new ATOM 181 N VAL A 91 -5.723 -2.017 6.429 1.00 0.00 N ATOM 182 CA VAL A 91 -4.764 -2.996 6.941 1.00 0.00 C ATOM 183 C VAL A 91 -3.346 -2.563 6.579 1.00 0.00 C ATOM 184 O VAL A 91 -2.427 -2.630 7.396 1.00 0.00 O ATOM 185 CB VAL A 91 -5.051 -4.380 6.329 1.00 0.00 C ATOM 186 CG1 VAL A 91 -3.885 -5.337 6.603 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.343 -4.957 6.923 1.00 0.00 C ATOM 0 H VAL A 91 -6.334 -2.368 5.692 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.860 -3.056 8.025 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.168 -4.266 5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.103 -6.311 6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.973 -4.936 6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.749 -5.446 7.679 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.539 -5.936 6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.234 -5.058 8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.175 -4.288 6.703 1.00 0.00 H new ATOM 197 N PHE A 92 -3.185 -2.134 5.329 1.00 0.00 N ATOM 198 CA PHE A 92 -1.889 -1.703 4.818 1.00 0.00 C ATOM 199 C PHE A 92 -1.343 -0.484 5.554 1.00 0.00 C ATOM 200 O PHE A 92 -0.141 -0.385 5.793 1.00 0.00 O ATOM 201 CB PHE A 92 -2.022 -1.353 3.326 1.00 0.00 C ATOM 202 CG PHE A 92 -2.022 -2.608 2.484 1.00 0.00 C ATOM 203 CD1 PHE A 92 -0.874 -3.401 2.422 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.159 -2.971 1.757 1.00 0.00 C ATOM 205 CE1 PHE A 92 -0.864 -4.553 1.631 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.154 -4.119 0.971 1.00 0.00 C ATOM 207 CZ PHE A 92 -2.005 -4.915 0.905 1.00 0.00 C ATOM 0 H PHE A 92 -3.943 -2.076 4.649 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.193 -2.528 4.972 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.944 -0.796 3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.199 -0.706 3.024 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.005 -3.124 2.985 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.046 -2.357 1.806 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.025 -5.165 1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.036 -4.396 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.998 -5.807 0.295 1.00 0.00 H new ATOM 217 N ASP A 93 -2.218 0.457 5.877 1.00 0.00 N ATOM 218 CA ASP A 93 -1.795 1.687 6.548 1.00 0.00 C ATOM 219 C ASP A 93 -1.888 1.570 8.068 1.00 0.00 C ATOM 220 O ASP A 93 -2.848 2.042 8.679 1.00 0.00 O ATOM 221 CB ASP A 93 -2.672 2.844 6.068 1.00 0.00 C ATOM 222 CG ASP A 93 -2.030 4.185 6.417 1.00 0.00 C ATOM 223 OD1 ASP A 93 -0.818 4.225 6.565 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.761 5.155 6.527 1.00 0.00 O ATOM 0 H ASP A 93 -3.219 0.398 5.689 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.750 1.868 6.296 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.818 2.774 4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.658 2.776 6.528 1.00 0.00 H new ATOM 229 N LYS A 94 -0.882 0.947 8.668 1.00 0.00 N ATOM 230 CA LYS A 94 -0.863 0.787 10.122 1.00 0.00 C ATOM 231 C LYS A 94 -0.883 2.161 10.789 1.00 0.00 C ATOM 232 O LYS A 94 -1.592 2.387 11.769 1.00 0.00 O ATOM 233 CB LYS A 94 0.392 0.007 10.552 1.00 0.00 C ATOM 234 CG LYS A 94 1.614 0.934 10.565 1.00 0.00 C ATOM 235 CD LYS A 94 2.894 0.118 10.743 1.00 0.00 C ATOM 236 CE LYS A 94 4.103 1.062 10.785 1.00 0.00 C ATOM 237 NZ LYS A 94 4.239 1.626 12.157 1.00 0.00 N ATOM 0 H LYS A 94 -0.078 0.549 8.182 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.745 0.226 10.432 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.241 -0.421 11.543 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.564 -0.824 9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.661 1.499 9.634 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.521 1.659 11.374 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.842 -0.464 11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.002 -0.592 9.923 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.010 0.523 10.509 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.977 1.866 10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.246 1.760 12.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.749 2.542 12.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.817 0.971 12.845 1.00 0.00 H new ATOM 251 N ASP A 95 -0.079 3.068 10.239 1.00 0.00 N ATOM 252 CA ASP A 95 0.025 4.421 10.766 1.00 0.00 C ATOM 253 C ASP A 95 -1.314 5.140 10.640 1.00 0.00 C ATOM 254 O ASP A 95 -1.636 6.022 11.430 1.00 0.00 O ATOM 255 CB ASP A 95 1.118 5.187 10.006 1.00 0.00 C ATOM 256 CG ASP A 95 2.399 4.356 9.954 1.00 0.00 C ATOM 257 OD1 ASP A 95 2.709 3.713 10.943 1.00 0.00 O ATOM 258 OD2 ASP A 95 3.053 4.374 8.921 1.00 0.00 O ATOM 0 H ASP A 95 0.510 2.887 9.426 1.00 0.00 H new ATOM 0 HA ASP A 95 0.292 4.375 11.822 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.779 5.412 8.995 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.313 6.141 10.496 1.00 0.00 H new ATOM 263 N GLN A 96 -2.102 4.748 9.656 1.00 0.00 N ATOM 264 CA GLN A 96 -3.422 5.361 9.465 1.00 0.00 C ATOM 265 C GLN A 96 -3.288 6.839 9.053 1.00 0.00 C ATOM 266 O GLN A 96 -4.101 7.664 9.465 1.00 0.00 O ATOM 267 CB GLN A 96 -4.226 5.261 10.804 1.00 0.00 C ATOM 268 CG GLN A 96 -5.728 5.189 10.570 1.00 0.00 C ATOM 269 CD GLN A 96 -6.493 5.809 11.734 1.00 0.00 C ATOM 270 OE1 GLN A 96 -6.586 5.194 12.811 1.00 0.00 O ATOM 271 NE2 GLN A 96 -7.033 6.976 11.556 1.00 0.00 N ATOM 0 H GLN A 96 -1.865 4.020 8.982 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.946 4.831 8.669 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.903 4.377 11.354 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.998 6.126 11.428 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.981 5.709 9.646 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.031 4.149 10.444 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.936 7.451 10.659 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.554 7.418 12.313 1.00 0.00 H new ATOM 280 N ASN A 97 -2.285 7.161 8.235 1.00 0.00 N ATOM 281 CA ASN A 97 -2.093 8.547 7.781 1.00 0.00 C ATOM 282 C ASN A 97 -2.889 8.791 6.505 1.00 0.00 C ATOM 283 O ASN A 97 -2.924 9.907 5.984 1.00 0.00 O ATOM 284 CB ASN A 97 -0.608 8.808 7.513 1.00 0.00 C ATOM 285 CG ASN A 97 0.197 8.622 8.798 1.00 0.00 C ATOM 286 OD1 ASN A 97 1.321 8.127 8.759 1.00 0.00 O ATOM 287 ND2 ASN A 97 -0.319 8.992 9.940 1.00 0.00 N ATOM 0 H ASN A 97 -1.601 6.496 7.876 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.444 9.224 8.560 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.244 8.126 6.744 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.471 9.820 7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.211 8.870 10.803 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.252 9.403 9.969 1.00 0.00 H new ATOM 294 N GLY A 98 -3.525 7.734 6.025 1.00 0.00 N ATOM 295 CA GLY A 98 -4.331 7.811 4.812 1.00 0.00 C ATOM 296 C GLY A 98 -3.491 7.474 3.588 1.00 0.00 C ATOM 297 O GLY A 98 -3.980 7.505 2.459 1.00 0.00 O ATOM 0 H GLY A 98 -3.500 6.810 6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.172 7.121 4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.748 8.813 4.709 1.00 0.00 H new ATOM 301 N PHE A 99 -2.217 7.160 3.818 1.00 0.00 N ATOM 302 CA PHE A 99 -1.301 6.814 2.731 1.00 0.00 C ATOM 303 C PHE A 99 -0.488 5.587 3.108 1.00 0.00 C ATOM 304 O PHE A 99 0.016 5.493 4.227 1.00 0.00 O ATOM 305 CB PHE A 99 -0.324 7.962 2.483 1.00 0.00 C ATOM 306 CG PHE A 99 -1.067 9.174 1.983 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.880 9.900 2.857 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.937 9.575 0.651 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.567 11.031 2.399 1.00 0.00 C ATOM 310 CE2 PHE A 99 -1.624 10.704 0.191 1.00 0.00 C ATOM 311 CZ PHE A 99 -2.439 11.432 1.065 1.00 0.00 C ATOM 0 H PHE A 99 -1.795 7.138 4.747 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.893 6.619 1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.206 8.205 3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.427 7.660 1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.979 9.589 3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.307 9.014 -0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.195 11.593 3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.525 11.014 -0.839 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.969 12.303 0.710 1.00 0.00 H new ATOM 321 N ILE A 100 -0.321 4.668 2.166 1.00 0.00 N ATOM 322 CA ILE A 100 0.482 3.481 2.422 1.00 0.00 C ATOM 323 C ILE A 100 1.921 3.800 2.061 1.00 0.00 C ATOM 324 O ILE A 100 2.193 4.401 1.023 1.00 0.00 O ATOM 325 CB ILE A 100 -0.016 2.290 1.608 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.473 2.018 1.972 1.00 0.00 C ATOM 327 CG2 ILE A 100 0.830 1.058 1.937 1.00 0.00 C ATOM 328 CD1 ILE A 100 -2.073 1.018 0.982 1.00 0.00 C ATOM 0 H ILE A 100 -0.725 4.720 1.231 1.00 0.00 H new ATOM 0 HA ILE A 100 0.404 3.209 3.474 1.00 0.00 H new ATOM 0 HB ILE A 100 0.065 2.509 0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.537 1.624 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.042 2.948 1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.475 0.207 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.873 1.256 1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.746 0.832 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.113 0.826 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.023 1.430 -0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.511 0.085 1.021 1.00 0.00 H new ATOM 340 N SER A 101 2.833 3.409 2.934 1.00 0.00 N ATOM 341 CA SER A 101 4.256 3.666 2.720 1.00 0.00 C ATOM 342 C SER A 101 5.016 2.360 2.591 1.00 0.00 C ATOM 343 O SER A 101 4.561 1.319 3.062 1.00 0.00 O ATOM 344 CB SER A 101 4.813 4.468 3.895 1.00 0.00 C ATOM 345 OG SER A 101 6.233 4.400 3.879 1.00 0.00 O ATOM 0 H SER A 101 2.619 2.912 3.799 1.00 0.00 H new ATOM 0 HA SER A 101 4.376 4.235 1.798 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.486 5.506 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.429 4.072 4.835 1.00 0.00 H new ATOM 0 HG SER A 101 6.594 4.915 4.631 1.00 0.00 H new ATOM 351 N ALA A 102 6.189 2.419 1.971 1.00 0.00 N ATOM 352 CA ALA A 102 7.000 1.224 1.824 1.00 0.00 C ATOM 353 C ALA A 102 7.219 0.634 3.203 1.00 0.00 C ATOM 354 O ALA A 102 7.156 -0.579 3.400 1.00 0.00 O ATOM 355 CB ALA A 102 8.347 1.573 1.192 1.00 0.00 C ATOM 0 H ALA A 102 6.591 3.266 1.570 1.00 0.00 H new ATOM 0 HA ALA A 102 6.494 0.507 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.945 0.668 1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.184 2.016 0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.874 2.285 1.828 1.00 0.00 H new ATOM 361 N ALA A 103 7.454 1.524 4.161 1.00 0.00 N ATOM 362 CA ALA A 103 7.662 1.121 5.540 1.00 0.00 C ATOM 363 C ALA A 103 6.502 0.252 6.000 1.00 0.00 C ATOM 364 O ALA A 103 6.700 -0.856 6.498 1.00 0.00 O ATOM 365 CB ALA A 103 7.728 2.370 6.418 1.00 0.00 C ATOM 0 H ALA A 103 7.505 2.531 4.004 1.00 0.00 H new ATOM 0 HA ALA A 103 8.592 0.557 5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.884 2.077 7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.554 3.001 6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.793 2.924 6.334 1.00 0.00 H new ATOM 371 N GLU A 104 5.290 0.765 5.818 1.00 0.00 N ATOM 372 CA GLU A 104 4.105 0.039 6.205 1.00 0.00 C ATOM 373 C GLU A 104 3.970 -1.210 5.346 1.00 0.00 C ATOM 374 O GLU A 104 3.620 -2.281 5.833 1.00 0.00 O ATOM 375 CB GLU A 104 2.886 0.938 6.019 1.00 0.00 C ATOM 376 CG GLU A 104 3.018 2.166 6.913 1.00 0.00 C ATOM 377 CD GLU A 104 1.802 3.070 6.742 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.473 3.375 5.608 1.00 0.00 O ATOM 379 OE2 GLU A 104 1.223 3.447 7.747 1.00 0.00 O ATOM 0 H GLU A 104 5.111 1.680 5.405 1.00 0.00 H new ATOM 0 HA GLU A 104 4.177 -0.259 7.251 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.801 1.242 4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.976 0.391 6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.109 1.859 7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.926 2.713 6.661 1.00 0.00 H new ATOM 386 N LEU A 105 4.262 -1.054 4.060 1.00 0.00 N ATOM 387 CA LEU A 105 4.185 -2.168 3.126 1.00 0.00 C ATOM 388 C LEU A 105 5.203 -3.248 3.510 1.00 0.00 C ATOM 389 O LEU A 105 4.914 -4.443 3.439 1.00 0.00 O ATOM 390 CB LEU A 105 4.457 -1.661 1.699 1.00 0.00 C ATOM 391 CG LEU A 105 3.837 -2.617 0.658 1.00 0.00 C ATOM 392 CD1 LEU A 105 2.344 -2.303 0.464 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.556 -2.456 -0.684 1.00 0.00 C ATOM 0 H LEU A 105 4.553 -0.170 3.643 1.00 0.00 H new ATOM 0 HA LEU A 105 3.187 -2.604 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.041 -0.661 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.531 -1.581 1.534 1.00 0.00 H new ATOM 0 HG LEU A 105 3.946 -3.640 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.921 -2.986 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.821 -2.424 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.230 -1.277 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.115 -3.133 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.452 -1.428 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.613 -2.693 -0.561 1.00 0.00 H new ATOM 405 N ARG A 106 6.386 -2.810 3.934 1.00 0.00 N ATOM 406 CA ARG A 106 7.427 -3.733 4.351 1.00 0.00 C ATOM 407 C ARG A 106 6.978 -4.517 5.580 1.00 0.00 C ATOM 408 O ARG A 106 7.119 -5.739 5.643 1.00 0.00 O ATOM 409 CB ARG A 106 8.700 -2.958 4.678 1.00 0.00 C ATOM 410 CG ARG A 106 9.867 -3.929 4.797 1.00 0.00 C ATOM 411 CD ARG A 106 11.144 -3.151 5.092 1.00 0.00 C ATOM 412 NE ARG A 106 11.092 -2.561 6.426 1.00 0.00 N ATOM 413 CZ ARG A 106 12.067 -1.769 6.866 1.00 0.00 C ATOM 414 NH1 ARG A 106 12.535 -0.821 6.101 1.00 0.00 N ATOM 415 NH2 ARG A 106 12.558 -1.940 8.063 1.00 0.00 N ATOM 0 H ARG A 106 6.643 -1.825 3.996 1.00 0.00 H new ATOM 0 HA ARG A 106 7.623 -4.432 3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.902 -2.223 3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.574 -2.407 5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.675 -4.650 5.592 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.979 -4.496 3.873 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.006 -3.814 5.016 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.278 -2.367 4.347 1.00 0.00 H new ATOM 0 HE ARG A 106 10.295 -2.759 7.031 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.154 -0.686 5.165 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.282 -0.215 6.439 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.195 -2.681 8.662 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.305 -1.333 8.399 1.00 0.00 H new ATOM 429 N HIS A 107 6.430 -3.795 6.553 1.00 0.00 N ATOM 430 CA HIS A 107 5.957 -4.412 7.787 1.00 0.00 C ATOM 431 C HIS A 107 4.754 -5.318 7.521 1.00 0.00 C ATOM 432 O HIS A 107 4.672 -6.425 8.052 1.00 0.00 O ATOM 433 CB HIS A 107 5.577 -3.322 8.792 1.00 0.00 C ATOM 434 CG HIS A 107 5.161 -3.953 10.089 1.00 0.00 C ATOM 435 ND1 HIS A 107 3.857 -3.895 10.554 1.00 0.00 N ATOM 436 CD2 HIS A 107 5.863 -4.661 11.032 1.00 0.00 C ATOM 437 CE1 HIS A 107 3.815 -4.549 11.729 1.00 0.00 C ATOM 438 NE2 HIS A 107 5.012 -5.037 12.066 1.00 0.00 N ATOM 0 H HIS A 107 6.303 -2.784 6.511 1.00 0.00 H new ATOM 0 HA HIS A 107 6.759 -5.025 8.197 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.423 -2.654 8.956 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.764 -2.715 8.394 1.00 0.00 H new ATOM 0 HD2 HIS A 107 6.917 -4.891 10.979 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.923 -4.665 12.327 1.00 0.00 H new ATOM 0 HE2 HIS A 107 5.251 -5.571 12.902 1.00 0.00 H new ATOM 446 N VAL A 108 3.825 -4.840 6.700 1.00 0.00 N ATOM 447 CA VAL A 108 2.634 -5.617 6.368 1.00 0.00 C ATOM 448 C VAL A 108 3.023 -6.887 5.613 1.00 0.00 C ATOM 449 O VAL A 108 2.533 -7.976 5.910 1.00 0.00 O ATOM 450 CB VAL A 108 1.684 -4.750 5.530 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.494 -5.589 5.048 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.178 -3.567 6.383 1.00 0.00 C ATOM 0 H VAL A 108 3.872 -3.924 6.254 1.00 0.00 H new ATOM 0 HA VAL A 108 2.125 -5.916 7.284 1.00 0.00 H new ATOM 0 HB VAL A 108 2.221 -4.367 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.174 -4.965 4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.856 -6.416 4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.046 -5.982 5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.503 -2.952 5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.647 -3.948 7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.026 -2.965 6.709 1.00 0.00 H new ATOM 462 N MET A 109 3.927 -6.737 4.649 1.00 0.00 N ATOM 463 CA MET A 109 4.407 -7.873 3.865 1.00 0.00 C ATOM 464 C MET A 109 5.206 -8.817 4.765 1.00 0.00 C ATOM 465 O MET A 109 5.270 -10.021 4.523 1.00 0.00 O ATOM 466 CB MET A 109 5.292 -7.375 2.712 1.00 0.00 C ATOM 467 CG MET A 109 4.414 -6.836 1.574 1.00 0.00 C ATOM 468 SD MET A 109 3.517 -8.202 0.793 1.00 0.00 S ATOM 469 CE MET A 109 2.145 -7.225 0.134 1.00 0.00 C ATOM 0 H MET A 109 4.342 -5.842 4.391 1.00 0.00 H new ATOM 0 HA MET A 109 3.554 -8.410 3.450 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.962 -6.592 3.068 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.919 -8.188 2.346 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.709 -6.101 1.963 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.032 -6.325 0.836 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.455 -7.880 -0.398 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.621 -6.734 0.954 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.532 -6.471 -0.552 1.00 0.00 H new ATOM 479 N THR A 110 5.800 -8.258 5.814 1.00 0.00 N ATOM 480 CA THR A 110 6.570 -9.053 6.765 1.00 0.00 C ATOM 481 C THR A 110 5.630 -9.880 7.647 1.00 0.00 C ATOM 482 O THR A 110 5.877 -11.058 7.905 1.00 0.00 O ATOM 483 CB THR A 110 7.435 -8.136 7.630 1.00 0.00 C ATOM 484 OG1 THR A 110 8.333 -7.419 6.795 1.00 0.00 O ATOM 485 CG2 THR A 110 8.228 -8.972 8.635 1.00 0.00 C ATOM 0 H THR A 110 5.764 -7.261 6.027 1.00 0.00 H new ATOM 0 HA THR A 110 7.218 -9.734 6.213 1.00 0.00 H new ATOM 0 HB THR A 110 6.797 -7.437 8.171 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.995 -6.510 6.655 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.843 -8.315 9.250 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.538 -9.525 9.273 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.869 -9.673 8.100 1.00 0.00 H new ATOM 493 N ASN A 111 4.531 -9.255 8.072 1.00 0.00 N ATOM 494 CA ASN A 111 3.523 -9.932 8.888 1.00 0.00 C ATOM 495 C ASN A 111 2.875 -11.032 8.058 1.00 0.00 C ATOM 496 O ASN A 111 2.578 -12.127 8.542 1.00 0.00 O ATOM 497 CB ASN A 111 2.454 -8.927 9.328 1.00 0.00 C ATOM 498 CG ASN A 111 2.993 -8.031 10.437 1.00 0.00 C ATOM 499 OD1 ASN A 111 3.977 -8.373 11.093 1.00 0.00 O ATOM 500 ND2 ASN A 111 2.403 -6.893 10.684 1.00 0.00 N ATOM 0 H ASN A 111 4.316 -8.280 7.864 1.00 0.00 H new ATOM 0 HA ASN A 111 3.994 -10.362 9.772 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.145 -8.319 8.478 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.569 -9.458 9.678 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.757 -6.285 11.422 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.588 -6.612 10.139 1.00 0.00 H new ATOM 507 N LEU A 112 2.668 -10.696 6.796 1.00 0.00 N ATOM 508 CA LEU A 112 2.064 -11.583 5.812 1.00 0.00 C ATOM 509 C LEU A 112 2.757 -12.943 5.796 1.00 0.00 C ATOM 510 O LEU A 112 2.179 -13.945 5.377 1.00 0.00 O ATOM 511 CB LEU A 112 2.226 -10.899 4.443 1.00 0.00 C ATOM 512 CG LEU A 112 1.268 -11.447 3.376 1.00 0.00 C ATOM 513 CD1 LEU A 112 -0.199 -11.266 3.804 1.00 0.00 C ATOM 514 CD2 LEU A 112 1.523 -10.678 2.072 1.00 0.00 C ATOM 0 H LEU A 112 2.919 -9.782 6.418 1.00 0.00 H new ATOM 0 HA LEU A 112 1.016 -11.758 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.058 -9.828 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.253 -11.026 4.100 1.00 0.00 H new ATOM 0 HG LEU A 112 1.446 -12.514 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.856 -11.663 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.374 -11.801 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.408 -10.206 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.854 -11.048 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.339 -9.616 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.557 -10.823 1.760 1.00 0.00 H new ATOM 526 N GLY A 113 4.019 -12.954 6.208 1.00 0.00 N ATOM 527 CA GLY A 113 4.809 -14.179 6.188 1.00 0.00 C ATOM 528 C GLY A 113 5.519 -14.255 4.848 1.00 0.00 C ATOM 529 O GLY A 113 6.008 -15.303 4.429 1.00 0.00 O ATOM 0 H GLY A 113 4.515 -12.134 6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.532 -14.180 7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.168 -15.049 6.330 1.00 0.00 H new ATOM 533 N GLU A 114 5.585 -13.089 4.210 1.00 0.00 N ATOM 534 CA GLU A 114 6.253 -12.921 2.928 1.00 0.00 C ATOM 535 C GLU A 114 7.472 -12.040 3.151 1.00 0.00 C ATOM 536 O GLU A 114 7.418 -11.110 3.957 1.00 0.00 O ATOM 537 CB GLU A 114 5.313 -12.247 1.936 1.00 0.00 C ATOM 538 CG GLU A 114 4.098 -13.143 1.705 1.00 0.00 C ATOM 539 CD GLU A 114 4.515 -14.447 1.032 1.00 0.00 C ATOM 540 OE1 GLU A 114 5.590 -14.479 0.459 1.00 0.00 O ATOM 541 OE2 GLU A 114 3.748 -15.394 1.099 1.00 0.00 O ATOM 0 H GLU A 114 5.173 -12.230 4.573 1.00 0.00 H new ATOM 0 HA GLU A 114 6.546 -13.890 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.996 -11.277 2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.830 -12.065 0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.611 -13.358 2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.369 -12.623 1.084 1.00 0.00 H new ATOM 548 N LYS A 115 8.575 -12.332 2.463 1.00 0.00 N ATOM 549 CA LYS A 115 9.803 -11.545 2.634 1.00 0.00 C ATOM 550 C LYS A 115 10.282 -10.967 1.309 1.00 0.00 C ATOM 551 O LYS A 115 10.913 -11.651 0.503 1.00 0.00 O ATOM 552 CB LYS A 115 10.898 -12.423 3.254 1.00 0.00 C ATOM 553 CG LYS A 115 10.888 -13.815 2.608 1.00 0.00 C ATOM 554 CD LYS A 115 11.989 -14.692 3.235 1.00 0.00 C ATOM 555 CE LYS A 115 13.320 -14.461 2.513 1.00 0.00 C ATOM 556 NZ LYS A 115 13.169 -14.822 1.075 1.00 0.00 N ATOM 0 H LYS A 115 8.648 -13.096 1.791 1.00 0.00 H new ATOM 0 HA LYS A 115 9.583 -10.711 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.873 -11.956 3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.739 -12.511 4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 115 9.914 -14.284 2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.048 -13.728 1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.095 -14.455 4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.709 -15.743 3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.622 -13.418 2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.105 -15.063 2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.072 -15.191 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.433 -15.550 0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.897 -13.978 0.532 1.00 0.00 H new ATOM 570 N LEU A 116 9.979 -9.690 1.095 1.00 0.00 N ATOM 571 CA LEU A 116 10.381 -9.000 -0.127 1.00 0.00 C ATOM 572 C LEU A 116 11.612 -8.141 0.138 1.00 0.00 C ATOM 573 O LEU A 116 11.831 -7.681 1.259 1.00 0.00 O ATOM 574 CB LEU A 116 9.256 -8.089 -0.618 1.00 0.00 C ATOM 575 CG LEU A 116 8.124 -8.918 -1.223 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.435 -9.750 -0.133 1.00 0.00 C ATOM 577 CD2 LEU A 116 7.111 -7.964 -1.864 1.00 0.00 C ATOM 0 H LEU A 116 9.456 -9.111 1.752 1.00 0.00 H new ATOM 0 HA LEU A 116 10.604 -9.753 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.875 -7.492 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.642 -7.392 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 116 8.527 -9.598 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.630 -10.336 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.161 -10.420 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.023 -9.085 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.295 -8.540 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.714 -7.291 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.602 -7.382 -2.643 1.00 0.00 H new ATOM 589 N THR A 117 12.395 -7.916 -0.907 1.00 0.00 N ATOM 590 CA THR A 117 13.586 -7.087 -0.794 1.00 0.00 C ATOM 591 C THR A 117 13.208 -5.626 -0.901 1.00 0.00 C ATOM 592 O THR A 117 12.065 -5.292 -1.212 1.00 0.00 O ATOM 593 CB THR A 117 14.577 -7.429 -1.903 1.00 0.00 C ATOM 594 OG1 THR A 117 14.018 -7.072 -3.158 1.00 0.00 O ATOM 595 CG2 THR A 117 14.864 -8.921 -1.879 1.00 0.00 C ATOM 0 H THR A 117 12.228 -8.294 -1.839 1.00 0.00 H new ATOM 0 HA THR A 117 14.049 -7.277 0.174 1.00 0.00 H new ATOM 0 HB THR A 117 15.505 -6.879 -1.749 1.00 0.00 H new ATOM 0 HG1 THR A 117 14.653 -7.289 -3.872 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.572 -9.168 -2.670 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.289 -9.194 -0.913 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.937 -9.472 -2.036 1.00 0.00 H new ATOM 603 N ASP A 118 14.169 -4.760 -0.655 1.00 0.00 N ATOM 604 CA ASP A 118 13.932 -3.339 -0.741 1.00 0.00 C ATOM 605 C ASP A 118 13.568 -2.963 -2.170 1.00 0.00 C ATOM 606 O ASP A 118 12.719 -2.102 -2.404 1.00 0.00 O ATOM 607 CB ASP A 118 15.199 -2.614 -0.300 1.00 0.00 C ATOM 608 CG ASP A 118 16.281 -2.721 -1.372 1.00 0.00 C ATOM 609 OD1 ASP A 118 16.736 -3.826 -1.620 1.00 0.00 O ATOM 610 OD2 ASP A 118 16.639 -1.696 -1.929 1.00 0.00 O ATOM 0 H ASP A 118 15.121 -5.018 -0.394 1.00 0.00 H new ATOM 0 HA ASP A 118 13.103 -3.052 -0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 118 14.975 -1.565 -0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.562 -3.041 0.635 1.00 0.00 H new ATOM 615 N GLU A 119 14.234 -3.608 -3.121 1.00 0.00 N ATOM 616 CA GLU A 119 14.002 -3.344 -4.530 1.00 0.00 C ATOM 617 C GLU A 119 12.623 -3.816 -4.983 1.00 0.00 C ATOM 618 O GLU A 119 11.940 -3.109 -5.723 1.00 0.00 O ATOM 619 CB GLU A 119 15.076 -4.048 -5.349 1.00 0.00 C ATOM 620 CG GLU A 119 16.425 -3.377 -5.087 1.00 0.00 C ATOM 621 CD GLU A 119 17.522 -4.088 -5.870 1.00 0.00 C ATOM 622 OE1 GLU A 119 17.193 -4.969 -6.647 1.00 0.00 O ATOM 623 OE2 GLU A 119 18.675 -3.735 -5.686 1.00 0.00 O ATOM 0 H GLU A 119 14.941 -4.320 -2.937 1.00 0.00 H new ATOM 0 HA GLU A 119 14.046 -2.266 -4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.122 -5.103 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.832 -4.000 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.381 -2.328 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.652 -3.403 -4.021 1.00 0.00 H new ATOM 630 N GLU A 120 12.193 -4.987 -4.525 1.00 0.00 N ATOM 631 CA GLU A 120 10.875 -5.475 -4.906 1.00 0.00 C ATOM 632 C GLU A 120 9.834 -4.526 -4.342 1.00 0.00 C ATOM 633 O GLU A 120 8.882 -4.138 -5.021 1.00 0.00 O ATOM 634 CB GLU A 120 10.630 -6.880 -4.358 1.00 0.00 C ATOM 635 CG GLU A 120 11.529 -7.884 -5.081 1.00 0.00 C ATOM 636 CD GLU A 120 11.340 -9.270 -4.475 1.00 0.00 C ATOM 637 OE1 GLU A 120 10.543 -9.390 -3.559 1.00 0.00 O ATOM 638 OE2 GLU A 120 11.994 -10.191 -4.935 1.00 0.00 O ATOM 0 H GLU A 120 12.722 -5.601 -3.906 1.00 0.00 H new ATOM 0 HA GLU A 120 10.811 -5.520 -5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.832 -6.903 -3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.583 -7.154 -4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.287 -7.905 -6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 120 12.572 -7.579 -4.998 1.00 0.00 H new ATOM 645 N VAL A 121 10.048 -4.152 -3.090 1.00 0.00 N ATOM 646 CA VAL A 121 9.160 -3.234 -2.396 1.00 0.00 C ATOM 647 C VAL A 121 9.138 -1.884 -3.107 1.00 0.00 C ATOM 648 O VAL A 121 8.073 -1.321 -3.363 1.00 0.00 O ATOM 649 CB VAL A 121 9.668 -3.072 -0.958 1.00 0.00 C ATOM 650 CG1 VAL A 121 8.974 -1.894 -0.271 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.386 -4.357 -0.177 1.00 0.00 C ATOM 0 H VAL A 121 10.837 -4.474 -2.530 1.00 0.00 H new ATOM 0 HA VAL A 121 8.143 -3.627 -2.390 1.00 0.00 H new ATOM 0 HB VAL A 121 10.740 -2.878 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.348 -1.795 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.181 -0.977 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.898 -2.069 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.745 -4.247 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.313 -4.548 -0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.899 -5.192 -0.654 1.00 0.00 H new ATOM 661 N ASP A 122 10.324 -1.369 -3.428 1.00 0.00 N ATOM 662 CA ASP A 122 10.435 -0.087 -4.112 1.00 0.00 C ATOM 663 C ASP A 122 9.796 -0.143 -5.502 1.00 0.00 C ATOM 664 O ASP A 122 9.015 0.733 -5.870 1.00 0.00 O ATOM 665 CB ASP A 122 11.907 0.303 -4.241 1.00 0.00 C ATOM 666 CG ASP A 122 12.024 1.713 -4.805 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.518 2.627 -4.175 1.00 0.00 O ATOM 668 OD2 ASP A 122 12.618 1.861 -5.861 1.00 0.00 O ATOM 0 H ASP A 122 11.216 -1.819 -3.225 1.00 0.00 H new ATOM 0 HA ASP A 122 9.905 0.660 -3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.392 0.251 -3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.423 -0.402 -4.892 1.00 0.00 H new ATOM 673 N GLU A 123 10.145 -1.170 -6.281 1.00 0.00 N ATOM 674 CA GLU A 123 9.604 -1.318 -7.629 1.00 0.00 C ATOM 675 C GLU A 123 8.081 -1.329 -7.609 1.00 0.00 C ATOM 676 O GLU A 123 7.436 -0.677 -8.429 1.00 0.00 O ATOM 677 CB GLU A 123 10.124 -2.615 -8.257 1.00 0.00 C ATOM 678 CG GLU A 123 11.596 -2.451 -8.639 1.00 0.00 C ATOM 679 CD GLU A 123 12.180 -3.795 -9.065 1.00 0.00 C ATOM 680 OE1 GLU A 123 11.414 -4.735 -9.199 1.00 0.00 O ATOM 681 OE2 GLU A 123 13.385 -3.867 -9.241 1.00 0.00 O ATOM 0 H GLU A 123 10.795 -1.905 -6.002 1.00 0.00 H new ATOM 0 HA GLU A 123 9.932 -0.466 -8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 123 10.011 -3.441 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.535 -2.864 -9.140 1.00 0.00 H new ATOM 0 HG2 GLU A 123 11.691 -1.731 -9.451 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.157 -2.053 -7.793 1.00 0.00 H new ATOM 688 N MET A 124 7.510 -2.055 -6.658 1.00 0.00 N ATOM 689 CA MET A 124 6.063 -2.121 -6.525 1.00 0.00 C ATOM 690 C MET A 124 5.507 -0.753 -6.156 1.00 0.00 C ATOM 691 O MET A 124 4.489 -0.305 -6.686 1.00 0.00 O ATOM 692 CB MET A 124 5.716 -3.138 -5.435 1.00 0.00 C ATOM 693 CG MET A 124 4.228 -3.066 -5.096 1.00 0.00 C ATOM 694 SD MET A 124 3.776 -4.505 -4.092 1.00 0.00 S ATOM 695 CE MET A 124 2.054 -4.046 -3.781 1.00 0.00 C ATOM 0 H MET A 124 8.025 -2.604 -5.970 1.00 0.00 H new ATOM 0 HA MET A 124 5.621 -2.428 -7.473 1.00 0.00 H new ATOM 0 HB2 MET A 124 5.971 -4.143 -5.771 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.309 -2.941 -4.542 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.010 -2.146 -4.553 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.635 -3.045 -6.010 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.579 -4.811 -3.168 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.021 -3.090 -3.259 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.523 -3.960 -4.729 1.00 0.00 H new ATOM 705 N ILE A 125 6.199 -0.105 -5.237 1.00 0.00 N ATOM 706 CA ILE A 125 5.814 1.219 -4.760 1.00 0.00 C ATOM 707 C ILE A 125 6.001 2.276 -5.855 1.00 0.00 C ATOM 708 O ILE A 125 5.126 3.114 -6.069 1.00 0.00 O ATOM 709 CB ILE A 125 6.650 1.537 -3.503 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.044 0.809 -2.283 1.00 0.00 C ATOM 711 CG2 ILE A 125 6.717 3.045 -3.232 1.00 0.00 C ATOM 712 CD1 ILE A 125 4.824 1.568 -1.719 1.00 0.00 C ATOM 0 H ILE A 125 7.042 -0.477 -4.799 1.00 0.00 H new ATOM 0 HA ILE A 125 4.755 1.233 -4.502 1.00 0.00 H new ATOM 0 HB ILE A 125 7.668 1.187 -3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.745 -0.199 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.801 0.707 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.314 3.228 -2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.175 3.548 -4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.710 3.433 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.423 1.027 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.129 2.567 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.057 1.647 -2.489 1.00 0.00 H new ATOM 724 N ARG A 126 7.136 2.230 -6.545 1.00 0.00 N ATOM 725 CA ARG A 126 7.402 3.191 -7.615 1.00 0.00 C ATOM 726 C ARG A 126 6.454 2.947 -8.787 1.00 0.00 C ATOM 727 O ARG A 126 5.997 3.883 -9.444 1.00 0.00 O ATOM 728 CB ARG A 126 8.851 3.072 -8.105 1.00 0.00 C ATOM 729 CG ARG A 126 9.224 4.306 -8.953 1.00 0.00 C ATOM 730 CD ARG A 126 9.762 5.423 -8.051 1.00 0.00 C ATOM 731 NE ARG A 126 10.039 6.619 -8.837 1.00 0.00 N ATOM 732 CZ ARG A 126 10.664 7.660 -8.296 1.00 0.00 C ATOM 733 NH1 ARG A 126 11.823 7.496 -7.721 1.00 0.00 N ATOM 734 NH2 ARG A 126 10.117 8.844 -8.338 1.00 0.00 N ATOM 0 H ARG A 126 7.878 1.549 -6.388 1.00 0.00 H new ATOM 0 HA ARG A 126 7.243 4.193 -7.217 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.526 2.988 -7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 126 8.970 2.164 -8.697 1.00 0.00 H new ATOM 0 HG2 ARG A 126 9.975 4.034 -9.695 1.00 0.00 H new ATOM 0 HG3 ARG A 126 8.350 4.659 -9.500 1.00 0.00 H new ATOM 0 HD2 ARG A 126 9.035 5.652 -7.272 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.671 5.090 -7.551 1.00 0.00 H new ATOM 0 HE ARG A 126 9.750 6.658 -9.814 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.249 6.570 -7.687 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.304 8.294 -7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 126 9.210 8.971 -8.786 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.597 9.643 -7.923 1.00 0.00 H new ATOM 748 N GLU A 127 6.164 1.674 -9.026 1.00 0.00 N ATOM 749 CA GLU A 127 5.268 1.279 -10.109 1.00 0.00 C ATOM 750 C GLU A 127 3.831 1.682 -9.786 1.00 0.00 C ATOM 751 O GLU A 127 3.081 2.112 -10.662 1.00 0.00 O ATOM 752 CB GLU A 127 5.358 -0.234 -10.315 1.00 0.00 C ATOM 753 CG GLU A 127 4.470 -0.666 -11.482 1.00 0.00 C ATOM 754 CD GLU A 127 4.583 -2.172 -11.682 1.00 0.00 C ATOM 755 OE1 GLU A 127 5.116 -2.827 -10.803 1.00 0.00 O ATOM 756 OE2 GLU A 127 4.131 -2.649 -12.710 1.00 0.00 O ATOM 0 H GLU A 127 6.537 0.895 -8.484 1.00 0.00 H new ATOM 0 HA GLU A 127 5.568 1.788 -11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.391 -0.520 -10.511 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.051 -0.750 -9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.434 -0.392 -11.284 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.769 -0.145 -12.392 1.00 0.00 H new ATOM 763 N ALA A 128 3.464 1.543 -8.518 1.00 0.00 N ATOM 764 CA ALA A 128 2.118 1.902 -8.080 1.00 0.00 C ATOM 765 C ALA A 128 1.994 3.421 -7.876 1.00 0.00 C ATOM 766 O ALA A 128 0.886 3.951 -7.815 1.00 0.00 O ATOM 767 CB ALA A 128 1.767 1.191 -6.770 1.00 0.00 C ATOM 0 H ALA A 128 4.072 1.188 -7.780 1.00 0.00 H new ATOM 0 HA ALA A 128 1.425 1.587 -8.860 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.760 1.473 -6.462 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.813 0.112 -6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.478 1.482 -5.997 1.00 0.00 H new ATOM 773 N ASP A 129 3.135 4.110 -7.746 1.00 0.00 N ATOM 774 CA ASP A 129 3.144 5.574 -7.523 1.00 0.00 C ATOM 775 C ASP A 129 3.274 6.306 -8.841 1.00 0.00 C ATOM 776 O ASP A 129 4.231 6.072 -9.572 1.00 0.00 O ATOM 777 CB ASP A 129 4.334 5.960 -6.638 1.00 0.00 C ATOM 778 CG ASP A 129 3.964 5.798 -5.184 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.176 6.601 -4.710 1.00 0.00 O ATOM 780 OD2 ASP A 129 4.455 4.873 -4.568 1.00 0.00 O ATOM 0 H ASP A 129 4.062 3.687 -7.790 1.00 0.00 H new ATOM 0 HA ASP A 129 2.208 5.850 -7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.194 5.334 -6.876 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.626 6.991 -6.836 1.00 0.00 H new ATOM 785 N VAL A 130 2.329 7.173 -9.185 1.00 0.00 N ATOM 786 CA VAL A 130 2.417 7.865 -10.476 1.00 0.00 C ATOM 787 C VAL A 130 2.835 9.304 -10.306 1.00 0.00 C ATOM 788 O VAL A 130 3.322 9.942 -11.233 1.00 0.00 O ATOM 789 CB VAL A 130 1.117 7.577 -11.235 1.00 0.00 C ATOM 790 CG1 VAL A 130 0.766 8.686 -12.231 1.00 0.00 C ATOM 791 CG2 VAL A 130 1.280 6.194 -11.955 1.00 0.00 C ATOM 0 H VAL A 130 1.518 7.412 -8.615 1.00 0.00 H new ATOM 0 HA VAL A 130 3.221 7.490 -11.109 1.00 0.00 H new ATOM 0 HB VAL A 130 0.287 7.543 -10.529 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.163 8.435 -12.743 1.00 0.00 H new ATOM 0 HG12 VAL A 130 0.643 9.629 -11.698 1.00 0.00 H new ATOM 0 HG13 VAL A 130 1.568 8.785 -12.962 1.00 0.00 H new ATOM 0 HG21 VAL A 130 0.368 5.961 -12.505 1.00 0.00 H new ATOM 0 HG22 VAL A 130 2.120 6.241 -12.648 1.00 0.00 H new ATOM 0 HG23 VAL A 130 1.465 5.417 -11.213 1.00 0.00 H new ATOM 801 N ASP A 131 2.786 9.758 -9.090 1.00 0.00 N ATOM 802 CA ASP A 131 3.335 11.046 -8.777 1.00 0.00 C ATOM 803 C ASP A 131 4.704 10.716 -8.183 1.00 0.00 C ATOM 804 O ASP A 131 5.390 11.574 -7.631 1.00 0.00 O ATOM 805 CB ASP A 131 2.454 11.761 -7.796 1.00 0.00 C ATOM 806 CG ASP A 131 1.029 11.717 -8.321 1.00 0.00 C ATOM 807 OD1 ASP A 131 0.771 12.338 -9.343 1.00 0.00 O ATOM 808 OD2 ASP A 131 0.226 11.029 -7.716 1.00 0.00 O ATOM 0 H ASP A 131 2.374 9.260 -8.301 1.00 0.00 H new ATOM 0 HA ASP A 131 3.413 11.711 -9.637 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.513 11.288 -6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.782 12.793 -7.672 1.00 0.00 H new ATOM 813 N GLY A 132 5.090 9.422 -8.321 1.00 0.00 N ATOM 814 CA GLY A 132 6.374 8.946 -7.805 1.00 0.00 C ATOM 815 C GLY A 132 6.560 9.368 -6.347 1.00 0.00 C ATOM 816 O GLY A 132 7.632 9.193 -5.766 1.00 0.00 O ATOM 0 H GLY A 132 4.529 8.706 -8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.423 7.860 -7.884 1.00 0.00 H new ATOM 0 HA3 GLY A 132 7.186 9.347 -8.411 1.00 0.00 H new ATOM 820 N ASP A 133 5.511 9.950 -5.775 1.00 0.00 N ATOM 821 CA ASP A 133 5.563 10.428 -4.399 1.00 0.00 C ATOM 822 C ASP A 133 6.104 9.345 -3.478 1.00 0.00 C ATOM 823 O ASP A 133 6.610 9.636 -2.394 1.00 0.00 O ATOM 824 CB ASP A 133 4.170 10.838 -3.923 1.00 0.00 C ATOM 825 CG ASP A 133 3.658 12.026 -4.726 1.00 0.00 C ATOM 826 OD1 ASP A 133 4.477 12.754 -5.264 1.00 0.00 O ATOM 827 OD2 ASP A 133 2.450 12.182 -4.799 1.00 0.00 O ATOM 0 H ASP A 133 4.617 10.102 -6.242 1.00 0.00 H new ATOM 0 HA ASP A 133 6.226 11.293 -4.369 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.483 9.999 -4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 133 4.202 11.095 -2.864 1.00 0.00 H new ATOM 832 N GLY A 134 5.995 8.093 -3.913 1.00 0.00 N ATOM 833 CA GLY A 134 6.476 6.970 -3.115 1.00 0.00 C ATOM 834 C GLY A 134 5.427 6.534 -2.099 1.00 0.00 C ATOM 835 O GLY A 134 5.656 5.625 -1.301 1.00 0.00 O ATOM 0 H GLY A 134 5.581 7.832 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 134 6.724 6.134 -3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.393 7.253 -2.598 1.00 0.00 H new ATOM 839 N GLN A 135 4.266 7.179 -2.151 1.00 0.00 N ATOM 840 CA GLN A 135 3.153 6.859 -1.258 1.00 0.00 C ATOM 841 C GLN A 135 1.932 6.513 -2.084 1.00 0.00 C ATOM 842 O GLN A 135 1.616 7.193 -3.066 1.00 0.00 O ATOM 843 CB GLN A 135 2.839 8.060 -0.351 1.00 0.00 C ATOM 844 CG GLN A 135 3.720 8.019 0.891 1.00 0.00 C ATOM 845 CD GLN A 135 3.651 9.349 1.627 1.00 0.00 C ATOM 846 OE1 GLN A 135 2.805 9.532 2.502 1.00 0.00 O ATOM 847 NE2 GLN A 135 4.496 10.293 1.323 1.00 0.00 N ATOM 0 H GLN A 135 4.069 7.934 -2.808 1.00 0.00 H new ATOM 0 HA GLN A 135 3.428 6.009 -0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.005 8.990 -0.895 1.00 0.00 H new ATOM 0 HB3 GLN A 135 1.788 8.043 -0.062 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.396 7.213 1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.751 7.804 0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 135 5.195 10.137 0.597 1.00 0.00 H new ATOM 0 HE22 GLN A 135 4.458 11.188 1.811 1.00 0.00 H new ATOM 856 N ILE A 136 1.237 5.455 -1.682 1.00 0.00 N ATOM 857 CA ILE A 136 0.046 5.032 -2.394 1.00 0.00 C ATOM 858 C ILE A 136 -1.164 5.549 -1.645 1.00 0.00 C ATOM 859 O ILE A 136 -1.491 5.064 -0.562 1.00 0.00 O ATOM 860 CB ILE A 136 -0.001 3.497 -2.489 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.405 2.947 -2.757 1.00 0.00 C ATOM 862 CG2 ILE A 136 -0.939 3.071 -3.621 1.00 0.00 C ATOM 863 CD1 ILE A 136 1.997 3.596 -4.009 1.00 0.00 C ATOM 0 H ILE A 136 1.478 4.881 -0.874 1.00 0.00 H new ATOM 0 HA ILE A 136 0.056 5.432 -3.408 1.00 0.00 H new ATOM 0 HB ILE A 136 -0.372 3.098 -1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 136 2.049 3.141 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 136 1.362 1.865 -2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -0.966 1.983 -3.681 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.942 3.449 -3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -0.577 3.478 -4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 136 2.995 3.197 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 136 1.360 3.379 -4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.058 4.675 -3.865 1.00 0.00 H new ATOM 875 N ASN A 137 -1.841 6.520 -2.236 1.00 0.00 N ATOM 876 CA ASN A 137 -3.025 7.069 -1.618 1.00 0.00 C ATOM 877 C ASN A 137 -4.155 6.081 -1.862 1.00 0.00 C ATOM 878 O ASN A 137 -4.046 5.233 -2.747 1.00 0.00 O ATOM 879 CB ASN A 137 -3.348 8.446 -2.220 1.00 0.00 C ATOM 880 CG ASN A 137 -2.061 9.176 -2.604 1.00 0.00 C ATOM 881 OD1 ASN A 137 -0.966 8.751 -2.239 1.00 0.00 O ATOM 882 ND2 ASN A 137 -2.129 10.263 -3.326 1.00 0.00 N ATOM 0 H ASN A 137 -1.591 6.937 -3.133 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.879 7.215 -0.548 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.981 8.326 -3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.910 9.041 -1.501 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -1.275 10.757 -3.586 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.036 10.617 -3.630 1.00 0.00 H new ATOM 889 N TYR A 138 -5.217 6.147 -1.083 1.00 0.00 N ATOM 890 CA TYR A 138 -6.300 5.193 -1.270 1.00 0.00 C ATOM 891 C TYR A 138 -6.700 5.109 -2.745 1.00 0.00 C ATOM 892 O TYR A 138 -6.871 4.017 -3.281 1.00 0.00 O ATOM 893 CB TYR A 138 -7.515 5.589 -0.428 1.00 0.00 C ATOM 894 CG TYR A 138 -8.645 4.654 -0.771 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.543 3.304 -0.436 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.773 5.126 -1.449 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.567 2.421 -0.775 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.803 4.243 -1.785 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.699 2.888 -1.452 1.00 0.00 C ATOM 900 OH TYR A 138 -11.714 2.015 -1.788 1.00 0.00 O ATOM 0 H TYR A 138 -5.355 6.827 -0.336 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.946 4.215 -0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.279 5.527 0.634 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.800 6.621 -0.632 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.670 2.942 0.087 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.848 6.171 -1.713 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.487 1.376 -0.515 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.679 4.607 -2.302 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.196 2.359 -2.569 1.00 0.00 H new ATOM 910 N GLU A 139 -6.847 6.255 -3.392 1.00 0.00 N ATOM 911 CA GLU A 139 -7.230 6.272 -4.801 1.00 0.00 C ATOM 912 C GLU A 139 -6.175 5.594 -5.672 1.00 0.00 C ATOM 913 O GLU A 139 -6.506 4.852 -6.597 1.00 0.00 O ATOM 914 CB GLU A 139 -7.432 7.716 -5.268 1.00 0.00 C ATOM 915 CG GLU A 139 -6.236 8.570 -4.834 1.00 0.00 C ATOM 916 CD GLU A 139 -6.409 10.000 -5.330 1.00 0.00 C ATOM 917 OE1 GLU A 139 -7.333 10.236 -6.090 1.00 0.00 O ATOM 918 OE2 GLU A 139 -5.615 10.840 -4.939 1.00 0.00 O ATOM 0 H GLU A 139 -6.710 7.175 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.163 5.718 -4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.539 7.746 -6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.352 8.120 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.148 8.561 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.313 8.147 -5.232 1.00 0.00 H new ATOM 925 N GLU A 140 -4.907 5.858 -5.385 1.00 0.00 N ATOM 926 CA GLU A 140 -3.822 5.276 -6.165 1.00 0.00 C ATOM 927 C GLU A 140 -3.794 3.766 -5.950 1.00 0.00 C ATOM 928 O GLU A 140 -3.614 2.995 -6.892 1.00 0.00 O ATOM 929 CB GLU A 140 -2.497 5.906 -5.732 1.00 0.00 C ATOM 930 CG GLU A 140 -1.394 5.602 -6.756 1.00 0.00 C ATOM 931 CD GLU A 140 -0.199 6.517 -6.505 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.218 6.617 -5.366 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.280 7.111 -7.456 1.00 0.00 O ATOM 0 H GLU A 140 -4.606 6.467 -4.624 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.977 5.474 -7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.617 6.984 -5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.208 5.522 -4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.089 4.558 -6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.772 5.749 -7.768 1.00 0.00 H new ATOM 940 N PHE A 141 -4.006 3.361 -4.702 1.00 0.00 N ATOM 941 CA PHE A 141 -4.042 1.945 -4.355 1.00 0.00 C ATOM 942 C PHE A 141 -5.187 1.283 -5.109 1.00 0.00 C ATOM 943 O PHE A 141 -5.084 0.153 -5.589 1.00 0.00 O ATOM 944 CB PHE A 141 -4.245 1.767 -2.849 1.00 0.00 C ATOM 945 CG PHE A 141 -4.213 0.293 -2.508 1.00 0.00 C ATOM 946 CD1 PHE A 141 -3.039 -0.447 -2.704 1.00 0.00 C ATOM 947 CD2 PHE A 141 -5.355 -0.340 -1.997 1.00 0.00 C ATOM 948 CE1 PHE A 141 -3.008 -1.807 -2.394 1.00 0.00 C ATOM 949 CE2 PHE A 141 -5.319 -1.700 -1.689 1.00 0.00 C ATOM 950 CZ PHE A 141 -4.145 -2.431 -1.888 1.00 0.00 C ATOM 0 H PHE A 141 -4.155 3.993 -3.915 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.095 1.483 -4.632 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.465 2.295 -2.301 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.198 2.201 -2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.156 0.037 -3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.262 0.225 -1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.102 -2.375 -2.546 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.199 -2.188 -1.297 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.119 -3.484 -1.648 1.00 0.00 H new ATOM 960 N VAL A 142 -6.283 2.017 -5.210 1.00 0.00 N ATOM 961 CA VAL A 142 -7.463 1.546 -5.912 1.00 0.00 C ATOM 962 C VAL A 142 -7.151 1.424 -7.407 1.00 0.00 C ATOM 963 O VAL A 142 -7.570 0.470 -8.062 1.00 0.00 O ATOM 964 CB VAL A 142 -8.624 2.523 -5.671 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.817 2.140 -6.555 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.041 2.491 -4.176 1.00 0.00 C ATOM 0 H VAL A 142 -6.379 2.950 -4.810 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.754 0.564 -5.538 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.300 3.532 -5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.638 2.836 -6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.522 2.183 -7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.141 1.128 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.865 3.186 -4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.358 1.483 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.193 2.781 -3.555 1.00 0.00 H new ATOM 976 N LYS A 143 -6.415 2.404 -7.932 1.00 0.00 N ATOM 977 CA LYS A 143 -6.042 2.422 -9.349 1.00 0.00 C ATOM 978 C LYS A 143 -5.213 1.189 -9.730 1.00 0.00 C ATOM 979 O LYS A 143 -5.508 0.518 -10.722 1.00 0.00 O ATOM 980 CB LYS A 143 -5.222 3.690 -9.633 1.00 0.00 C ATOM 981 CG LYS A 143 -5.144 3.945 -11.144 1.00 0.00 C ATOM 982 CD LYS A 143 -4.421 5.274 -11.402 1.00 0.00 C ATOM 983 CE LYS A 143 -4.330 5.537 -12.909 1.00 0.00 C ATOM 984 NZ LYS A 143 -5.629 6.080 -13.403 1.00 0.00 N ATOM 0 H LYS A 143 -6.064 3.198 -7.397 1.00 0.00 H new ATOM 0 HA LYS A 143 -6.955 2.412 -9.944 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -5.679 4.546 -9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -4.218 3.582 -9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -4.613 3.129 -11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -6.147 3.975 -11.571 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -4.955 6.089 -10.914 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -3.421 5.244 -10.969 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -3.527 6.244 -13.117 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -4.087 4.614 -13.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -5.565 6.258 -14.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -6.386 5.391 -13.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -5.843 6.970 -12.910 1.00 0.00 H new ATOM 998 N VAL A 144 -4.180 0.897 -8.942 1.00 0.00 N ATOM 999 CA VAL A 144 -3.320 -0.259 -9.207 1.00 0.00 C ATOM 1000 C VAL A 144 -4.035 -1.574 -8.903 1.00 0.00 C ATOM 1001 O VAL A 144 -3.934 -2.538 -9.663 1.00 0.00 O ATOM 1002 CB VAL A 144 -2.049 -0.155 -8.359 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -2.430 -0.075 -6.884 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -1.167 -1.384 -8.587 1.00 0.00 C ATOM 0 H VAL A 144 -3.918 1.440 -8.119 1.00 0.00 H new ATOM 0 HA VAL A 144 -3.064 -0.255 -10.267 1.00 0.00 H new ATOM 0 HB VAL A 144 -1.499 0.740 -8.648 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -1.527 -0.001 -6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -3.053 0.804 -6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -2.983 -0.971 -6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.265 -1.302 -7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -1.715 -2.283 -8.303 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -0.892 -1.444 -9.640 1.00 0.00 H new ATOM 1014 N MET A 145 -4.744 -1.613 -7.778 1.00 0.00 N ATOM 1015 CA MET A 145 -5.460 -2.822 -7.377 1.00 0.00 C ATOM 1016 C MET A 145 -6.533 -3.180 -8.391 1.00 0.00 C ATOM 1017 O MET A 145 -6.659 -4.333 -8.804 1.00 0.00 O ATOM 1018 CB MET A 145 -6.098 -2.612 -5.998 1.00 0.00 C ATOM 1019 CG MET A 145 -6.859 -3.874 -5.558 1.00 0.00 C ATOM 1020 SD MET A 145 -5.720 -5.282 -5.450 1.00 0.00 S ATOM 1021 CE MET A 145 -4.832 -4.770 -3.960 1.00 0.00 C ATOM 0 H MET A 145 -4.838 -0.829 -7.132 1.00 0.00 H new ATOM 0 HA MET A 145 -4.746 -3.644 -7.329 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.326 -2.372 -5.267 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.780 -1.762 -6.032 1.00 0.00 H new ATOM 0 HG2 MET A 145 -7.332 -3.704 -4.591 1.00 0.00 H new ATOM 0 HG3 MET A 145 -7.656 -4.094 -6.269 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.355 -5.638 -3.505 1.00 0.00 H new ATOM 0 HE2 MET A 145 -4.072 -4.035 -4.224 1.00 0.00 H new ATOM 0 HE3 MET A 145 -5.533 -4.329 -3.252 1.00 0.00 H new ATOM 1031 N MET A 146 -7.306 -2.185 -8.781 1.00 0.00 N ATOM 1032 CA MET A 146 -8.376 -2.401 -9.749 1.00 0.00 C ATOM 1033 C MET A 146 -7.799 -2.829 -11.094 1.00 0.00 C ATOM 1034 O MET A 146 -8.336 -3.718 -11.754 1.00 0.00 O ATOM 1035 CB MET A 146 -9.194 -1.118 -9.923 1.00 0.00 C ATOM 1036 CG MET A 146 -10.077 -0.890 -8.691 1.00 0.00 C ATOM 1037 SD MET A 146 -11.360 -2.167 -8.605 1.00 0.00 S ATOM 1038 CE MET A 146 -12.659 -1.248 -9.469 1.00 0.00 C ATOM 0 H MET A 146 -7.219 -1.225 -8.449 1.00 0.00 H new ATOM 0 HA MET A 146 -9.025 -3.193 -9.376 1.00 0.00 H new ATOM 0 HB2 MET A 146 -8.527 -0.268 -10.065 1.00 0.00 H new ATOM 0 HB3 MET A 146 -9.814 -1.190 -10.817 1.00 0.00 H new ATOM 0 HG2 MET A 146 -9.468 -0.913 -7.787 1.00 0.00 H new ATOM 0 HG3 MET A 146 -10.537 0.097 -8.740 1.00 0.00 H new ATOM 0 HE1 MET A 146 -13.559 -1.860 -9.530 1.00 0.00 H new ATOM 0 HE2 MET A 146 -12.881 -0.331 -8.923 1.00 0.00 H new ATOM 0 HE3 MET A 146 -12.321 -0.998 -10.475 1.00 0.00 H new