USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 834 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 63 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 90 CYS SG : rot 180:sc= -0.397 USER MOD Set 2.1: A 75 ASN : amide:sc= -0.921 K(o=-1,f=-8.2!) USER MOD Set 2.2: A 78 SER OG : rot 180:sc= -0.075 USER MOD Set 3.1: A 43 TYR OH : rot 11:sc= 1.18 USER MOD Set 3.2: A 46 THR OG1 : rot 180:sc= 1.07 USER MOD Set 4.1: A 40 ASN : amide:sc= 1.22 K(o=0.99,f=-7.8!) USER MOD Set 4.2: A 120 MET CE :methyl 177:sc= -0.23 (180deg=-0.189) USER MOD Set 5.1: A 32 THR OG1 : rot 171:sc= 0.629 USER MOD Set 5.2: A 50 THR OG1 : rot -46:sc= 0.663 USER MOD Single : A 33 TYR OH : rot 170:sc= 0.687 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0516 X(o=-0.052,f=0) USER MOD Single : A 44 MET CE :methyl -150:sc= -0.381 (180deg=-1.99!) USER MOD Single : A 52 ASN : amide:sc=-0.00817 X(o=-0.0082,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 56 SER OG : rot 11:sc= 1.16 USER MOD Single : A 58 GLN : amide:sc= -0.412 X(o=-0.41,f=0) USER MOD Single : A 65 THR OG1 : rot 109:sc= 0.0485 USER MOD Single : A 68 GLN : amide:sc= -0.734 K(o=-0.73,f=-1.4) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 150:sc= -0.467 (180deg=-2.81!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00424 USER MOD Single : A 82 MET CE :methyl -159:sc= -2.77 (180deg=-4.04) USER MOD Single : A 83 ASN : amide:sc= -0.0912 X(o=-0.091,f=-0.29) USER MOD Single : A 94 THR OG1 : rot 52:sc= 1.17 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 160:sc=-0.00121 (180deg=-0.298) USER MOD Single : A 98 GLN : amide:sc= 0.439 X(o=0.44,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 103 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-0.19) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN : amide:sc= -2.46! K(o=-2.5!,f=-0.12) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.28) USER MOD Single : A 121 SER OG : rot 80:sc= 1.23 USER MOD Single : A 122 ASN : amide:sc=-0.00167 X(o=-0.0017,f=-0.4) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 27 -2.516 -17.452 8.123 1.00 0.00 N ATOM 26 CA GLU A 27 -1.541 -16.434 8.508 1.00 0.00 C ATOM 27 C GLU A 27 -0.127 -17.023 8.359 1.00 0.00 C ATOM 28 O GLU A 27 0.128 -18.088 8.930 1.00 0.00 O ATOM 29 CB GLU A 27 -1.818 -16.026 9.966 1.00 0.00 C ATOM 30 CG GLU A 27 -1.000 -14.814 10.433 1.00 0.00 C ATOM 31 CD GLU A 27 -0.412 -14.995 11.831 1.00 0.00 C ATOM 32 OE1 GLU A 27 -1.166 -15.074 12.828 1.00 0.00 O ATOM 33 OE2 GLU A 27 0.829 -15.086 11.956 1.00 0.00 O ATOM 0 HA GLU A 27 -1.619 -15.552 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.879 -15.801 10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.602 -16.872 10.618 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.191 -14.634 9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.635 -13.928 10.424 1.00 0.00 H new ATOM 41 N LEU A 28 0.788 -16.392 7.594 1.00 0.00 N ATOM 42 CA LEU A 28 2.193 -16.795 7.496 1.00 0.00 C ATOM 43 C LEU A 28 3.233 -15.655 7.279 1.00 0.00 C ATOM 44 O LEU A 28 4.052 -15.714 6.352 1.00 0.00 O ATOM 45 CB LEU A 28 2.330 -18.012 6.566 1.00 0.00 C ATOM 46 CG LEU A 28 1.746 -18.029 5.138 1.00 0.00 C ATOM 47 CD1 LEU A 28 0.220 -17.988 5.060 1.00 0.00 C ATOM 48 CD2 LEU A 28 2.290 -16.878 4.315 1.00 0.00 C ATOM 0 H LEU A 28 0.561 -15.578 7.022 1.00 0.00 H new ATOM 0 HA LEU A 28 2.492 -17.113 8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.397 -18.214 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.892 -18.859 7.093 1.00 0.00 H new ATOM 0 HG LEU A 28 2.061 -18.992 4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.091 -18.004 4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.194 -18.855 5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.144 -17.076 5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.863 -16.913 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.024 -15.934 4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.375 -16.958 4.250 1.00 0.00 H new ATOM 60 N PRO A 29 3.273 -14.618 8.131 1.00 0.00 N ATOM 61 CA PRO A 29 4.144 -13.456 7.993 1.00 0.00 C ATOM 62 C PRO A 29 5.625 -13.779 8.263 1.00 0.00 C ATOM 63 O PRO A 29 5.942 -14.205 9.376 1.00 0.00 O ATOM 64 CB PRO A 29 3.631 -12.414 8.998 1.00 0.00 C ATOM 65 CG PRO A 29 2.795 -13.212 10.005 1.00 0.00 C ATOM 66 CD PRO A 29 2.329 -14.409 9.198 1.00 0.00 C ATOM 0 HA PRO A 29 4.110 -13.092 6.966 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.457 -11.900 9.490 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.030 -11.651 8.503 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.387 -13.515 10.869 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.955 -12.629 10.382 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.266 -15.294 9.831 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.331 -14.233 8.796 1.00 0.00 H new ATOM 74 N PRO A 30 6.548 -13.546 7.312 1.00 0.00 N ATOM 75 CA PRO A 30 7.967 -13.399 7.601 1.00 0.00 C ATOM 76 C PRO A 30 8.279 -12.113 8.371 1.00 0.00 C ATOM 77 O PRO A 30 9.199 -12.135 9.189 1.00 0.00 O ATOM 78 CB PRO A 30 8.671 -13.352 6.237 1.00 0.00 C ATOM 79 CG PRO A 30 7.591 -12.817 5.302 1.00 0.00 C ATOM 80 CD PRO A 30 6.331 -13.447 5.881 1.00 0.00 C ATOM 0 HA PRO A 30 8.303 -14.225 8.228 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.544 -12.700 6.257 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.017 -14.339 5.929 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.545 -11.728 5.313 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.760 -13.119 4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.455 -12.837 5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.152 -14.430 5.446 1.00 0.00 H new ATOM 88 N GLY A 31 7.561 -11.015 8.110 1.00 0.00 N ATOM 89 CA GLY A 31 7.993 -9.657 8.399 1.00 0.00 C ATOM 90 C GLY A 31 7.811 -8.800 7.143 1.00 0.00 C ATOM 91 O GLY A 31 6.807 -8.096 7.007 1.00 0.00 O ATOM 0 H GLY A 31 6.637 -11.056 7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.412 -9.244 9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.038 -9.652 8.710 1.00 0.00 H new ATOM 95 N THR A 32 8.752 -8.897 6.204 1.00 0.00 N ATOM 96 CA THR A 32 8.737 -8.234 4.903 1.00 0.00 C ATOM 97 C THR A 32 8.972 -9.286 3.810 1.00 0.00 C ATOM 98 O THR A 32 9.417 -10.408 4.057 1.00 0.00 O ATOM 99 CB THR A 32 9.751 -7.058 4.880 1.00 0.00 C ATOM 100 OG1 THR A 32 9.506 -6.169 5.959 1.00 0.00 O ATOM 101 CG2 THR A 32 9.713 -6.215 3.584 1.00 0.00 C ATOM 0 H THR A 32 9.586 -9.469 6.338 1.00 0.00 H new ATOM 0 HA THR A 32 7.766 -7.779 4.708 1.00 0.00 H new ATOM 0 HB THR A 32 10.729 -7.534 4.952 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.236 -5.517 6.018 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.451 -5.415 3.649 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.942 -6.851 2.729 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.720 -5.783 3.460 1.00 0.00 H new ATOM 109 N TYR A 33 8.576 -8.928 2.595 1.00 0.00 N ATOM 110 CA TYR A 33 8.782 -9.626 1.342 1.00 0.00 C ATOM 111 C TYR A 33 9.037 -8.526 0.289 1.00 0.00 C ATOM 112 O TYR A 33 8.954 -7.331 0.606 1.00 0.00 O ATOM 113 CB TYR A 33 7.583 -10.562 1.077 1.00 0.00 C ATOM 114 CG TYR A 33 6.304 -9.986 0.507 1.00 0.00 C ATOM 115 CD1 TYR A 33 5.752 -8.798 1.008 1.00 0.00 C ATOM 116 CD2 TYR A 33 5.607 -10.696 -0.480 1.00 0.00 C ATOM 117 CE1 TYR A 33 4.561 -8.261 0.499 1.00 0.00 C ATOM 118 CE2 TYR A 33 4.414 -10.176 -1.000 1.00 0.00 C ATOM 119 CZ TYR A 33 3.909 -8.934 -0.552 1.00 0.00 C ATOM 120 OH TYR A 33 2.791 -8.410 -1.118 1.00 0.00 O ATOM 0 H TYR A 33 8.056 -8.062 2.454 1.00 0.00 H new ATOM 0 HA TYR A 33 9.641 -10.296 1.329 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.922 -11.343 0.397 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.332 -11.047 2.020 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.259 -8.282 1.809 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.988 -11.641 -0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.151 -7.348 0.906 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.874 -10.731 -1.752 1.00 0.00 H new ATOM 0 HH TYR A 33 2.562 -8.920 -1.923 1.00 0.00 H new ATOM 130 N ARG A 34 9.367 -8.873 -0.955 1.00 0.00 N ATOM 131 CA ARG A 34 9.753 -7.897 -1.982 1.00 0.00 C ATOM 132 C ARG A 34 9.154 -8.336 -3.301 1.00 0.00 C ATOM 133 O ARG A 34 9.323 -9.499 -3.666 1.00 0.00 O ATOM 134 CB ARG A 34 11.282 -7.815 -2.022 1.00 0.00 C ATOM 135 CG ARG A 34 11.861 -6.635 -2.809 1.00 0.00 C ATOM 136 CD ARG A 34 11.844 -6.817 -4.328 1.00 0.00 C ATOM 137 NE ARG A 34 12.831 -5.926 -4.952 1.00 0.00 N ATOM 138 CZ ARG A 34 13.378 -6.083 -6.158 1.00 0.00 C ATOM 139 NH1 ARG A 34 12.842 -6.900 -7.058 1.00 0.00 N ATOM 140 NH2 ARG A 34 14.478 -5.409 -6.468 1.00 0.00 N ATOM 0 H ARG A 34 9.375 -9.839 -1.282 1.00 0.00 H new ATOM 0 HA ARG A 34 9.376 -6.898 -1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.652 -7.762 -0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.666 -8.740 -2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.299 -5.736 -2.557 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.889 -6.469 -2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.067 -7.854 -4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.849 -6.601 -4.717 1.00 0.00 H new ATOM 0 HE ARG A 34 13.125 -5.112 -4.413 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.995 -7.422 -6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.277 -7.005 -7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.898 -4.777 -5.786 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.904 -5.523 -7.388 1.00 0.00 H new ATOM 154 N VAL A 35 8.371 -7.468 -3.934 1.00 0.00 N ATOM 155 CA VAL A 35 7.376 -7.873 -4.921 1.00 0.00 C ATOM 156 C VAL A 35 7.112 -6.751 -5.914 1.00 0.00 C ATOM 157 O VAL A 35 7.462 -5.597 -5.644 1.00 0.00 O ATOM 158 CB VAL A 35 6.056 -8.186 -4.204 1.00 0.00 C ATOM 159 CG1 VAL A 35 6.216 -9.434 -3.360 1.00 0.00 C ATOM 160 CG2 VAL A 35 5.533 -7.068 -3.301 1.00 0.00 C ATOM 0 H VAL A 35 8.409 -6.461 -3.776 1.00 0.00 H new ATOM 0 HA VAL A 35 7.755 -8.747 -5.450 1.00 0.00 H new ATOM 0 HB VAL A 35 5.325 -8.316 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.277 -9.653 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.487 -10.274 -4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.000 -9.274 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.597 -7.382 -2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.268 -6.854 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.361 -6.171 -3.895 1.00 0.00 H new ATOM 170 N ASP A 36 6.385 -7.062 -6.990 1.00 0.00 N ATOM 171 CA ASP A 36 5.687 -6.093 -7.817 1.00 0.00 C ATOM 172 C ASP A 36 4.385 -5.756 -7.104 1.00 0.00 C ATOM 173 O ASP A 36 3.601 -6.630 -6.724 1.00 0.00 O ATOM 174 CB ASP A 36 5.448 -6.555 -9.269 1.00 0.00 C ATOM 175 CG ASP A 36 5.126 -8.029 -9.496 1.00 0.00 C ATOM 176 OD1 ASP A 36 6.093 -8.809 -9.657 1.00 0.00 O ATOM 177 OD2 ASP A 36 3.947 -8.398 -9.687 1.00 0.00 O ATOM 0 H ASP A 36 6.267 -8.022 -7.313 1.00 0.00 H new ATOM 0 HA ASP A 36 6.315 -5.209 -7.931 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.628 -5.965 -9.679 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.338 -6.312 -9.850 1.00 0.00 H new ATOM 183 N ILE A 37 4.188 -4.469 -6.855 1.00 0.00 N ATOM 184 CA ILE A 37 2.952 -3.918 -6.344 1.00 0.00 C ATOM 185 C ILE A 37 2.033 -3.779 -7.553 1.00 0.00 C ATOM 186 O ILE A 37 2.444 -3.328 -8.628 1.00 0.00 O ATOM 187 CB ILE A 37 3.196 -2.498 -5.783 1.00 0.00 C ATOM 188 CG1 ILE A 37 4.187 -2.513 -4.614 1.00 0.00 C ATOM 189 CG2 ILE A 37 1.902 -1.791 -5.326 1.00 0.00 C ATOM 190 CD1 ILE A 37 5.005 -1.232 -4.535 1.00 0.00 C ATOM 0 H ILE A 37 4.908 -3.763 -7.009 1.00 0.00 H new ATOM 0 HA ILE A 37 2.540 -4.550 -5.557 1.00 0.00 H new ATOM 0 HB ILE A 37 3.615 -1.935 -6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.642 -2.652 -3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.859 -3.365 -4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.145 -0.800 -4.943 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.221 -1.697 -6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.426 -2.377 -4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.692 -1.291 -3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.572 -1.105 -5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.337 -0.381 -4.400 1.00 0.00 H new ATOM 202 N TYR A 38 0.759 -4.040 -7.344 1.00 0.00 N ATOM 203 CA TYR A 38 -0.300 -3.940 -8.313 1.00 0.00 C ATOM 204 C TYR A 38 -1.449 -3.219 -7.635 1.00 0.00 C ATOM 205 O TYR A 38 -1.788 -3.518 -6.492 1.00 0.00 O ATOM 206 CB TYR A 38 -0.672 -5.357 -8.754 1.00 0.00 C ATOM 207 CG TYR A 38 -0.122 -5.671 -10.120 1.00 0.00 C ATOM 208 CD1 TYR A 38 1.197 -6.143 -10.253 1.00 0.00 C ATOM 209 CD2 TYR A 38 -0.903 -5.424 -11.260 1.00 0.00 C ATOM 210 CE1 TYR A 38 1.717 -6.409 -11.526 1.00 0.00 C ATOM 211 CE2 TYR A 38 -0.382 -5.680 -12.536 1.00 0.00 C ATOM 212 CZ TYR A 38 0.922 -6.197 -12.672 1.00 0.00 C ATOM 213 OH TYR A 38 1.425 -6.443 -13.909 1.00 0.00 O ATOM 0 H TYR A 38 0.420 -4.347 -6.432 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.016 -3.382 -9.205 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.288 -6.077 -8.031 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.757 -5.463 -8.764 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.807 -6.300 -9.376 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.906 -5.037 -11.154 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.727 -6.777 -11.630 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.979 -5.481 -13.414 1.00 0.00 H new ATOM 0 HH TYR A 38 0.743 -6.245 -14.585 1.00 0.00 H new ATOM 223 N LEU A 39 -2.046 -2.252 -8.326 1.00 0.00 N ATOM 224 CA LEU A 39 -3.224 -1.568 -7.835 1.00 0.00 C ATOM 225 C LEU A 39 -4.174 -1.364 -8.984 1.00 0.00 C ATOM 226 O LEU A 39 -3.716 -0.990 -10.060 1.00 0.00 O ATOM 227 CB LEU A 39 -2.850 -0.238 -7.187 1.00 0.00 C ATOM 228 CG LEU A 39 -4.109 0.350 -6.524 1.00 0.00 C ATOM 229 CD1 LEU A 39 -3.809 0.947 -5.163 1.00 0.00 C ATOM 230 CD2 LEU A 39 -4.831 1.399 -7.373 1.00 0.00 C ATOM 0 H LEU A 39 -1.724 -1.926 -9.237 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.707 -2.173 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.064 -0.385 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.458 0.451 -7.935 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.776 -0.505 -6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.726 1.350 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.409 0.174 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.076 1.747 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.706 1.763 -6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.157 2.231 -7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.145 0.951 -8.316 1.00 0.00 H new ATOM 242 N ASN A 40 -5.465 -1.608 -8.749 1.00 0.00 N ATOM 243 CA ASN A 40 -6.520 -1.676 -9.764 1.00 0.00 C ATOM 244 C ASN A 40 -6.016 -2.391 -11.021 1.00 0.00 C ATOM 245 O ASN A 40 -6.225 -1.936 -12.142 1.00 0.00 O ATOM 246 CB ASN A 40 -7.118 -0.281 -10.062 1.00 0.00 C ATOM 247 CG ASN A 40 -7.922 0.287 -8.899 1.00 0.00 C ATOM 248 OD1 ASN A 40 -8.309 -0.442 -7.994 1.00 0.00 O ATOM 249 ND2 ASN A 40 -8.180 1.581 -8.864 1.00 0.00 N ATOM 0 H ASN A 40 -5.819 -1.771 -7.806 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.341 -2.273 -9.366 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.311 0.408 -10.308 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.759 -0.348 -10.941 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.703 1.976 -8.082 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.857 2.186 -9.619 1.00 0.00 H new ATOM 256 N ASN A 41 -5.306 -3.514 -10.843 1.00 0.00 N ATOM 257 CA ASN A 41 -4.693 -4.316 -11.910 1.00 0.00 C ATOM 258 C ASN A 41 -3.685 -3.557 -12.795 1.00 0.00 C ATOM 259 O ASN A 41 -3.227 -4.089 -13.809 1.00 0.00 O ATOM 260 CB ASN A 41 -5.794 -5.017 -12.730 1.00 0.00 C ATOM 261 CG ASN A 41 -6.104 -6.412 -12.219 1.00 0.00 C ATOM 262 OD1 ASN A 41 -6.317 -7.314 -13.020 1.00 0.00 O ATOM 263 ND2 ASN A 41 -6.165 -6.624 -10.914 1.00 0.00 N ATOM 0 H ASN A 41 -5.137 -3.903 -9.916 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.077 -5.069 -11.420 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.702 -4.414 -12.703 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.483 -5.077 -13.773 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.393 -7.552 -10.558 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.984 -5.859 -10.264 1.00 0.00 H new ATOM 270 N GLY A 42 -3.281 -2.345 -12.416 1.00 0.00 N ATOM 271 CA GLY A 42 -2.578 -1.417 -13.283 1.00 0.00 C ATOM 272 C GLY A 42 -1.058 -1.550 -13.264 1.00 0.00 C ATOM 273 O GLY A 42 -0.424 -1.021 -14.174 1.00 0.00 O ATOM 0 H GLY A 42 -3.439 -1.979 -11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.928 -1.560 -14.305 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.843 -0.400 -12.994 1.00 0.00 H new ATOM 277 N TYR A 43 -0.494 -2.301 -12.306 1.00 0.00 N ATOM 278 CA TYR A 43 0.911 -2.283 -11.865 1.00 0.00 C ATOM 279 C TYR A 43 1.311 -0.903 -11.333 1.00 0.00 C ATOM 280 O TYR A 43 0.798 0.105 -11.807 1.00 0.00 O ATOM 281 CB TYR A 43 1.886 -2.735 -12.967 1.00 0.00 C ATOM 282 CG TYR A 43 3.337 -2.659 -12.529 1.00 0.00 C ATOM 283 CD1 TYR A 43 3.789 -3.437 -11.444 1.00 0.00 C ATOM 284 CD2 TYR A 43 4.209 -1.732 -13.133 1.00 0.00 C ATOM 285 CE1 TYR A 43 5.103 -3.293 -10.970 1.00 0.00 C ATOM 286 CE2 TYR A 43 5.528 -1.598 -12.670 1.00 0.00 C ATOM 287 CZ TYR A 43 5.982 -2.383 -11.592 1.00 0.00 C ATOM 288 OH TYR A 43 7.263 -2.261 -11.153 1.00 0.00 O ATOM 0 H TYR A 43 -1.043 -2.983 -11.783 1.00 0.00 H new ATOM 0 HA TYR A 43 0.983 -3.006 -11.053 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.651 -3.759 -13.257 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.744 -2.113 -13.850 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.123 -4.146 -10.976 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.862 -1.123 -13.954 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.440 -3.880 -10.128 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.196 -0.892 -13.141 1.00 0.00 H new ATOM 0 HH TYR A 43 7.463 -2.985 -10.523 1.00 0.00 H new ATOM 298 N MET A 44 2.237 -0.848 -10.372 1.00 0.00 N ATOM 299 CA MET A 44 2.776 0.418 -9.874 1.00 0.00 C ATOM 300 C MET A 44 4.300 0.428 -9.919 1.00 0.00 C ATOM 301 O MET A 44 4.908 1.074 -10.777 1.00 0.00 O ATOM 302 CB MET A 44 2.218 0.715 -8.464 1.00 0.00 C ATOM 303 CG MET A 44 0.709 0.959 -8.473 1.00 0.00 C ATOM 304 SD MET A 44 0.243 2.276 -9.629 1.00 0.00 S ATOM 305 CE MET A 44 -1.410 1.750 -10.091 1.00 0.00 C ATOM 0 H MET A 44 2.631 -1.674 -9.921 1.00 0.00 H new ATOM 0 HA MET A 44 2.449 1.224 -10.531 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.444 -0.122 -7.803 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.722 1.590 -8.054 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.194 0.038 -8.746 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.378 1.224 -7.469 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.626 2.079 -11.108 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.474 0.663 -10.040 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.136 2.188 -9.406 1.00 0.00 H new ATOM 315 N ALA A 45 4.910 -0.266 -8.966 1.00 0.00 N ATOM 316 CA ALA A 45 6.347 -0.278 -8.709 1.00 0.00 C ATOM 317 C ALA A 45 6.734 -1.637 -8.125 1.00 0.00 C ATOM 318 O ALA A 45 5.857 -2.439 -7.801 1.00 0.00 O ATOM 319 CB ALA A 45 6.683 0.855 -7.730 1.00 0.00 C ATOM 0 H ALA A 45 4.393 -0.864 -8.321 1.00 0.00 H new ATOM 0 HA ALA A 45 6.907 -0.122 -9.631 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.754 0.857 -7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.394 1.811 -8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.140 0.703 -6.797 1.00 0.00 H new ATOM 325 N THR A 46 8.026 -1.889 -7.930 1.00 0.00 N ATOM 326 CA THR A 46 8.540 -3.133 -7.373 1.00 0.00 C ATOM 327 C THR A 46 9.480 -2.787 -6.219 1.00 0.00 C ATOM 328 O THR A 46 10.554 -2.237 -6.476 1.00 0.00 O ATOM 329 CB THR A 46 9.242 -3.941 -8.477 1.00 0.00 C ATOM 330 OG1 THR A 46 8.372 -4.176 -9.572 1.00 0.00 O ATOM 331 CG2 THR A 46 9.714 -5.293 -7.953 1.00 0.00 C ATOM 0 H THR A 46 8.759 -1.218 -8.161 1.00 0.00 H new ATOM 0 HA THR A 46 7.733 -3.756 -6.986 1.00 0.00 H new ATOM 0 HB THR A 46 10.097 -3.349 -8.802 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.844 -4.690 -10.260 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.207 -5.842 -8.755 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.416 -5.141 -7.133 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.857 -5.864 -7.595 1.00 0.00 H new ATOM 339 N ARG A 47 9.074 -3.018 -4.961 1.00 0.00 N ATOM 340 CA ARG A 47 9.829 -2.651 -3.759 1.00 0.00 C ATOM 341 C ARG A 47 9.527 -3.596 -2.583 1.00 0.00 C ATOM 342 O ARG A 47 8.657 -4.466 -2.675 1.00 0.00 O ATOM 343 CB ARG A 47 9.499 -1.192 -3.367 1.00 0.00 C ATOM 344 CG ARG A 47 10.009 -0.105 -4.327 1.00 0.00 C ATOM 345 CD ARG A 47 11.542 -0.128 -4.456 1.00 0.00 C ATOM 346 NE ARG A 47 12.074 1.014 -5.214 1.00 0.00 N ATOM 347 CZ ARG A 47 12.376 1.024 -6.517 1.00 0.00 C ATOM 348 NH1 ARG A 47 12.099 -0.016 -7.300 1.00 0.00 N ATOM 349 NH2 ARG A 47 12.956 2.084 -7.055 1.00 0.00 N ATOM 0 H ARG A 47 8.188 -3.477 -4.749 1.00 0.00 H new ATOM 0 HA ARG A 47 10.891 -2.742 -3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.417 -1.095 -3.282 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.915 -0.999 -2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.560 -0.248 -5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.689 0.874 -3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.984 -0.133 -3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.846 -1.054 -4.944 1.00 0.00 H new ATOM 0 HE ARG A 47 12.227 1.880 -4.698 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.647 -0.843 -6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.338 0.014 -8.291 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.174 2.895 -6.476 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.186 2.090 -8.049 1.00 0.00 H new ATOM 363 N ASP A 48 10.271 -3.400 -1.491 1.00 0.00 N ATOM 364 CA ASP A 48 10.151 -4.007 -0.155 1.00 0.00 C ATOM 365 C ASP A 48 8.818 -3.587 0.469 1.00 0.00 C ATOM 366 O ASP A 48 8.367 -2.462 0.239 1.00 0.00 O ATOM 367 CB ASP A 48 11.326 -3.635 0.735 1.00 0.00 C ATOM 368 CG ASP A 48 12.640 -3.704 -0.021 1.00 0.00 C ATOM 369 OD1 ASP A 48 13.324 -4.738 0.066 1.00 0.00 O ATOM 370 OD2 ASP A 48 12.950 -2.748 -0.770 1.00 0.00 O ATOM 0 H ASP A 48 11.053 -2.746 -1.520 1.00 0.00 H new ATOM 0 HA ASP A 48 10.170 -5.092 -0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.183 -2.628 1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.362 -4.308 1.592 1.00 0.00 H new ATOM 376 N VAL A 49 8.175 -4.462 1.240 1.00 0.00 N ATOM 377 CA VAL A 49 6.834 -4.238 1.790 1.00 0.00 C ATOM 378 C VAL A 49 6.656 -5.070 3.047 1.00 0.00 C ATOM 379 O VAL A 49 6.569 -6.294 3.002 1.00 0.00 O ATOM 380 CB VAL A 49 5.768 -4.563 0.734 1.00 0.00 C ATOM 381 CG1 VAL A 49 6.178 -5.728 -0.169 1.00 0.00 C ATOM 382 CG2 VAL A 49 4.307 -4.643 1.198 1.00 0.00 C ATOM 0 H VAL A 49 8.575 -5.362 1.506 1.00 0.00 H new ATOM 0 HA VAL A 49 6.716 -3.189 2.060 1.00 0.00 H new ATOM 0 HB VAL A 49 5.752 -3.655 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.390 -5.918 -0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.102 -5.477 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.334 -6.620 0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.668 -4.879 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.208 -5.422 1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.007 -3.685 1.622 1.00 0.00 H new ATOM 392 N THR A 50 6.634 -4.403 4.181 1.00 0.00 N ATOM 393 CA THR A 50 6.406 -4.997 5.481 1.00 0.00 C ATOM 394 C THR A 50 4.908 -5.270 5.590 1.00 0.00 C ATOM 395 O THR A 50 4.099 -4.439 5.173 1.00 0.00 O ATOM 396 CB THR A 50 6.916 -4.018 6.548 1.00 0.00 C ATOM 397 OG1 THR A 50 8.233 -3.612 6.239 1.00 0.00 O ATOM 398 CG2 THR A 50 6.946 -4.627 7.943 1.00 0.00 C ATOM 0 H THR A 50 6.780 -3.394 4.224 1.00 0.00 H new ATOM 0 HA THR A 50 6.938 -5.938 5.624 1.00 0.00 H new ATOM 0 HB THR A 50 6.222 -3.178 6.545 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.767 -4.395 5.989 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.315 -3.888 8.655 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.940 -4.934 8.228 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.605 -5.495 7.947 1.00 0.00 H new ATOM 406 N PHE A 51 4.500 -6.427 6.112 1.00 0.00 N ATOM 407 CA PHE A 51 3.100 -6.744 6.352 1.00 0.00 C ATOM 408 C PHE A 51 3.011 -7.573 7.626 1.00 0.00 C ATOM 409 O PHE A 51 3.893 -8.386 7.904 1.00 0.00 O ATOM 410 CB PHE A 51 2.438 -7.439 5.137 1.00 0.00 C ATOM 411 CG PHE A 51 3.148 -8.654 4.592 1.00 0.00 C ATOM 412 CD1 PHE A 51 4.453 -8.549 4.088 1.00 0.00 C ATOM 413 CD2 PHE A 51 2.506 -9.898 4.605 1.00 0.00 C ATOM 414 CE1 PHE A 51 5.196 -9.718 3.861 1.00 0.00 C ATOM 415 CE2 PHE A 51 3.223 -11.062 4.282 1.00 0.00 C ATOM 416 CZ PHE A 51 4.585 -10.971 3.979 1.00 0.00 C ATOM 0 H PHE A 51 5.141 -7.174 6.381 1.00 0.00 H new ATOM 0 HA PHE A 51 2.534 -5.822 6.486 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.427 -7.732 5.420 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.345 -6.708 4.334 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.881 -7.580 3.877 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.459 -9.963 4.863 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.241 -9.650 3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.726 -12.021 4.268 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.166 -11.870 3.836 1.00 0.00 H new ATOM 426 N ASN A 52 1.982 -7.321 8.429 1.00 0.00 N ATOM 427 CA ASN A 52 1.838 -7.803 9.804 1.00 0.00 C ATOM 428 C ASN A 52 0.358 -7.852 10.142 1.00 0.00 C ATOM 429 O ASN A 52 -0.468 -7.298 9.409 1.00 0.00 O ATOM 430 CB ASN A 52 2.565 -6.909 10.830 1.00 0.00 C ATOM 431 CG ASN A 52 2.641 -5.452 10.424 1.00 0.00 C ATOM 432 OD1 ASN A 52 1.732 -4.669 10.678 1.00 0.00 O ATOM 433 ND2 ASN A 52 3.693 -5.081 9.718 1.00 0.00 N ATOM 0 H ASN A 52 1.191 -6.751 8.129 1.00 0.00 H new ATOM 0 HA ASN A 52 2.294 -8.791 9.862 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.054 -6.983 11.790 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.576 -7.289 10.977 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.763 -4.124 9.371 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.436 -5.751 9.520 1.00 0.00 H new ATOM 440 N THR A 53 0.028 -8.559 11.220 1.00 0.00 N ATOM 441 CA THR A 53 -1.321 -9.007 11.513 1.00 0.00 C ATOM 442 C THR A 53 -2.266 -7.838 11.799 1.00 0.00 C ATOM 443 O THR A 53 -2.138 -7.169 12.831 1.00 0.00 O ATOM 444 CB THR A 53 -1.299 -10.029 12.660 1.00 0.00 C ATOM 445 OG1 THR A 53 -0.225 -9.810 13.559 1.00 0.00 O ATOM 446 CG2 THR A 53 -1.150 -11.424 12.062 1.00 0.00 C ATOM 0 H THR A 53 0.709 -8.840 11.926 1.00 0.00 H new ATOM 0 HA THR A 53 -1.717 -9.501 10.626 1.00 0.00 H new ATOM 0 HB THR A 53 -2.229 -9.924 13.218 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.253 -10.482 14.272 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.132 -12.163 12.863 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.991 -11.627 11.399 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.220 -11.480 11.496 1.00 0.00 H new ATOM 454 N GLY A 54 -3.206 -7.601 10.887 1.00 0.00 N ATOM 455 CA GLY A 54 -4.189 -6.541 10.919 1.00 0.00 C ATOM 456 C GLY A 54 -5.570 -7.110 10.619 1.00 0.00 C ATOM 457 O GLY A 54 -6.307 -7.411 11.555 1.00 0.00 O ATOM 0 H GLY A 54 -3.300 -8.186 10.057 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.188 -6.061 11.898 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.935 -5.774 10.187 1.00 0.00 H new ATOM 461 N ASP A 55 -5.937 -7.224 9.340 1.00 0.00 N ATOM 462 CA ASP A 55 -7.264 -7.657 8.891 1.00 0.00 C ATOM 463 C ASP A 55 -7.197 -7.941 7.390 1.00 0.00 C ATOM 464 O ASP A 55 -7.195 -7.002 6.593 1.00 0.00 O ATOM 465 CB ASP A 55 -8.281 -6.540 9.177 1.00 0.00 C ATOM 466 CG ASP A 55 -9.666 -6.727 8.549 1.00 0.00 C ATOM 467 OD1 ASP A 55 -10.423 -5.724 8.570 1.00 0.00 O ATOM 468 OD2 ASP A 55 -10.019 -7.825 8.067 1.00 0.00 O ATOM 0 H ASP A 55 -5.304 -7.013 8.568 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.574 -8.559 9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.401 -6.450 10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.866 -5.596 8.823 1.00 0.00 H new ATOM 474 N SER A 56 -7.030 -9.207 6.986 1.00 0.00 N ATOM 475 CA SER A 56 -7.023 -9.683 5.596 1.00 0.00 C ATOM 476 C SER A 56 -7.141 -11.218 5.538 1.00 0.00 C ATOM 477 O SER A 56 -7.311 -11.864 6.570 1.00 0.00 O ATOM 478 CB SER A 56 -5.750 -9.206 4.893 1.00 0.00 C ATOM 479 OG SER A 56 -5.816 -7.824 4.610 1.00 0.00 O ATOM 0 H SER A 56 -6.889 -9.965 7.653 1.00 0.00 H new ATOM 0 HA SER A 56 -7.888 -9.267 5.079 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.884 -9.411 5.522 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.611 -9.764 3.967 1.00 0.00 H new ATOM 0 HG SER A 56 -6.586 -7.432 5.072 1.00 0.00 H new ATOM 485 N GLU A 57 -7.058 -11.828 4.350 1.00 0.00 N ATOM 486 CA GLU A 57 -7.222 -13.270 4.159 1.00 0.00 C ATOM 487 C GLU A 57 -6.132 -14.072 4.876 1.00 0.00 C ATOM 488 O GLU A 57 -6.433 -15.108 5.463 1.00 0.00 O ATOM 489 CB GLU A 57 -7.215 -13.587 2.658 1.00 0.00 C ATOM 490 CG GLU A 57 -7.604 -15.038 2.355 1.00 0.00 C ATOM 491 CD GLU A 57 -7.695 -15.262 0.849 1.00 0.00 C ATOM 492 OE1 GLU A 57 -8.769 -14.998 0.254 1.00 0.00 O ATOM 493 OE2 GLU A 57 -6.702 -15.728 0.249 1.00 0.00 O ATOM 0 H GLU A 57 -6.872 -11.324 3.483 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.176 -13.564 4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.905 -12.916 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.222 -13.390 2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.867 -15.716 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.561 -15.269 2.822 1.00 0.00 H new ATOM 501 N GLN A 58 -4.879 -13.606 4.848 1.00 0.00 N ATOM 502 CA GLN A 58 -3.780 -14.193 5.616 1.00 0.00 C ATOM 503 C GLN A 58 -3.630 -13.465 6.961 1.00 0.00 C ATOM 504 O GLN A 58 -2.562 -13.495 7.567 1.00 0.00 O ATOM 505 CB GLN A 58 -2.489 -14.173 4.775 1.00 0.00 C ATOM 506 CG GLN A 58 -2.544 -15.126 3.582 1.00 0.00 C ATOM 507 CD GLN A 58 -1.357 -14.907 2.648 1.00 0.00 C ATOM 508 OE1 GLN A 58 -0.200 -15.039 3.032 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.611 -14.549 1.402 1.00 0.00 N ATOM 0 H GLN A 58 -4.598 -12.803 4.285 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.997 -15.236 5.845 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.310 -13.159 4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.644 -14.440 5.409 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.547 -16.157 3.936 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.474 -14.975 3.034 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.576 -14.441 1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.842 -14.381 0.753 1.00 0.00 H new ATOM 518 N GLY A 59 -4.647 -12.719 7.394 1.00 0.00 N ATOM 519 CA GLY A 59 -4.617 -11.909 8.601 1.00 0.00 C ATOM 520 C GLY A 59 -3.700 -10.696 8.477 1.00 0.00 C ATOM 521 O GLY A 59 -3.702 -9.856 9.368 1.00 0.00 O ATOM 0 H GLY A 59 -5.536 -12.664 6.897 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.628 -11.572 8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.287 -12.524 9.438 1.00 0.00 H new ATOM 525 N ILE A 60 -2.925 -10.565 7.398 1.00 0.00 N ATOM 526 CA ILE A 60 -1.827 -9.616 7.287 1.00 0.00 C ATOM 527 C ILE A 60 -2.098 -8.574 6.217 1.00 0.00 C ATOM 528 O ILE A 60 -2.570 -8.888 5.121 1.00 0.00 O ATOM 529 CB ILE A 60 -0.487 -10.337 7.034 1.00 0.00 C ATOM 530 CG1 ILE A 60 -0.544 -11.396 5.905 1.00 0.00 C ATOM 531 CG2 ILE A 60 0.032 -10.942 8.338 1.00 0.00 C ATOM 532 CD1 ILE A 60 0.600 -12.419 5.913 1.00 0.00 C ATOM 0 H ILE A 60 -3.051 -11.132 6.560 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.750 -9.095 8.241 1.00 0.00 H new ATOM 0 HB ILE A 60 0.212 -9.581 6.678 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.490 -11.932 5.978 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.543 -10.881 4.944 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.978 -11.450 8.152 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.183 -10.150 9.072 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.695 -11.658 8.721 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.470 -13.116 5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.553 -11.900 5.805 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.591 -12.968 6.855 1.00 0.00 H new ATOM 544 N VAL A 61 -1.742 -7.337 6.538 1.00 0.00 N ATOM 545 CA VAL A 61 -1.943 -6.146 5.730 1.00 0.00 C ATOM 546 C VAL A 61 -0.578 -5.514 5.472 1.00 0.00 C ATOM 547 O VAL A 61 0.282 -5.600 6.352 1.00 0.00 O ATOM 548 CB VAL A 61 -2.859 -5.160 6.484 1.00 0.00 C ATOM 549 CG1 VAL A 61 -4.295 -5.686 6.523 1.00 0.00 C ATOM 550 CG2 VAL A 61 -2.381 -4.900 7.921 1.00 0.00 C ATOM 0 H VAL A 61 -1.278 -7.128 7.422 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.418 -6.399 4.782 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.820 -4.218 5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.927 -4.978 7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.666 -5.806 5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.316 -6.649 7.033 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.059 -4.200 8.409 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.368 -5.838 8.475 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.377 -4.477 7.899 1.00 0.00 H new ATOM 560 N PRO A 62 -0.353 -4.871 4.315 1.00 0.00 N ATOM 561 CA PRO A 62 0.893 -4.177 4.054 1.00 0.00 C ATOM 562 C PRO A 62 0.930 -2.843 4.800 1.00 0.00 C ATOM 563 O PRO A 62 -0.077 -2.129 4.883 1.00 0.00 O ATOM 564 CB PRO A 62 0.928 -3.990 2.538 1.00 0.00 C ATOM 565 CG PRO A 62 -0.551 -3.812 2.193 1.00 0.00 C ATOM 566 CD PRO A 62 -1.237 -4.778 3.162 1.00 0.00 C ATOM 0 HA PRO A 62 1.765 -4.731 4.402 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.519 -3.121 2.250 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.362 -4.853 2.032 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.882 -2.784 2.343 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.758 -4.065 1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.221 -4.409 3.452 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.385 -5.755 2.702 1.00 0.00 H new ATOM 574 N CYS A 63 2.117 -2.468 5.268 1.00 0.00 N ATOM 575 CA CYS A 63 2.466 -1.086 5.511 1.00 0.00 C ATOM 576 C CYS A 63 2.575 -0.424 4.151 1.00 0.00 C ATOM 577 O CYS A 63 3.462 -0.765 3.369 1.00 0.00 O ATOM 578 CB CYS A 63 3.805 -0.975 6.242 1.00 0.00 C ATOM 579 SG CYS A 63 4.297 0.732 6.608 1.00 0.00 S ATOM 0 H CYS A 63 2.865 -3.126 5.489 1.00 0.00 H new ATOM 0 HA CYS A 63 1.712 -0.609 6.138 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.747 -1.535 7.175 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.580 -1.445 5.636 1.00 0.00 H new ATOM 0 HG CYS A 63 5.439 0.731 7.228 1.00 0.00 H new ATOM 585 N LEU A 64 1.681 0.516 3.874 1.00 0.00 N ATOM 586 CA LEU A 64 1.818 1.489 2.805 1.00 0.00 C ATOM 587 C LEU A 64 1.552 2.818 3.504 1.00 0.00 C ATOM 588 O LEU A 64 0.754 2.875 4.450 1.00 0.00 O ATOM 589 CB LEU A 64 0.825 1.225 1.651 1.00 0.00 C ATOM 590 CG LEU A 64 0.736 -0.237 1.156 1.00 0.00 C ATOM 591 CD1 LEU A 64 -0.463 -0.425 0.224 1.00 0.00 C ATOM 592 CD2 LEU A 64 1.997 -0.717 0.422 1.00 0.00 C ATOM 0 H LEU A 64 0.816 0.623 4.404 1.00 0.00 H new ATOM 0 HA LEU A 64 2.796 1.456 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.168 1.540 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.102 1.857 0.808 1.00 0.00 H new ATOM 0 HG LEU A 64 0.624 -0.838 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.504 -1.461 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.381 -0.179 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.359 0.232 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.862 -1.751 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.171 -0.089 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.855 -0.653 1.092 1.00 0.00 H new ATOM 604 N THR A 65 2.238 3.873 3.087 1.00 0.00 N ATOM 605 CA THR A 65 2.155 5.168 3.746 1.00 0.00 C ATOM 606 C THR A 65 1.352 6.120 2.868 1.00 0.00 C ATOM 607 O THR A 65 0.955 5.743 1.765 1.00 0.00 O ATOM 608 CB THR A 65 3.556 5.684 4.102 1.00 0.00 C ATOM 609 OG1 THR A 65 4.237 6.131 2.939 1.00 0.00 O ATOM 610 CG2 THR A 65 4.417 4.619 4.781 1.00 0.00 C ATOM 0 H THR A 65 2.866 3.855 2.284 1.00 0.00 H new ATOM 0 HA THR A 65 1.627 5.083 4.696 1.00 0.00 H new ATOM 0 HB THR A 65 3.407 6.509 4.799 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.306 7.108 2.956 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.397 5.036 5.011 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.935 4.295 5.703 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.534 3.765 4.113 1.00 0.00 H new ATOM 618 N ARG A 66 1.128 7.369 3.292 1.00 0.00 N ATOM 619 CA ARG A 66 0.432 8.334 2.435 1.00 0.00 C ATOM 620 C ARG A 66 1.155 8.463 1.099 1.00 0.00 C ATOM 621 O ARG A 66 0.528 8.458 0.042 1.00 0.00 O ATOM 622 CB ARG A 66 0.397 9.741 3.084 1.00 0.00 C ATOM 623 CG ARG A 66 -0.156 9.775 4.512 1.00 0.00 C ATOM 624 CD ARG A 66 -0.716 11.146 4.932 1.00 0.00 C ATOM 625 NE ARG A 66 0.250 12.257 5.010 1.00 0.00 N ATOM 626 CZ ARG A 66 -0.095 13.539 5.201 1.00 0.00 C ATOM 627 NH1 ARG A 66 -1.372 13.900 5.287 1.00 0.00 N ATOM 628 NH2 ARG A 66 0.835 14.478 5.299 1.00 0.00 N ATOM 0 H ARG A 66 1.412 7.729 4.203 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.585 7.967 2.296 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.408 10.148 3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.207 10.399 2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.944 9.028 4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.636 9.489 5.205 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.500 11.424 4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.189 11.037 5.908 1.00 0.00 H new ATOM 0 HE ARG A 66 1.241 12.037 4.913 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.107 13.197 5.208 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.616 14.880 5.432 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.821 14.228 5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.564 15.451 5.444 1.00 0.00 H new ATOM 642 N ALA A 67 2.484 8.570 1.167 1.00 0.00 N ATOM 643 CA ALA A 67 3.325 8.706 -0.003 1.00 0.00 C ATOM 644 C ALA A 67 3.206 7.471 -0.886 1.00 0.00 C ATOM 645 O ALA A 67 2.950 7.622 -2.079 1.00 0.00 O ATOM 646 CB ALA A 67 4.766 8.951 0.428 1.00 0.00 C ATOM 0 H ALA A 67 3.001 8.564 2.046 1.00 0.00 H new ATOM 0 HA ALA A 67 2.995 9.562 -0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.397 9.053 -0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.818 9.865 1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.114 8.110 1.028 1.00 0.00 H new ATOM 652 N GLN A 68 3.372 6.265 -0.324 1.00 0.00 N ATOM 653 CA GLN A 68 3.266 5.050 -1.126 1.00 0.00 C ATOM 654 C GLN A 68 1.887 4.952 -1.764 1.00 0.00 C ATOM 655 O GLN A 68 1.774 4.657 -2.950 1.00 0.00 O ATOM 656 CB GLN A 68 3.577 3.764 -0.339 1.00 0.00 C ATOM 657 CG GLN A 68 4.881 3.692 0.458 1.00 0.00 C ATOM 658 CD GLN A 68 6.053 4.457 -0.140 1.00 0.00 C ATOM 659 OE1 GLN A 68 6.228 4.536 -1.355 1.00 0.00 O ATOM 660 NE2 GLN A 68 6.835 5.112 0.693 1.00 0.00 N ATOM 0 H GLN A 68 3.576 6.111 0.663 1.00 0.00 H new ATOM 0 HA GLN A 68 4.028 5.131 -1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.754 3.594 0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.574 2.934 -1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.695 4.072 1.462 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.167 2.645 0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.682 5.040 1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.593 5.691 0.332 1.00 0.00 H new ATOM 669 N LEU A 69 0.831 5.247 -1.011 1.00 0.00 N ATOM 670 CA LEU A 69 -0.520 5.101 -1.507 1.00 0.00 C ATOM 671 C LEU A 69 -0.805 6.034 -2.677 1.00 0.00 C ATOM 672 O LEU A 69 -1.399 5.627 -3.681 1.00 0.00 O ATOM 673 CB LEU A 69 -1.537 5.311 -0.399 1.00 0.00 C ATOM 674 CG LEU A 69 -1.598 4.147 0.611 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.579 4.523 1.706 1.00 0.00 C ATOM 676 CD2 LEU A 69 -2.076 2.824 0.007 1.00 0.00 C ATOM 0 H LEU A 69 0.893 5.589 -0.052 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.613 4.078 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.297 6.231 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.523 5.448 -0.843 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.581 3.994 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.640 3.714 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.240 5.432 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.563 4.693 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.091 2.056 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.080 2.951 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.398 2.522 -0.791 1.00 0.00 H new ATOM 688 N ALA A 70 -0.356 7.279 -2.583 1.00 0.00 N ATOM 689 CA ALA A 70 -0.426 8.218 -3.685 1.00 0.00 C ATOM 690 C ALA A 70 0.412 7.737 -4.876 1.00 0.00 C ATOM 691 O ALA A 70 0.011 7.952 -6.019 1.00 0.00 O ATOM 692 CB ALA A 70 0.137 9.543 -3.186 1.00 0.00 C ATOM 0 H ALA A 70 0.067 7.663 -1.738 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.459 8.316 -4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.102 10.279 -3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.457 9.897 -2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.170 9.403 -2.868 1.00 0.00 H new ATOM 698 N SER A 71 1.524 7.041 -4.620 1.00 0.00 N ATOM 699 CA SER A 71 2.377 6.383 -5.614 1.00 0.00 C ATOM 700 C SER A 71 1.659 5.209 -6.302 1.00 0.00 C ATOM 701 O SER A 71 2.240 4.569 -7.178 1.00 0.00 O ATOM 702 CB SER A 71 3.671 5.905 -4.924 1.00 0.00 C ATOM 703 OG SER A 71 4.825 6.008 -5.736 1.00 0.00 O ATOM 0 H SER A 71 1.870 6.915 -3.669 1.00 0.00 H new ATOM 0 HA SER A 71 2.619 7.103 -6.396 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.824 6.489 -4.016 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.546 4.866 -4.618 1.00 0.00 H new ATOM 0 HG SER A 71 5.606 5.690 -5.236 1.00 0.00 H new ATOM 709 N MET A 72 0.422 4.890 -5.911 1.00 0.00 N ATOM 710 CA MET A 72 -0.462 3.941 -6.577 1.00 0.00 C ATOM 711 C MET A 72 -1.719 4.642 -7.101 1.00 0.00 C ATOM 712 O MET A 72 -2.511 4.037 -7.818 1.00 0.00 O ATOM 713 CB MET A 72 -0.862 2.819 -5.617 1.00 0.00 C ATOM 714 CG MET A 72 0.303 2.158 -4.884 1.00 0.00 C ATOM 715 SD MET A 72 -0.022 1.762 -3.159 1.00 0.00 S ATOM 716 CE MET A 72 1.709 1.479 -2.728 1.00 0.00 C ATOM 0 H MET A 72 -0.006 5.307 -5.084 1.00 0.00 H new ATOM 0 HA MET A 72 0.079 3.514 -7.421 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.556 3.221 -4.879 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.401 2.055 -6.178 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.572 1.241 -5.409 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.168 2.819 -4.934 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.870 1.734 -1.681 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.957 0.430 -2.888 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.347 2.102 -3.355 1.00 0.00 H new ATOM 726 N GLY A 73 -1.913 5.912 -6.746 1.00 0.00 N ATOM 727 CA GLY A 73 -2.915 6.784 -7.342 1.00 0.00 C ATOM 728 C GLY A 73 -4.070 7.117 -6.405 1.00 0.00 C ATOM 729 O GLY A 73 -5.071 7.664 -6.855 1.00 0.00 O ATOM 0 H GLY A 73 -1.363 6.370 -6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.436 7.711 -7.658 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.311 6.308 -8.239 1.00 0.00 H new ATOM 733 N LEU A 74 -3.991 6.808 -5.112 1.00 0.00 N ATOM 734 CA LEU A 74 -5.054 7.166 -4.169 1.00 0.00 C ATOM 735 C LEU A 74 -5.153 8.692 -3.997 1.00 0.00 C ATOM 736 O LEU A 74 -4.230 9.413 -4.378 1.00 0.00 O ATOM 737 CB LEU A 74 -4.780 6.411 -2.871 1.00 0.00 C ATOM 738 CG LEU A 74 -5.692 6.694 -1.656 1.00 0.00 C ATOM 739 CD1 LEU A 74 -7.018 5.933 -1.587 1.00 0.00 C ATOM 740 CD2 LEU A 74 -4.870 6.293 -0.465 1.00 0.00 C ATOM 0 H LEU A 74 -3.205 6.312 -4.692 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.035 6.871 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.836 5.344 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.753 6.622 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.991 7.740 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.559 6.225 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.620 6.170 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.821 4.861 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.444 6.462 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.611 5.237 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.958 6.889 -0.435 1.00 0.00 H new ATOM 752 N ASN A 75 -6.233 9.210 -3.406 1.00 0.00 N ATOM 753 CA ASN A 75 -6.378 10.566 -2.873 1.00 0.00 C ATOM 754 C ASN A 75 -6.429 10.499 -1.343 1.00 0.00 C ATOM 755 O ASN A 75 -7.487 10.242 -0.761 1.00 0.00 O ATOM 756 CB ASN A 75 -7.641 11.254 -3.431 1.00 0.00 C ATOM 757 CG ASN A 75 -7.662 12.759 -3.165 1.00 0.00 C ATOM 758 OD1 ASN A 75 -7.068 13.249 -2.214 1.00 0.00 O ATOM 759 ND2 ASN A 75 -8.308 13.540 -4.016 1.00 0.00 N ATOM 0 H ASN A 75 -7.082 8.659 -3.279 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.520 11.163 -3.184 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.700 11.079 -4.505 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.525 10.798 -2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.311 14.551 -3.879 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.803 13.131 -4.809 1.00 0.00 H new ATOM 766 N THR A 76 -5.299 10.685 -0.671 1.00 0.00 N ATOM 767 CA THR A 76 -5.181 10.862 0.778 1.00 0.00 C ATOM 768 C THR A 76 -6.045 12.014 1.306 1.00 0.00 C ATOM 769 O THR A 76 -6.525 11.941 2.433 1.00 0.00 O ATOM 770 CB THR A 76 -3.697 11.172 1.071 1.00 0.00 C ATOM 771 OG1 THR A 76 -3.285 12.250 0.259 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.706 10.048 0.757 1.00 0.00 C ATOM 0 H THR A 76 -4.394 10.719 -1.141 1.00 0.00 H new ATOM 0 HA THR A 76 -5.527 9.956 1.275 1.00 0.00 H new ATOM 0 HB THR A 76 -3.673 11.361 2.144 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.344 12.455 0.440 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.695 10.375 1.001 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.955 9.167 1.349 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.761 9.800 -0.303 1.00 0.00 H new ATOM 780 N ALA A 77 -6.296 13.053 0.507 1.00 0.00 N ATOM 781 CA ALA A 77 -7.113 14.198 0.881 1.00 0.00 C ATOM 782 C ALA A 77 -8.604 13.941 0.591 1.00 0.00 C ATOM 783 O ALA A 77 -9.380 14.898 0.519 1.00 0.00 O ATOM 784 CB ALA A 77 -6.569 15.464 0.206 1.00 0.00 C ATOM 0 H ALA A 77 -5.925 13.118 -0.441 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.050 14.354 1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.183 16.319 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.541 15.634 0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.596 15.339 -0.877 1.00 0.00 H new ATOM 790 N SER A 78 -9.010 12.682 0.410 1.00 0.00 N ATOM 791 CA SER A 78 -10.403 12.266 0.293 1.00 0.00 C ATOM 792 C SER A 78 -10.851 11.460 1.508 1.00 0.00 C ATOM 793 O SER A 78 -11.956 11.680 2.001 1.00 0.00 O ATOM 794 CB SER A 78 -10.606 11.533 -1.040 1.00 0.00 C ATOM 795 OG SER A 78 -10.463 12.481 -2.077 1.00 0.00 O ATOM 0 H SER A 78 -8.356 11.903 0.339 1.00 0.00 H new ATOM 0 HA SER A 78 -11.048 13.145 0.283 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.876 10.732 -1.151 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.593 11.072 -1.077 1.00 0.00 H new ATOM 0 HG SER A 78 -10.586 12.039 -2.943 1.00 0.00 H new ATOM 801 N VAL A 79 -10.006 10.589 2.052 1.00 0.00 N ATOM 802 CA VAL A 79 -10.280 9.952 3.324 1.00 0.00 C ATOM 803 C VAL A 79 -9.885 10.982 4.385 1.00 0.00 C ATOM 804 O VAL A 79 -8.782 11.529 4.330 1.00 0.00 O ATOM 805 CB VAL A 79 -9.527 8.620 3.425 1.00 0.00 C ATOM 806 CG1 VAL A 79 -9.892 7.673 2.275 1.00 0.00 C ATOM 807 CG2 VAL A 79 -8.023 8.758 3.588 1.00 0.00 C ATOM 0 H VAL A 79 -9.123 10.311 1.624 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.327 9.680 3.457 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.870 8.170 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.338 6.740 2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.962 7.465 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.636 8.140 1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.572 7.768 3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.611 9.290 2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.805 9.315 4.499 1.00 0.00 H new ATOM 817 N ALA A 80 -10.770 11.312 5.320 1.00 0.00 N ATOM 818 CA ALA A 80 -10.478 12.368 6.284 1.00 0.00 C ATOM 819 C ALA A 80 -9.223 12.038 7.085 1.00 0.00 C ATOM 820 O ALA A 80 -8.271 12.815 7.063 1.00 0.00 O ATOM 821 CB ALA A 80 -11.684 12.623 7.180 1.00 0.00 C ATOM 0 H ALA A 80 -11.683 10.871 5.431 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.276 13.292 5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.447 13.413 7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.533 12.928 6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -11.935 11.710 7.721 1.00 0.00 H new ATOM 827 N GLY A 81 -9.187 10.867 7.723 1.00 0.00 N ATOM 828 CA GLY A 81 -8.098 10.432 8.588 1.00 0.00 C ATOM 829 C GLY A 81 -6.712 10.641 7.998 1.00 0.00 C ATOM 830 O GLY A 81 -5.836 11.174 8.673 1.00 0.00 O ATOM 0 H GLY A 81 -9.936 10.179 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.163 10.970 9.534 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.229 9.374 8.814 1.00 0.00 H new ATOM 834 N MET A 82 -6.474 10.259 6.740 1.00 0.00 N ATOM 835 CA MET A 82 -5.152 10.397 6.157 1.00 0.00 C ATOM 836 C MET A 82 -4.666 11.832 5.988 1.00 0.00 C ATOM 837 O MET A 82 -3.469 12.055 5.807 1.00 0.00 O ATOM 838 CB MET A 82 -5.091 9.608 4.864 1.00 0.00 C ATOM 839 CG MET A 82 -3.649 9.241 4.557 1.00 0.00 C ATOM 840 SD MET A 82 -3.381 8.143 3.160 1.00 0.00 S ATOM 841 CE MET A 82 -4.675 6.922 3.391 1.00 0.00 C ATOM 0 H MET A 82 -7.176 9.857 6.118 1.00 0.00 H new ATOM 0 HA MET A 82 -4.446 9.980 6.876 1.00 0.00 H new ATOM 0 HB2 MET A 82 -5.696 8.705 4.948 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.509 10.197 4.047 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.093 10.162 4.379 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.219 8.776 5.444 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.415 6.010 2.853 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.780 6.700 4.453 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.617 7.313 3.007 1.00 0.00 H new ATOM 851 N ASN A 83 -5.538 12.827 6.112 1.00 0.00 N ATOM 852 CA ASN A 83 -5.084 14.207 6.167 1.00 0.00 C ATOM 853 C ASN A 83 -4.420 14.527 7.498 1.00 0.00 C ATOM 854 O ASN A 83 -3.595 15.438 7.577 1.00 0.00 O ATOM 855 CB ASN A 83 -6.265 15.166 6.033 1.00 0.00 C ATOM 856 CG ASN A 83 -6.893 15.193 4.662 1.00 0.00 C ATOM 857 OD1 ASN A 83 -6.569 16.067 3.859 1.00 0.00 O ATOM 858 ND2 ASN A 83 -7.813 14.280 4.410 1.00 0.00 N ATOM 0 H ASN A 83 -6.549 12.705 6.175 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.375 14.328 5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.026 14.890 6.763 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.931 16.172 6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.295 14.276 3.511 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.041 13.578 5.114 1.00 0.00 H new ATOM 865 N LEU A 84 -4.832 13.814 8.544 1.00 0.00 N ATOM 866 CA LEU A 84 -4.552 14.128 9.935 1.00 0.00 C ATOM 867 C LEU A 84 -3.197 13.571 10.347 1.00 0.00 C ATOM 868 O LEU A 84 -2.655 13.999 11.362 1.00 0.00 O ATOM 869 CB LEU A 84 -5.636 13.528 10.855 1.00 0.00 C ATOM 870 CG LEU A 84 -7.097 13.715 10.397 1.00 0.00 C ATOM 871 CD1 LEU A 84 -8.055 13.138 11.445 1.00 0.00 C ATOM 872 CD2 LEU A 84 -7.453 15.171 10.103 1.00 0.00 C ATOM 0 H LEU A 84 -5.392 12.968 8.437 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.547 15.213 10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.444 12.460 10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.528 13.970 11.845 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.203 13.172 9.458 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.084 13.275 11.112 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.854 12.075 11.575 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.909 13.653 12.394 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.494 15.234 9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.311 15.769 11.003 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.808 15.550 9.310 1.00 0.00 H new ATOM 884 N LEU A 85 -2.678 12.613 9.582 1.00 0.00 N ATOM 885 CA LEU A 85 -1.611 11.700 9.956 1.00 0.00 C ATOM 886 C LEU A 85 -0.355 11.951 9.110 1.00 0.00 C ATOM 887 O LEU A 85 -0.405 12.711 8.139 1.00 0.00 O ATOM 888 CB LEU A 85 -2.226 10.293 10.020 1.00 0.00 C ATOM 889 CG LEU A 85 -2.524 9.678 8.658 1.00 0.00 C ATOM 890 CD1 LEU A 85 -1.280 8.961 8.183 1.00 0.00 C ATOM 891 CD2 LEU A 85 -3.634 8.639 8.720 1.00 0.00 C ATOM 0 H LEU A 85 -3.012 12.448 8.633 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.200 11.861 10.953 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.546 9.636 10.562 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.151 10.339 10.595 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.833 10.485 7.993 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.469 8.512 7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.459 9.673 8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.015 8.181 8.897 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.807 8.232 7.724 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.342 7.835 9.395 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.549 9.105 9.085 1.00 0.00 H new ATOM 903 N ALA A 86 0.796 11.415 9.524 1.00 0.00 N ATOM 904 CA ALA A 86 2.095 11.657 8.905 1.00 0.00 C ATOM 905 C ALA A 86 2.312 10.839 7.640 1.00 0.00 C ATOM 906 O ALA A 86 1.683 9.823 7.378 1.00 0.00 O ATOM 907 CB ALA A 86 3.184 11.342 9.935 1.00 0.00 C ATOM 0 H ALA A 86 0.848 10.783 10.323 1.00 0.00 H new ATOM 0 HA ALA A 86 2.137 12.702 8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.165 11.516 9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.059 11.986 10.805 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.104 10.299 10.241 1.00 0.00 H new ATOM 913 N ASP A 87 3.243 11.315 6.830 1.00 0.00 N ATOM 914 CA ASP A 87 3.388 10.921 5.437 1.00 0.00 C ATOM 915 C ASP A 87 4.041 9.566 5.283 1.00 0.00 C ATOM 916 O ASP A 87 3.734 8.820 4.353 1.00 0.00 O ATOM 917 CB ASP A 87 4.152 11.959 4.611 1.00 0.00 C ATOM 918 CG ASP A 87 4.354 13.354 5.191 1.00 0.00 C ATOM 919 OD1 ASP A 87 5.351 14.020 4.853 1.00 0.00 O ATOM 920 OD2 ASP A 87 3.424 13.838 5.876 1.00 0.00 O ATOM 0 H ASP A 87 3.935 12.002 7.129 1.00 0.00 H new ATOM 0 HA ASP A 87 2.371 10.857 5.050 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.137 11.547 4.392 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.634 12.069 3.658 1.00 0.00 H new ATOM 926 N ASP A 88 4.889 9.269 6.250 1.00 0.00 N ATOM 927 CA ASP A 88 5.560 8.006 6.505 1.00 0.00 C ATOM 928 C ASP A 88 5.012 7.432 7.823 1.00 0.00 C ATOM 929 O ASP A 88 5.711 6.841 8.647 1.00 0.00 O ATOM 930 CB ASP A 88 7.063 8.289 6.500 1.00 0.00 C ATOM 931 CG ASP A 88 7.902 7.084 6.910 1.00 0.00 C ATOM 932 OD1 ASP A 88 8.758 7.264 7.810 1.00 0.00 O ATOM 933 OD2 ASP A 88 7.682 5.994 6.340 1.00 0.00 O ATOM 0 H ASP A 88 5.150 9.971 6.942 1.00 0.00 H new ATOM 0 HA ASP A 88 5.376 7.244 5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.363 8.610 5.502 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.273 9.117 7.177 1.00 0.00 H new ATOM 939 N ALA A 89 3.705 7.591 8.033 1.00 0.00 N ATOM 940 CA ALA A 89 2.941 6.735 8.924 1.00 0.00 C ATOM 941 C ALA A 89 2.480 5.527 8.120 1.00 0.00 C ATOM 942 O ALA A 89 2.180 5.647 6.932 1.00 0.00 O ATOM 943 CB ALA A 89 1.697 7.462 9.413 1.00 0.00 C ATOM 0 H ALA A 89 3.150 8.321 7.586 1.00 0.00 H new ATOM 0 HA ALA A 89 3.559 6.451 9.776 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.133 6.810 10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.990 8.364 9.950 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.075 7.734 8.560 1.00 0.00 H new ATOM 949 N CYS A 90 2.336 4.391 8.790 1.00 0.00 N ATOM 950 CA CYS A 90 1.614 3.244 8.286 1.00 0.00 C ATOM 951 C CYS A 90 0.125 3.591 8.328 1.00 0.00 C ATOM 952 O CYS A 90 -0.410 3.897 9.401 1.00 0.00 O ATOM 953 CB CYS A 90 1.948 2.049 9.179 1.00 0.00 C ATOM 954 SG CYS A 90 1.246 0.475 8.646 1.00 0.00 S ATOM 0 H CYS A 90 2.729 4.244 9.720 1.00 0.00 H new ATOM 0 HA CYS A 90 1.887 2.990 7.262 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.032 1.946 9.232 1.00 0.00 H new ATOM 0 HB3 CYS A 90 1.598 2.261 10.189 1.00 0.00 H new ATOM 0 HG CYS A 90 1.598 -0.461 9.477 1.00 0.00 H new ATOM 960 N VAL A 91 -0.551 3.587 7.179 1.00 0.00 N ATOM 961 CA VAL A 91 -1.963 3.880 7.049 1.00 0.00 C ATOM 962 C VAL A 91 -2.598 2.595 6.484 1.00 0.00 C ATOM 963 O VAL A 91 -2.001 1.958 5.608 1.00 0.00 O ATOM 964 CB VAL A 91 -2.137 5.159 6.189 1.00 0.00 C ATOM 965 CG1 VAL A 91 -0.960 6.146 6.261 1.00 0.00 C ATOM 966 CG2 VAL A 91 -2.466 4.940 4.745 1.00 0.00 C ATOM 0 H VAL A 91 -0.107 3.371 6.286 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.470 4.118 7.984 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.011 5.596 6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.170 7.009 5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.824 6.475 7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.051 5.654 5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.564 5.903 4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.669 4.365 4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.405 4.392 4.665 1.00 0.00 H new ATOM 976 N PRO A 92 -3.757 2.144 6.977 1.00 0.00 N ATOM 977 CA PRO A 92 -4.414 0.969 6.418 1.00 0.00 C ATOM 978 C PRO A 92 -5.112 1.304 5.111 1.00 0.00 C ATOM 979 O PRO A 92 -5.354 2.479 4.829 1.00 0.00 O ATOM 980 CB PRO A 92 -5.454 0.558 7.433 1.00 0.00 C ATOM 981 CG PRO A 92 -5.799 1.861 8.155 1.00 0.00 C ATOM 982 CD PRO A 92 -4.542 2.726 8.052 1.00 0.00 C ATOM 0 HA PRO A 92 -3.687 0.183 6.215 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.331 0.123 6.953 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.065 -0.190 8.123 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.654 2.353 7.691 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.064 1.675 9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.796 3.763 7.835 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.986 2.724 8.990 1.00 0.00 H new ATOM 990 N LEU A 93 -5.536 0.277 4.374 1.00 0.00 N ATOM 991 CA LEU A 93 -6.216 0.444 3.102 1.00 0.00 C ATOM 992 C LEU A 93 -7.646 -0.066 3.161 1.00 0.00 C ATOM 993 O LEU A 93 -8.548 0.701 2.863 1.00 0.00 O ATOM 994 CB LEU A 93 -5.371 -0.197 1.989 1.00 0.00 C ATOM 995 CG LEU A 93 -5.839 0.091 0.554 1.00 0.00 C ATOM 996 CD1 LEU A 93 -6.083 1.578 0.300 1.00 0.00 C ATOM 997 CD2 LEU A 93 -4.748 -0.354 -0.419 1.00 0.00 C ATOM 0 H LEU A 93 -5.414 -0.697 4.650 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.310 1.505 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.342 0.148 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.362 -1.276 2.140 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.776 -0.448 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.412 1.722 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.852 1.942 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.159 2.132 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.069 -0.155 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.830 0.196 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.566 -1.422 -0.298 1.00 0.00 H new ATOM 1009 N THR A 94 -7.897 -1.276 3.656 1.00 0.00 N ATOM 1010 CA THR A 94 -9.268 -1.797 3.750 1.00 0.00 C ATOM 1011 C THR A 94 -10.059 -1.194 4.929 1.00 0.00 C ATOM 1012 O THR A 94 -11.142 -1.667 5.283 1.00 0.00 O ATOM 1013 CB THR A 94 -9.214 -3.337 3.660 1.00 0.00 C ATOM 1014 OG1 THR A 94 -10.380 -3.874 3.077 1.00 0.00 O ATOM 1015 CG2 THR A 94 -8.926 -4.056 4.983 1.00 0.00 C ATOM 0 H THR A 94 -7.178 -1.914 3.997 1.00 0.00 H new ATOM 0 HA THR A 94 -9.868 -1.464 2.903 1.00 0.00 H new ATOM 0 HB THR A 94 -8.356 -3.525 3.014 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.559 -3.420 2.227 1.00 0.00 H new ATOM 0 HG21 THR A 94 -8.908 -5.133 4.816 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.959 -3.733 5.370 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.705 -3.814 5.706 1.00 0.00 H new ATOM 1023 N THR A 95 -9.514 -0.137 5.536 1.00 0.00 N ATOM 1024 CA THR A 95 -9.915 0.374 6.832 1.00 0.00 C ATOM 1025 C THR A 95 -9.964 1.906 6.836 1.00 0.00 C ATOM 1026 O THR A 95 -10.858 2.474 7.451 1.00 0.00 O ATOM 1027 CB THR A 95 -8.908 -0.116 7.879 1.00 0.00 C ATOM 1028 OG1 THR A 95 -8.381 -1.401 7.589 1.00 0.00 O ATOM 1029 CG2 THR A 95 -9.441 -0.099 9.304 1.00 0.00 C ATOM 0 H THR A 95 -8.755 0.400 5.117 1.00 0.00 H new ATOM 0 HA THR A 95 -10.916 0.010 7.063 1.00 0.00 H new ATOM 0 HB THR A 95 -8.101 0.614 7.816 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.745 -1.659 8.289 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.670 -0.459 9.985 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.719 0.919 9.576 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.317 -0.745 9.373 1.00 0.00 H new ATOM 1037 N MET A 96 -9.016 2.616 6.206 1.00 0.00 N ATOM 1038 CA MET A 96 -9.087 4.074 6.153 1.00 0.00 C ATOM 1039 C MET A 96 -10.129 4.471 5.106 1.00 0.00 C ATOM 1040 O MET A 96 -11.005 5.299 5.365 1.00 0.00 O ATOM 1041 CB MET A 96 -7.700 4.659 5.840 1.00 0.00 C ATOM 1042 CG MET A 96 -7.723 6.188 5.781 1.00 0.00 C ATOM 1043 SD MET A 96 -8.200 7.060 7.299 1.00 0.00 S ATOM 1044 CE MET A 96 -6.672 6.915 8.266 1.00 0.00 C ATOM 0 H MET A 96 -8.208 2.209 5.736 1.00 0.00 H new ATOM 0 HA MET A 96 -9.392 4.480 7.118 1.00 0.00 H new ATOM 0 HB2 MET A 96 -6.990 4.336 6.602 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.347 4.265 4.887 1.00 0.00 H new ATOM 0 HG2 MET A 96 -6.730 6.531 5.490 1.00 0.00 H new ATOM 0 HG3 MET A 96 -8.409 6.487 4.988 1.00 0.00 H new ATOM 0 HE1 MET A 96 -6.662 7.675 9.047 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.622 5.926 8.721 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.812 7.057 7.611 1.00 0.00 H new ATOM 1054 N VAL A 97 -10.018 3.868 3.927 1.00 0.00 N ATOM 1055 CA VAL A 97 -10.892 4.050 2.775 1.00 0.00 C ATOM 1056 C VAL A 97 -11.986 2.976 2.792 1.00 0.00 C ATOM 1057 O VAL A 97 -11.831 1.897 3.372 1.00 0.00 O ATOM 1058 CB VAL A 97 -10.052 4.108 1.461 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -8.558 3.858 1.646 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -10.648 3.410 0.244 1.00 0.00 C ATOM 0 H VAL A 97 -9.271 3.199 3.740 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.408 5.009 2.824 1.00 0.00 H new ATOM 0 HB VAL A 97 -10.132 5.163 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.057 3.918 0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.144 4.610 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.405 2.867 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.973 3.520 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.786 2.351 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.611 3.859 0.002 1.00 0.00 H new ATOM 1070 N GLN A 98 -13.093 3.292 2.129 1.00 0.00 N ATOM 1071 CA GLN A 98 -14.191 2.413 1.788 1.00 0.00 C ATOM 1072 C GLN A 98 -13.883 1.631 0.515 1.00 0.00 C ATOM 1073 O GLN A 98 -13.439 2.219 -0.472 1.00 0.00 O ATOM 1074 CB GLN A 98 -15.414 3.318 1.599 1.00 0.00 C ATOM 1075 CG GLN A 98 -16.628 2.652 0.947 1.00 0.00 C ATOM 1076 CD GLN A 98 -16.974 3.197 -0.439 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -18.129 3.539 -0.696 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -16.028 3.272 -1.368 1.00 0.00 N ATOM 0 H GLN A 98 -13.252 4.242 1.794 1.00 0.00 H new ATOM 0 HA GLN A 98 -14.367 1.673 2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -15.713 3.705 2.573 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.121 4.175 0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.442 1.581 0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.491 2.778 1.600 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -15.074 2.987 -1.148 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -16.256 3.615 -2.301 1.00 0.00 H new ATOM 1087 N ASP A 99 -14.213 0.338 0.508 1.00 0.00 N ATOM 1088 CA ASP A 99 -14.259 -0.608 -0.622 1.00 0.00 C ATOM 1089 C ASP A 99 -12.878 -1.129 -1.008 1.00 0.00 C ATOM 1090 O ASP A 99 -12.769 -2.194 -1.616 1.00 0.00 O ATOM 1091 CB ASP A 99 -14.947 -0.006 -1.865 1.00 0.00 C ATOM 1092 CG ASP A 99 -15.344 -1.034 -2.929 1.00 0.00 C ATOM 1093 OD1 ASP A 99 -15.589 -2.211 -2.583 1.00 0.00 O ATOM 1094 OD2 ASP A 99 -15.507 -0.641 -4.109 1.00 0.00 O ATOM 0 H ASP A 99 -14.482 -0.124 1.377 1.00 0.00 H new ATOM 0 HA ASP A 99 -14.856 -1.448 -0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -15.840 0.532 -1.546 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -14.278 0.726 -2.317 1.00 0.00 H new ATOM 1100 N ALA A 100 -11.823 -0.394 -0.648 1.00 0.00 N ATOM 1101 CA ALA A 100 -10.455 -0.734 -1.004 1.00 0.00 C ATOM 1102 C ALA A 100 -9.974 -1.987 -0.281 1.00 0.00 C ATOM 1103 O ALA A 100 -10.462 -2.338 0.795 1.00 0.00 O ATOM 1104 CB ALA A 100 -9.523 0.449 -0.701 1.00 0.00 C ATOM 0 H ALA A 100 -11.902 0.460 -0.096 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.433 -0.946 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.500 0.185 -0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.838 1.318 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.568 0.685 0.362 1.00 0.00 H new ATOM 1110 N THR A 101 -8.981 -2.647 -0.873 1.00 0.00 N ATOM 1111 CA THR A 101 -8.499 -3.955 -0.441 1.00 0.00 C ATOM 1112 C THR A 101 -6.980 -4.037 -0.617 1.00 0.00 C ATOM 1113 O THR A 101 -6.390 -3.215 -1.327 1.00 0.00 O ATOM 1114 CB THR A 101 -9.253 -5.064 -1.205 1.00 0.00 C ATOM 1115 OG1 THR A 101 -9.011 -5.025 -2.596 1.00 0.00 O ATOM 1116 CG2 THR A 101 -10.770 -4.984 -1.025 1.00 0.00 C ATOM 0 H THR A 101 -8.480 -2.280 -1.682 1.00 0.00 H new ATOM 0 HA THR A 101 -8.702 -4.100 0.620 1.00 0.00 H new ATOM 0 HB THR A 101 -8.869 -5.989 -0.774 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.508 -5.747 -3.035 1.00 0.00 H new ATOM 0 HG21 THR A 101 -11.246 -5.789 -1.585 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.017 -5.083 0.032 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.130 -4.023 -1.394 1.00 0.00 H new ATOM 1124 N ALA A 102 -6.338 -5.008 0.050 1.00 0.00 N ATOM 1125 CA ALA A 102 -4.901 -5.232 -0.048 1.00 0.00 C ATOM 1126 C ALA A 102 -4.580 -6.713 0.132 1.00 0.00 C ATOM 1127 O ALA A 102 -4.230 -7.173 1.224 1.00 0.00 O ATOM 1128 CB ALA A 102 -4.156 -4.356 0.960 1.00 0.00 C ATOM 0 H ALA A 102 -6.811 -5.661 0.675 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.561 -4.945 -1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.084 -4.534 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.367 -3.306 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.486 -4.602 1.969 1.00 0.00 H new ATOM 1134 N HIS A 103 -4.801 -7.471 -0.928 1.00 0.00 N ATOM 1135 CA HIS A 103 -4.531 -8.888 -1.053 1.00 0.00 C ATOM 1136 C HIS A 103 -3.052 -9.098 -1.343 1.00 0.00 C ATOM 1137 O HIS A 103 -2.375 -8.251 -1.923 1.00 0.00 O ATOM 1138 CB HIS A 103 -5.432 -9.385 -2.202 1.00 0.00 C ATOM 1139 CG HIS A 103 -5.295 -10.832 -2.591 1.00 0.00 C ATOM 1140 ND1 HIS A 103 -6.288 -11.778 -2.489 1.00 0.00 N ATOM 1141 CD2 HIS A 103 -4.217 -11.424 -3.195 1.00 0.00 C ATOM 1142 CE1 HIS A 103 -5.796 -12.923 -2.981 1.00 0.00 C ATOM 1143 NE2 HIS A 103 -4.535 -12.765 -3.401 1.00 0.00 N ATOM 0 H HIS A 103 -5.202 -7.083 -1.782 1.00 0.00 H new ATOM 0 HA HIS A 103 -4.747 -9.445 -0.141 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.470 -9.205 -1.923 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.228 -8.775 -3.082 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.290 -10.940 -3.463 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -6.345 -13.852 -3.032 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.927 -13.484 -3.794 1.00 0.00 H new ATOM 1152 N LEU A 104 -2.568 -10.280 -0.986 1.00 0.00 N ATOM 1153 CA LEU A 104 -1.199 -10.709 -1.152 1.00 0.00 C ATOM 1154 C LEU A 104 -1.218 -12.037 -1.877 1.00 0.00 C ATOM 1155 O LEU A 104 -1.757 -13.024 -1.377 1.00 0.00 O ATOM 1156 CB LEU A 104 -0.579 -10.834 0.251 1.00 0.00 C ATOM 1157 CG LEU A 104 0.549 -11.870 0.358 1.00 0.00 C ATOM 1158 CD1 LEU A 104 1.716 -11.542 -0.546 1.00 0.00 C ATOM 1159 CD2 LEU A 104 1.120 -11.870 1.753 1.00 0.00 C ATOM 0 H LEU A 104 -3.153 -10.995 -0.553 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.605 -10.005 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.191 -9.861 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.365 -11.096 0.960 1.00 0.00 H new ATOM 0 HG LEU A 104 0.103 -12.826 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.488 -12.304 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.378 -11.517 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.125 -10.569 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.919 -12.608 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.519 -10.882 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.336 -12.120 2.467 1.00 0.00 H new ATOM 1171 N ASP A 105 -0.570 -12.062 -3.031 1.00 0.00 N ATOM 1172 CA ASP A 105 -0.091 -13.270 -3.666 1.00 0.00 C ATOM 1173 C ASP A 105 1.313 -13.539 -3.174 1.00 0.00 C ATOM 1174 O ASP A 105 2.278 -12.936 -3.643 1.00 0.00 O ATOM 1175 CB ASP A 105 -0.024 -13.079 -5.170 1.00 0.00 C ATOM 1176 CG ASP A 105 -1.350 -12.947 -5.872 1.00 0.00 C ATOM 1177 OD1 ASP A 105 -1.400 -12.084 -6.771 1.00 0.00 O ATOM 1178 OD2 ASP A 105 -2.314 -13.666 -5.558 1.00 0.00 O ATOM 0 H ASP A 105 -0.359 -11.217 -3.563 1.00 0.00 H new ATOM 0 HA ASP A 105 -0.765 -14.093 -3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 105 0.567 -12.187 -5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.512 -13.924 -5.601 1.00 0.00 H new ATOM 1184 N VAL A 106 1.461 -14.458 -2.232 1.00 0.00 N ATOM 1185 CA VAL A 106 2.787 -14.989 -1.958 1.00 0.00 C ATOM 1186 C VAL A 106 3.184 -15.937 -3.091 1.00 0.00 C ATOM 1187 O VAL A 106 4.357 -15.996 -3.444 1.00 0.00 O ATOM 1188 CB VAL A 106 2.775 -15.611 -0.561 1.00 0.00 C ATOM 1189 CG1 VAL A 106 2.102 -16.979 -0.483 1.00 0.00 C ATOM 1190 CG2 VAL A 106 4.193 -15.718 0.012 1.00 0.00 C ATOM 0 H VAL A 106 0.707 -14.841 -1.661 1.00 0.00 H new ATOM 0 HA VAL A 106 3.557 -14.218 -1.940 1.00 0.00 H new ATOM 0 HB VAL A 106 2.173 -14.927 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.139 -17.345 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.063 -16.892 -0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.623 -17.679 -1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.151 -16.164 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.803 -16.343 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.634 -14.724 0.079 1.00 0.00 H new ATOM 1200 N GLY A 107 2.205 -16.603 -3.726 1.00 0.00 N ATOM 1201 CA GLY A 107 2.462 -17.640 -4.704 1.00 0.00 C ATOM 1202 C GLY A 107 3.156 -17.101 -5.945 1.00 0.00 C ATOM 1203 O GLY A 107 3.881 -17.846 -6.603 1.00 0.00 O ATOM 0 H GLY A 107 1.213 -16.426 -3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.079 -18.417 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.520 -18.108 -4.991 1.00 0.00 H new ATOM 1207 N GLN A 108 2.966 -15.816 -6.244 1.00 0.00 N ATOM 1208 CA GLN A 108 3.571 -15.113 -7.365 1.00 0.00 C ATOM 1209 C GLN A 108 4.174 -13.785 -6.903 1.00 0.00 C ATOM 1210 O GLN A 108 4.265 -12.855 -7.700 1.00 0.00 O ATOM 1211 CB GLN A 108 2.534 -14.926 -8.479 1.00 0.00 C ATOM 1212 CG GLN A 108 2.048 -16.282 -9.025 1.00 0.00 C ATOM 1213 CD GLN A 108 1.785 -16.279 -10.530 1.00 0.00 C ATOM 1214 OE1 GLN A 108 2.631 -15.907 -11.341 1.00 0.00 O ATOM 1215 NE2 GLN A 108 0.619 -16.740 -10.944 1.00 0.00 N ATOM 0 H GLN A 108 2.360 -15.215 -5.685 1.00 0.00 H new ATOM 0 HA GLN A 108 4.390 -15.707 -7.771 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.685 -14.360 -8.097 1.00 0.00 H new ATOM 0 HB3 GLN A 108 2.969 -14.340 -9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 108 2.793 -17.044 -8.797 1.00 0.00 H new ATOM 0 HG3 GLN A 108 1.133 -16.566 -8.506 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -0.078 -17.047 -10.266 1.00 0.00 H new ATOM 0 HE22 GLN A 108 0.415 -16.789 -11.942 1.00 0.00 H new ATOM 1224 N GLN A 109 4.555 -13.708 -5.621 1.00 0.00 N ATOM 1225 CA GLN A 109 5.253 -12.587 -5.001 1.00 0.00 C ATOM 1226 C GLN A 109 4.742 -11.243 -5.532 1.00 0.00 C ATOM 1227 O GLN A 109 5.444 -10.527 -6.249 1.00 0.00 O ATOM 1228 CB GLN A 109 6.768 -12.810 -5.166 1.00 0.00 C ATOM 1229 CG GLN A 109 7.226 -13.956 -4.261 1.00 0.00 C ATOM 1230 CD GLN A 109 8.730 -14.194 -4.339 1.00 0.00 C ATOM 1231 OE1 GLN A 109 9.249 -14.675 -5.343 1.00 0.00 O ATOM 1232 NE2 GLN A 109 9.467 -13.855 -3.294 1.00 0.00 N ATOM 0 H GLN A 109 4.374 -14.465 -4.961 1.00 0.00 H new ATOM 0 HA GLN A 109 5.044 -12.543 -3.932 1.00 0.00 H new ATOM 0 HB2 GLN A 109 7.000 -13.041 -6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.309 -11.898 -4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.949 -13.734 -3.230 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.701 -14.869 -4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 109 9.025 -13.456 -2.466 1.00 0.00 H new ATOM 0 HE22 GLN A 109 10.477 -13.992 -3.317 1.00 0.00 H new ATOM 1241 N ARG A 110 3.502 -10.900 -5.169 1.00 0.00 N ATOM 1242 CA ARG A 110 2.823 -9.709 -5.684 1.00 0.00 C ATOM 1243 C ARG A 110 2.047 -9.073 -4.547 1.00 0.00 C ATOM 1244 O ARG A 110 1.860 -9.678 -3.485 1.00 0.00 O ATOM 1245 CB ARG A 110 2.022 -10.103 -6.950 1.00 0.00 C ATOM 1246 CG ARG A 110 1.280 -8.998 -7.721 1.00 0.00 C ATOM 1247 CD ARG A 110 0.674 -9.536 -9.034 1.00 0.00 C ATOM 1248 NE ARG A 110 -0.456 -10.450 -8.827 1.00 0.00 N ATOM 1249 CZ ARG A 110 -1.313 -10.914 -9.746 1.00 0.00 C ATOM 1250 NH1 ARG A 110 -1.238 -10.601 -11.034 1.00 0.00 N ATOM 1251 NH2 ARG A 110 -2.295 -11.696 -9.321 1.00 0.00 N ATOM 0 H ARG A 110 2.942 -11.441 -4.510 1.00 0.00 H new ATOM 0 HA ARG A 110 3.503 -8.929 -6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.712 -10.585 -7.643 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.288 -10.854 -6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.488 -8.585 -7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.968 -8.183 -7.944 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.344 -8.695 -9.644 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.450 -10.053 -9.598 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.606 -10.770 -7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.501 -9.979 -11.366 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.917 -10.983 -11.692 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.375 -11.921 -8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.971 -12.072 -9.985 1.00 0.00 H new ATOM 1265 N LEU A 111 1.640 -7.822 -4.736 1.00 0.00 N ATOM 1266 CA LEU A 111 0.737 -7.141 -3.829 1.00 0.00 C ATOM 1267 C LEU A 111 -0.440 -6.639 -4.650 1.00 0.00 C ATOM 1268 O LEU A 111 -0.229 -5.796 -5.505 1.00 0.00 O ATOM 1269 CB LEU A 111 1.462 -6.034 -3.051 1.00 0.00 C ATOM 1270 CG LEU A 111 0.508 -5.387 -2.039 1.00 0.00 C ATOM 1271 CD1 LEU A 111 0.212 -6.303 -0.859 1.00 0.00 C ATOM 1272 CD2 LEU A 111 1.126 -4.066 -1.562 1.00 0.00 C ATOM 0 H LEU A 111 1.932 -7.252 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 111 0.363 -7.819 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.326 -6.450 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.837 -5.279 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.447 -5.200 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.467 -5.801 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.250 -7.222 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.141 -6.542 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.460 -3.592 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.089 -4.264 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.269 -3.402 -2.415 1.00 0.00 H new ATOM 1284 N ASN A 112 -1.639 -7.187 -4.457 1.00 0.00 N ATOM 1285 CA ASN A 112 -2.856 -6.884 -5.208 1.00 0.00 C ATOM 1286 C ASN A 112 -3.699 -5.913 -4.390 1.00 0.00 C ATOM 1287 O ASN A 112 -4.252 -6.293 -3.360 1.00 0.00 O ATOM 1288 CB ASN A 112 -3.671 -8.168 -5.463 1.00 0.00 C ATOM 1289 CG ASN A 112 -3.538 -8.697 -6.886 1.00 0.00 C ATOM 1290 OD1 ASN A 112 -3.717 -7.976 -7.861 1.00 0.00 O ATOM 1291 ND2 ASN A 112 -3.191 -9.960 -7.055 1.00 0.00 N ATOM 0 H ASN A 112 -1.795 -7.891 -3.735 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.585 -6.447 -6.169 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -3.347 -8.940 -4.765 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -4.722 -7.970 -5.254 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.072 -10.335 -7.996 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.042 -10.561 -6.244 1.00 0.00 H new ATOM 1298 N LEU A 113 -3.786 -4.660 -4.816 1.00 0.00 N ATOM 1299 CA LEU A 113 -4.577 -3.620 -4.180 1.00 0.00 C ATOM 1300 C LEU A 113 -5.746 -3.237 -5.095 1.00 0.00 C ATOM 1301 O LEU A 113 -5.617 -3.287 -6.324 1.00 0.00 O ATOM 1302 CB LEU A 113 -3.668 -2.409 -3.895 1.00 0.00 C ATOM 1303 CG LEU A 113 -2.332 -2.734 -3.188 1.00 0.00 C ATOM 1304 CD1 LEU A 113 -1.498 -1.472 -2.978 1.00 0.00 C ATOM 1305 CD2 LEU A 113 -2.559 -3.412 -1.842 1.00 0.00 C ATOM 0 H LEU A 113 -3.289 -4.330 -5.644 1.00 0.00 H new ATOM 0 HA LEU A 113 -4.990 -3.976 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.448 -1.911 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.221 -1.698 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.791 -3.419 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.564 -1.732 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.279 -1.016 -3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.055 -0.766 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.597 -3.625 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.138 -2.753 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.104 -4.344 -1.991 1.00 0.00 H new ATOM 1317 N THR A 114 -6.854 -2.765 -4.528 1.00 0.00 N ATOM 1318 CA THR A 114 -7.968 -2.160 -5.262 1.00 0.00 C ATOM 1319 C THR A 114 -8.395 -0.918 -4.505 1.00 0.00 C ATOM 1320 O THR A 114 -8.364 -0.928 -3.275 1.00 0.00 O ATOM 1321 CB THR A 114 -9.150 -3.130 -5.363 1.00 0.00 C ATOM 1322 OG1 THR A 114 -8.775 -4.251 -6.135 1.00 0.00 O ATOM 1323 CG2 THR A 114 -10.409 -2.536 -6.008 1.00 0.00 C ATOM 0 H THR A 114 -7.008 -2.792 -3.520 1.00 0.00 H new ATOM 0 HA THR A 114 -7.651 -1.914 -6.275 1.00 0.00 H new ATOM 0 HB THR A 114 -9.397 -3.388 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.530 -4.872 -6.198 1.00 0.00 H new ATOM 0 HG21 THR A 114 -11.194 -3.292 -6.038 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.750 -1.682 -5.422 1.00 0.00 H new ATOM 0 HG23 THR A 114 -10.179 -2.211 -7.023 1.00 0.00 H new ATOM 1331 N ILE A 115 -8.784 0.134 -5.229 1.00 0.00 N ATOM 1332 CA ILE A 115 -9.281 1.397 -4.694 1.00 0.00 C ATOM 1333 C ILE A 115 -10.347 1.939 -5.644 1.00 0.00 C ATOM 1334 O ILE A 115 -10.120 1.960 -6.858 1.00 0.00 O ATOM 1335 CB ILE A 115 -8.101 2.380 -4.543 1.00 0.00 C ATOM 1336 CG1 ILE A 115 -7.085 1.817 -3.534 1.00 0.00 C ATOM 1337 CG2 ILE A 115 -8.546 3.778 -4.096 1.00 0.00 C ATOM 1338 CD1 ILE A 115 -5.906 2.730 -3.233 1.00 0.00 C ATOM 0 H ILE A 115 -8.759 0.125 -6.249 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.731 1.258 -3.711 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.644 2.486 -5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.605 1.599 -2.601 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.704 0.870 -3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.674 4.426 -4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -9.233 4.194 -4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.047 3.709 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.246 2.247 -2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.356 2.929 -4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.270 3.670 -2.818 1.00 0.00 H new ATOM 1350 N PRO A 116 -11.489 2.410 -5.123 1.00 0.00 N ATOM 1351 CA PRO A 116 -12.511 3.025 -5.945 1.00 0.00 C ATOM 1352 C PRO A 116 -12.125 4.443 -6.374 1.00 0.00 C ATOM 1353 O PRO A 116 -11.370 5.138 -5.688 1.00 0.00 O ATOM 1354 CB PRO A 116 -13.755 3.001 -5.071 1.00 0.00 C ATOM 1355 CG PRO A 116 -13.210 3.175 -3.670 1.00 0.00 C ATOM 1356 CD PRO A 116 -11.898 2.402 -3.723 1.00 0.00 C ATOM 0 HA PRO A 116 -12.663 2.495 -6.885 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -14.446 3.802 -5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -14.300 2.063 -5.175 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -13.052 4.225 -3.425 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -13.888 2.771 -2.919 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -11.142 2.870 -3.092 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -12.030 1.383 -3.360 1.00 0.00 H new ATOM 1364 N GLN A 117 -12.725 4.926 -7.465 1.00 0.00 N ATOM 1365 CA GLN A 117 -12.511 6.274 -7.981 1.00 0.00 C ATOM 1366 C GLN A 117 -12.886 7.354 -6.969 1.00 0.00 C ATOM 1367 O GLN A 117 -12.409 8.482 -7.078 1.00 0.00 O ATOM 1368 CB GLN A 117 -13.310 6.455 -9.279 1.00 0.00 C ATOM 1369 CG GLN A 117 -12.744 5.643 -10.451 1.00 0.00 C ATOM 1370 CD GLN A 117 -11.259 5.922 -10.675 1.00 0.00 C ATOM 1371 OE1 GLN A 117 -10.859 7.006 -11.088 1.00 0.00 O ATOM 1372 NE2 GLN A 117 -10.412 4.974 -10.319 1.00 0.00 N ATOM 0 H GLN A 117 -13.383 4.380 -8.021 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.446 6.389 -8.180 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.345 6.160 -9.106 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.321 7.511 -9.548 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -12.888 4.580 -10.259 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -13.299 5.881 -11.359 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.762 4.079 -9.978 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.407 5.137 -10.385 1.00 0.00 H new ATOM 1381 N ALA A 118 -13.681 7.005 -5.955 1.00 0.00 N ATOM 1382 CA ALA A 118 -14.063 7.898 -4.874 1.00 0.00 C ATOM 1383 C ALA A 118 -12.861 8.516 -4.143 1.00 0.00 C ATOM 1384 O ALA A 118 -13.002 9.622 -3.615 1.00 0.00 O ATOM 1385 CB ALA A 118 -14.968 7.149 -3.891 1.00 0.00 C ATOM 0 H ALA A 118 -14.083 6.072 -5.867 1.00 0.00 H new ATOM 0 HA ALA A 118 -14.604 8.733 -5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -15.255 7.817 -3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -15.862 6.803 -4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -14.432 6.292 -3.483 1.00 0.00 H new ATOM 1391 N PHE A 119 -11.694 7.854 -4.131 1.00 0.00 N ATOM 1392 CA PHE A 119 -10.501 8.337 -3.441 1.00 0.00 C ATOM 1393 C PHE A 119 -9.263 8.193 -4.342 1.00 0.00 C ATOM 1394 O PHE A 119 -8.317 7.510 -3.966 1.00 0.00 O ATOM 1395 CB PHE A 119 -10.334 7.592 -2.096 1.00 0.00 C ATOM 1396 CG PHE A 119 -11.595 7.415 -1.265 1.00 0.00 C ATOM 1397 CD1 PHE A 119 -12.408 6.295 -1.487 1.00 0.00 C ATOM 1398 CD2 PHE A 119 -11.958 8.337 -0.267 1.00 0.00 C ATOM 1399 CE1 PHE A 119 -13.562 6.085 -0.720 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -13.138 8.158 0.477 1.00 0.00 C ATOM 1401 CZ PHE A 119 -13.939 7.024 0.251 1.00 0.00 C ATOM 0 H PHE A 119 -11.557 6.962 -4.606 1.00 0.00 H new ATOM 0 HA PHE A 119 -10.614 9.398 -3.220 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -9.917 6.606 -2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -9.601 8.130 -1.495 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -12.142 5.586 -2.257 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -11.325 9.190 -0.070 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -14.161 5.200 -0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -13.428 8.888 1.218 1.00 0.00 H new ATOM 0 HZ PHE A 119 -14.842 6.877 0.824 1.00 0.00 H new ATOM 1411 N MET A 120 -9.208 8.838 -5.511 1.00 0.00 N ATOM 1412 CA MET A 120 -8.099 8.675 -6.473 1.00 0.00 C ATOM 1413 C MET A 120 -7.434 10.014 -6.835 1.00 0.00 C ATOM 1414 O MET A 120 -8.113 10.891 -7.365 1.00 0.00 O ATOM 1415 CB MET A 120 -8.641 7.968 -7.730 1.00 0.00 C ATOM 1416 CG MET A 120 -8.460 6.450 -7.643 1.00 0.00 C ATOM 1417 SD MET A 120 -6.951 5.883 -8.473 1.00 0.00 S ATOM 1418 CE MET A 120 -6.555 4.440 -7.465 1.00 0.00 C ATOM 0 H MET A 120 -9.928 9.489 -5.823 1.00 0.00 H new ATOM 0 HA MET A 120 -7.321 8.069 -6.009 1.00 0.00 H new ATOM 0 HB2 MET A 120 -9.698 8.203 -7.853 1.00 0.00 H new ATOM 0 HB3 MET A 120 -8.125 8.347 -8.612 1.00 0.00 H new ATOM 0 HG2 MET A 120 -8.429 6.150 -6.595 1.00 0.00 H new ATOM 0 HG3 MET A 120 -9.324 5.958 -8.090 1.00 0.00 H new ATOM 0 HE1 MET A 120 -5.678 3.940 -7.875 1.00 0.00 H new ATOM 0 HE2 MET A 120 -6.348 4.756 -6.443 1.00 0.00 H new ATOM 0 HE3 MET A 120 -7.400 3.751 -7.468 1.00 0.00 H new ATOM 1428 N SER A 121 -6.146 10.237 -6.512 1.00 0.00 N ATOM 1429 CA SER A 121 -5.416 11.454 -6.910 1.00 0.00 C ATOM 1430 C SER A 121 -3.900 11.224 -7.090 1.00 0.00 C ATOM 1431 O SER A 121 -3.445 10.095 -7.276 1.00 0.00 O ATOM 1432 CB SER A 121 -5.743 12.576 -5.911 1.00 0.00 C ATOM 1433 OG SER A 121 -5.352 13.857 -6.352 1.00 0.00 O ATOM 0 H SER A 121 -5.584 9.581 -5.970 1.00 0.00 H new ATOM 0 HA SER A 121 -5.754 11.756 -7.901 1.00 0.00 H new ATOM 0 HB2 SER A 121 -6.816 12.579 -5.719 1.00 0.00 H new ATOM 0 HB3 SER A 121 -5.250 12.361 -4.963 1.00 0.00 H new ATOM 0 HG SER A 121 -6.017 14.202 -6.984 1.00 0.00 H new ATOM 1439 N ASN A 122 -3.124 12.317 -7.094 1.00 0.00 N ATOM 1440 CA ASN A 122 -1.679 12.371 -7.301 1.00 0.00 C ATOM 1441 C ASN A 122 -1.039 12.910 -6.024 1.00 0.00 C ATOM 1442 O ASN A 122 -0.519 12.128 -5.242 1.00 0.00 O ATOM 1443 CB ASN A 122 -1.329 13.211 -8.543 1.00 0.00 C ATOM 1444 CG ASN A 122 -1.795 12.546 -9.836 1.00 0.00 C ATOM 1445 OD1 ASN A 122 -1.586 11.354 -10.035 1.00 0.00 O ATOM 1446 ND2 ASN A 122 -2.422 13.289 -10.733 1.00 0.00 N ATOM 0 H ASN A 122 -3.520 13.245 -6.942 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.283 11.375 -7.499 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -1.789 14.195 -8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -0.251 13.366 -8.584 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -2.741 12.872 -11.608 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -2.587 14.279 -10.550 1.00 0.00 H new ATOM 1453 N ARG A 123 -1.184 14.212 -5.753 1.00 0.00 N ATOM 1454 CA ARG A 123 -0.905 14.941 -4.499 1.00 0.00 C ATOM 1455 C ARG A 123 -0.945 14.110 -3.198 1.00 0.00 C ATOM 1456 O ARG A 123 -1.948 14.139 -2.483 1.00 0.00 O ATOM 1457 CB ARG A 123 -1.905 16.120 -4.400 1.00 0.00 C ATOM 1458 CG ARG A 123 -3.345 15.692 -4.742 1.00 0.00 C ATOM 1459 CD ARG A 123 -4.433 16.612 -4.199 1.00 0.00 C ATOM 1460 NE ARG A 123 -5.711 16.270 -4.839 1.00 0.00 N ATOM 1461 CZ ARG A 123 -6.870 16.918 -4.725 1.00 0.00 C ATOM 1462 NH1 ARG A 123 -7.025 17.863 -3.812 1.00 0.00 N ATOM 1463 NH2 ARG A 123 -7.877 16.604 -5.527 1.00 0.00 N ATOM 0 H ARG A 123 -1.533 14.847 -6.471 1.00 0.00 H new ATOM 0 HA ARG A 123 0.133 15.267 -4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.880 16.532 -3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.594 16.916 -5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -3.444 15.636 -5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -3.512 14.687 -4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -4.513 16.504 -3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -4.179 17.653 -4.397 1.00 0.00 H new ATOM 0 HE ARG A 123 -5.711 15.444 -5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -6.254 18.101 -3.188 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -7.916 18.354 -3.732 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -7.762 15.870 -6.226 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -8.767 17.096 -5.445 1.00 0.00 H new ATOM 1477 N ALA A 124 0.161 13.465 -2.808 1.00 0.00 N ATOM 1478 CA ALA A 124 0.284 12.849 -1.482 1.00 0.00 C ATOM 1479 C ALA A 124 0.230 13.885 -0.352 1.00 0.00 C ATOM 1480 O ALA A 124 0.027 13.520 0.808 1.00 0.00 O ATOM 1481 CB ALA A 124 1.607 12.083 -1.367 1.00 0.00 C ATOM 0 H ALA A 124 0.988 13.356 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.563 12.171 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 124 1.682 11.633 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.642 11.301 -2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.440 12.770 -1.517 1.00 0.00 H new ATOM 1487 N ARG A 125 0.463 15.168 -0.673 1.00 0.00 N ATOM 1488 CA ARG A 125 0.670 16.316 0.210 1.00 0.00 C ATOM 1489 C ARG A 125 2.000 16.228 0.940 1.00 0.00 C ATOM 1490 O ARG A 125 2.786 17.172 0.852 1.00 0.00 O ATOM 1491 CB ARG A 125 -0.525 16.545 1.147 1.00 0.00 C ATOM 1492 CG ARG A 125 -1.638 17.329 0.438 1.00 0.00 C ATOM 1493 CD ARG A 125 -1.409 18.834 0.627 1.00 0.00 C ATOM 1494 NE ARG A 125 -1.690 19.240 2.016 1.00 0.00 N ATOM 1495 CZ ARG A 125 -2.907 19.295 2.569 1.00 0.00 C ATOM 1496 NH1 ARG A 125 -3.990 19.252 1.804 1.00 0.00 N ATOM 1497 NH2 ARG A 125 -3.045 19.380 3.883 1.00 0.00 N ATOM 0 H ARG A 125 0.515 15.449 -1.652 1.00 0.00 H new ATOM 0 HA ARG A 125 0.727 17.207 -0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -0.913 15.585 1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.198 17.091 2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.650 17.083 -0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.610 17.045 0.842 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.379 19.084 0.373 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.050 19.392 -0.056 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.895 19.499 2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.896 19.177 0.791 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -4.916 19.294 2.229 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.220 19.404 4.482 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -3.977 19.421 4.296 1.00 0.00 H new ATOM 1511 N GLY A 126 2.264 15.116 1.614 1.00 0.00 N ATOM 1512 CA GLY A 126 3.551 14.801 2.192 1.00 0.00 C ATOM 1513 C GLY A 126 4.265 13.847 1.250 1.00 0.00 C ATOM 1514 O GLY A 126 4.012 12.643 1.274 1.00 0.00 O ATOM 0 H GLY A 126 1.564 14.392 1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.138 15.708 2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.427 14.345 3.174 1.00 0.00 H new ATOM 1518 N TYR A 127 5.095 14.384 0.359 1.00 0.00 N ATOM 1519 CA TYR A 127 5.931 13.583 -0.521 1.00 0.00 C ATOM 1520 C TYR A 127 7.085 13.003 0.286 1.00 0.00 C ATOM 1521 O TYR A 127 7.864 13.743 0.896 1.00 0.00 O ATOM 1522 CB TYR A 127 6.414 14.440 -1.709 1.00 0.00 C ATOM 1523 CG TYR A 127 7.766 14.095 -2.320 1.00 0.00 C ATOM 1524 CD1 TYR A 127 8.130 12.761 -2.582 1.00 0.00 C ATOM 1525 CD2 TYR A 127 8.686 15.122 -2.604 1.00 0.00 C ATOM 1526 CE1 TYR A 127 9.422 12.449 -3.030 1.00 0.00 C ATOM 1527 CE2 TYR A 127 9.956 14.822 -3.127 1.00 0.00 C ATOM 1528 CZ TYR A 127 10.339 13.479 -3.328 1.00 0.00 C ATOM 1529 OH TYR A 127 11.570 13.195 -3.837 1.00 0.00 O ATOM 0 H TYR A 127 5.204 15.390 0.229 1.00 0.00 H new ATOM 0 HA TYR A 127 5.363 12.752 -0.939 1.00 0.00 H new ATOM 0 HB2 TYR A 127 5.663 14.377 -2.496 1.00 0.00 H new ATOM 0 HB3 TYR A 127 6.448 15.479 -1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.408 11.971 -2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 127 8.414 16.150 -2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 127 9.716 11.416 -3.147 1.00 0.00 H new ATOM 0 HE2 TYR A 127 10.639 15.621 -3.375 1.00 0.00 H new ATOM 0 HH TYR A 127 12.065 14.029 -3.981 1.00 0.00 H new ATOM 1539 N ILE A 128 7.213 11.679 0.213 1.00 0.00 N ATOM 1540 CA ILE A 128 8.351 10.899 0.669 1.00 0.00 C ATOM 1541 C ILE A 128 8.852 10.113 -0.540 1.00 0.00 C ATOM 1542 O ILE A 128 8.018 9.593 -1.294 1.00 0.00 O ATOM 1543 CB ILE A 128 7.905 10.022 1.862 1.00 0.00 C ATOM 1544 CG1 ILE A 128 7.633 10.939 3.064 1.00 0.00 C ATOM 1545 CG2 ILE A 128 8.797 8.826 2.244 1.00 0.00 C ATOM 1546 CD1 ILE A 128 8.885 11.603 3.638 1.00 0.00 C ATOM 0 H ILE A 128 6.481 11.094 -0.190 1.00 0.00 H new ATOM 0 HA ILE A 128 9.177 11.505 1.041 1.00 0.00 H new ATOM 0 HB ILE A 128 7.002 9.515 1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.929 11.715 2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 128 7.151 10.357 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 128 8.361 8.304 3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 128 8.871 8.142 1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 128 9.792 9.184 2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 128 8.608 12.233 4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 128 9.583 10.836 3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 128 9.358 12.214 2.869 1.00 0.00 H new ATOM 1558 N PRO A 129 10.168 10.058 -0.796 1.00 0.00 N ATOM 1559 CA PRO A 129 10.763 9.147 -1.762 1.00 0.00 C ATOM 1560 C PRO A 129 10.889 7.750 -1.137 1.00 0.00 C ATOM 1561 O PRO A 129 11.015 7.634 0.083 1.00 0.00 O ATOM 1562 CB PRO A 129 12.133 9.748 -2.081 1.00 0.00 C ATOM 1563 CG PRO A 129 12.495 10.587 -0.852 1.00 0.00 C ATOM 1564 CD PRO A 129 11.200 10.760 -0.063 1.00 0.00 C ATOM 0 HA PRO A 129 10.166 9.032 -2.667 1.00 0.00 H new ATOM 0 HB2 PRO A 129 12.874 8.969 -2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 129 12.095 10.362 -2.981 1.00 0.00 H new ATOM 0 HG2 PRO A 129 13.255 10.089 -0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 129 12.904 11.553 -1.146 1.00 0.00 H new ATOM 0 HD2 PRO A 129 11.303 10.355 0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 129 10.949 11.816 0.043 1.00 0.00 H new ATOM 1572 N PRO A 130 10.923 6.673 -1.947 1.00 0.00 N ATOM 1573 CA PRO A 130 10.817 5.296 -1.462 1.00 0.00 C ATOM 1574 C PRO A 130 12.095 4.808 -0.758 1.00 0.00 C ATOM 1575 O PRO A 130 12.273 3.609 -0.565 1.00 0.00 O ATOM 1576 CB PRO A 130 10.476 4.478 -2.717 1.00 0.00 C ATOM 1577 CG PRO A 130 11.209 5.239 -3.818 1.00 0.00 C ATOM 1578 CD PRO A 130 10.998 6.694 -3.398 1.00 0.00 C ATOM 0 HA PRO A 130 10.055 5.194 -0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.823 3.448 -2.636 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.402 4.440 -2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 130 12.266 4.976 -3.860 1.00 0.00 H new ATOM 0 HG3 PRO A 130 10.790 5.034 -4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 130 11.819 7.324 -3.739 1.00 0.00 H new ATOM 0 HD3 PRO A 130 10.084 7.099 -3.832 1.00 0.00 H new ATOM 1586 N GLU A 131 12.988 5.720 -0.387 1.00 0.00 N ATOM 1587 CA GLU A 131 14.281 5.484 0.225 1.00 0.00 C ATOM 1588 C GLU A 131 14.354 6.075 1.635 1.00 0.00 C ATOM 1589 O GLU A 131 15.305 5.785 2.355 1.00 0.00 O ATOM 1590 CB GLU A 131 15.318 6.080 -0.732 1.00 0.00 C ATOM 1591 CG GLU A 131 16.764 5.823 -0.290 1.00 0.00 C ATOM 1592 CD GLU A 131 17.763 5.833 -1.446 1.00 0.00 C ATOM 1593 OE1 GLU A 131 18.942 6.204 -1.255 1.00 0.00 O ATOM 1594 OE2 GLU A 131 17.393 5.419 -2.572 1.00 0.00 O ATOM 0 H GLU A 131 12.809 6.715 -0.518 1.00 0.00 H new ATOM 0 HA GLU A 131 14.471 4.420 0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 131 15.169 5.660 -1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 131 15.154 7.155 -0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 131 17.054 6.581 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 131 16.815 4.859 0.216 1.00 0.00 H new ATOM 1602 N LEU A 132 13.354 6.859 2.059 1.00 0.00 N ATOM 1603 CA LEU A 132 13.308 7.456 3.398 1.00 0.00 C ATOM 1604 C LEU A 132 12.297 6.750 4.309 1.00 0.00 C ATOM 1605 O LEU A 132 12.301 6.966 5.522 1.00 0.00 O ATOM 1606 CB LEU A 132 13.022 8.962 3.273 1.00 0.00 C ATOM 1607 CG LEU A 132 14.187 9.786 2.690 1.00 0.00 C ATOM 1608 CD1 LEU A 132 13.784 11.265 2.586 1.00 0.00 C ATOM 1609 CD2 LEU A 132 15.426 9.710 3.581 1.00 0.00 C ATOM 0 H LEU A 132 12.550 7.098 1.478 1.00 0.00 H new ATOM 0 HA LEU A 132 14.279 7.323 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 132 12.144 9.101 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 132 12.773 9.355 4.259 1.00 0.00 H new ATOM 0 HG LEU A 132 14.415 9.370 1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 132 14.613 11.840 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 132 12.916 11.361 1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 132 13.537 11.645 3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 132 16.228 10.302 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 132 15.188 10.101 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 132 15.748 8.672 3.669 1.00 0.00 H new ATOM 1621 N TRP A 133 11.484 5.862 3.738 1.00 0.00 N ATOM 1622 CA TRP A 133 10.645 4.882 4.429 1.00 0.00 C ATOM 1623 C TRP A 133 11.305 3.504 4.477 1.00 0.00 C ATOM 1624 O TRP A 133 10.657 2.563 4.934 1.00 0.00 O ATOM 1625 CB TRP A 133 9.286 4.828 3.715 1.00 0.00 C ATOM 1626 CG TRP A 133 9.097 3.816 2.623 1.00 0.00 C ATOM 1627 CD1 TRP A 133 9.918 3.566 1.581 1.00 0.00 C ATOM 1628 CD2 TRP A 133 8.031 2.837 2.517 1.00 0.00 C ATOM 1629 NE1 TRP A 133 9.396 2.549 0.806 1.00 0.00 N ATOM 1630 CE2 TRP A 133 8.226 2.054 1.347 1.00 0.00 C ATOM 1631 CE3 TRP A 133 6.896 2.571 3.297 1.00 0.00 C ATOM 1632 CZ2 TRP A 133 7.326 1.039 0.978 1.00 0.00 C ATOM 1633 CZ3 TRP A 133 5.990 1.548 2.944 1.00 0.00 C ATOM 1634 CH2 TRP A 133 6.225 0.762 1.803 1.00 0.00 C ATOM 0 H TRP A 133 11.387 5.803 2.724 1.00 0.00 H new ATOM 0 HA TRP A 133 10.507 5.188 5.466 1.00 0.00 H new ATOM 0 HB2 TRP A 133 8.520 4.650 4.470 1.00 0.00 H new ATOM 0 HB3 TRP A 133 9.093 5.814 3.292 1.00 0.00 H new ATOM 0 HD1 TRP A 133 10.845 4.084 1.383 1.00 0.00 H new ATOM 0 HE1 TRP A 133 9.821 2.207 -0.056 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.712 3.160 4.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.480 0.478 0.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 5.115 1.369 3.551 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.560 -0.054 1.561 1.00 0.00 H new ATOM 1645 N ASP A 134 12.532 3.392 3.950 1.00 0.00 N ATOM 1646 CA ASP A 134 13.306 2.193 3.666 1.00 0.00 C ATOM 1647 C ASP A 134 13.066 1.069 4.662 1.00 0.00 C ATOM 1648 O ASP A 134 13.712 1.038 5.708 1.00 0.00 O ATOM 1649 CB ASP A 134 14.806 2.493 3.523 1.00 0.00 C ATOM 1650 CG ASP A 134 15.482 3.314 4.633 1.00 0.00 C ATOM 1651 OD1 ASP A 134 14.904 4.315 5.131 1.00 0.00 O ATOM 1652 OD2 ASP A 134 16.660 3.029 4.925 1.00 0.00 O ATOM 0 H ASP A 134 13.053 4.229 3.688 1.00 0.00 H new ATOM 0 HA ASP A 134 12.941 1.836 2.703 1.00 0.00 H new ATOM 0 HB2 ASP A 134 15.332 1.541 3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 134 14.954 3.019 2.580 1.00 0.00 H new ATOM 1658 N PRO A 135 12.132 0.147 4.361 1.00 0.00 N ATOM 1659 CA PRO A 135 11.709 -0.794 5.368 1.00 0.00 C ATOM 1660 C PRO A 135 12.725 -1.933 5.485 1.00 0.00 C ATOM 1661 O PRO A 135 12.846 -2.495 6.585 1.00 0.00 O ATOM 1662 CB PRO A 135 10.320 -1.261 4.941 1.00 0.00 C ATOM 1663 CG PRO A 135 10.386 -1.172 3.429 1.00 0.00 C ATOM 1664 CD PRO A 135 11.296 0.032 3.174 1.00 0.00 C ATOM 0 HA PRO A 135 11.657 -0.355 6.364 1.00 0.00 H new ATOM 0 HB2 PRO A 135 10.114 -2.277 5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 135 9.536 -0.624 5.350 1.00 0.00 H new ATOM 0 HG2 PRO A 135 10.796 -2.083 2.992 1.00 0.00 H new ATOM 0 HG3 PRO A 135 9.398 -1.026 2.993 1.00 0.00 H new ATOM 0 HD2 PRO A 135 11.902 -0.117 2.280 1.00 0.00 H new ATOM 0 HD3 PRO A 135 10.712 0.939 3.016 1.00 0.00 H new ATOM 1672 N GLY A 136 13.454 -2.295 4.411 1.00 0.00 N ATOM 1673 CA GLY A 136 14.599 -3.197 4.576 1.00 0.00 C ATOM 1674 C GLY A 136 15.536 -3.298 3.383 1.00 0.00 C ATOM 1675 O GLY A 136 16.724 -3.509 3.591 1.00 0.00 O ATOM 0 H GLY A 136 13.276 -1.987 3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 136 15.176 -2.868 5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 136 14.223 -4.194 4.804 1.00 0.00 H new ATOM 1679 N ILE A 137 15.052 -3.059 2.161 1.00 0.00 N ATOM 1680 CA ILE A 137 15.857 -2.805 0.960 1.00 0.00 C ATOM 1681 C ILE A 137 16.633 -4.037 0.459 1.00 0.00 C ATOM 1682 O ILE A 137 17.800 -4.251 0.798 1.00 0.00 O ATOM 1683 CB ILE A 137 16.758 -1.562 1.151 1.00 0.00 C ATOM 1684 CG1 ILE A 137 16.000 -0.330 1.700 1.00 0.00 C ATOM 1685 CG2 ILE A 137 17.444 -1.197 -0.175 1.00 0.00 C ATOM 1686 CD1 ILE A 137 14.797 0.109 0.855 1.00 0.00 C ATOM 0 H ILE A 137 14.050 -3.036 1.972 1.00 0.00 H new ATOM 0 HA ILE A 137 15.155 -2.584 0.156 1.00 0.00 H new ATOM 0 HB ILE A 137 17.501 -1.835 1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 137 15.656 -0.552 2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 137 16.697 0.504 1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 137 18.076 -0.321 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 137 18.057 -2.034 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 137 16.687 -0.977 -0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 137 14.327 0.978 1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.133 0.367 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 137 14.075 -0.706 0.798 1.00 0.00 H new