USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 733 hydrogens (12 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 92 LYS NZ :NH3+ 171:sc= 0.816 (180deg=0.384) USER MOD Set 1.2: A 94 GLN : amide:sc= -0.598! C(o=0.22!,f=-8.4!) USER MOD Set 2.1: A 14 LYS NZ :NH3+ -171:sc= 2.13 (180deg=0.947) USER MOD Set 2.2: A 82 THR OG1 : rot -64:sc= 2.1 USER MOD Set 3.1: A 71 THR OG1 : rot 180:sc= -0.189 USER MOD Set 3.2: A 74 GLN : amide:sc= -0.0656 X(o=-0.25,f=-0.19) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.175 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 17 ASN : amide:sc= -0.0153 X(o=-0.015,f=-0.5) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc=-0.00412 K(o=-0.0041,f=-2!) USER MOD Single : A 29 THR OG1 : rot 41:sc= 0.28 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 170:sc= 1.15 USER MOD Single : A 54 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.59) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00954) USER MOD Single : A 63 ASN : amide:sc= -0.241 K(o=-0.24,f=-2.2) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.023) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 81 ASN : amide:sc= 1.29 K(o=1.3,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 49:sc= 0.44 USER MOD Single : A 101 33B O62 : rot 180:sc= 0.234 USER MOD Single : A 101 33B O72 : rot 180:sc= 0.64 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.702 -1.448 -13.825 1.00 44.13 N ATOM 2 CA GLY A 1 -13.086 -1.204 -12.528 1.00 74.13 C ATOM 3 C GLY A 1 -12.164 -2.331 -12.226 1.00 40.21 C ATOM 4 O GLY A 1 -12.148 -3.371 -12.928 1.00 3.55 O ATOM 0 H1 GLY A 1 -13.452 -0.679 -14.478 1.00 44.13 H new ATOM 0 H2 GLY A 1 -13.359 -2.352 -14.207 1.00 44.13 H new ATOM 0 H3 GLY A 1 -14.736 -1.487 -13.717 1.00 44.13 H new ATOM 0 HA2 GLY A 1 -12.540 -0.260 -12.539 1.00 74.13 H new ATOM 0 HA3 GLY A 1 -13.850 -1.122 -11.755 1.00 74.13 H new ATOM 10 N PRO A 2 -11.346 -2.137 -11.191 1.00 31.44 N ATOM 11 CA PRO A 2 -10.371 -3.118 -10.766 1.00 55.21 C ATOM 12 C PRO A 2 -11.113 -4.316 -10.214 1.00 72.11 C ATOM 13 O PRO A 2 -11.834 -4.180 -9.219 1.00 72.42 O ATOM 14 CB PRO A 2 -9.535 -2.397 -9.689 1.00 33.11 C ATOM 15 CG PRO A 2 -10.473 -1.302 -9.139 1.00 61.35 C ATOM 16 CD PRO A 2 -11.338 -0.927 -10.354 1.00 23.30 C ATOM 0 HA PRO A 2 -9.726 -3.485 -11.564 1.00 55.21 H new ATOM 0 HB2 PRO A 2 -9.224 -3.084 -8.902 1.00 33.11 H new ATOM 0 HB3 PRO A 2 -8.628 -1.966 -10.113 1.00 33.11 H new ATOM 0 HG2 PRO A 2 -11.080 -1.672 -8.313 1.00 61.35 H new ATOM 0 HG3 PRO A 2 -9.913 -0.445 -8.765 1.00 61.35 H new ATOM 0 HD2 PRO A 2 -12.347 -0.648 -10.051 1.00 23.30 H new ATOM 0 HD3 PRO A 2 -10.919 -0.076 -10.891 1.00 23.30 H new ATOM 24 N LYS A 3 -10.943 -5.484 -10.841 1.00 73.44 N ATOM 25 CA LYS A 3 -11.570 -6.691 -10.369 1.00 74.05 C ATOM 26 C LYS A 3 -10.701 -7.192 -9.243 1.00 54.21 C ATOM 27 O LYS A 3 -9.561 -6.763 -9.092 1.00 4.30 O ATOM 28 CB LYS A 3 -11.621 -7.780 -11.470 1.00 60.20 C ATOM 29 CG LYS A 3 -12.614 -7.450 -12.586 1.00 63.14 C ATOM 30 CD LYS A 3 -12.701 -8.539 -13.653 1.00 22.00 C ATOM 31 CE LYS A 3 -11.450 -8.620 -14.543 1.00 11.40 C ATOM 32 NZ LYS A 3 -11.524 -9.786 -15.431 1.00 73.33 N ATOM 0 H LYS A 3 -10.372 -5.604 -11.678 1.00 73.44 H new ATOM 0 HA LYS A 3 -12.596 -6.485 -10.063 1.00 74.05 H new ATOM 0 HB2 LYS A 3 -10.627 -7.903 -11.899 1.00 60.20 H new ATOM 0 HB3 LYS A 3 -11.893 -8.734 -11.018 1.00 60.20 H new ATOM 0 HG2 LYS A 3 -13.602 -7.296 -12.151 1.00 63.14 H new ATOM 0 HG3 LYS A 3 -12.323 -6.511 -13.057 1.00 63.14 H new ATOM 0 HD2 LYS A 3 -12.856 -9.502 -13.167 1.00 22.00 H new ATOM 0 HD3 LYS A 3 -13.573 -8.355 -14.280 1.00 22.00 H new ATOM 0 HE2 LYS A 3 -11.359 -7.710 -15.136 1.00 11.40 H new ATOM 0 HE3 LYS A 3 -10.558 -8.686 -13.921 1.00 11.40 H new ATOM 0 HZ1 LYS A 3 -10.671 -9.825 -16.025 1.00 73.33 H new ATOM 0 HZ2 LYS A 3 -11.589 -10.653 -14.861 1.00 73.33 H new ATOM 0 HZ3 LYS A 3 -12.365 -9.707 -16.038 1.00 73.33 H new ATOM 46 N PRO A 4 -11.228 -8.115 -8.426 1.00 34.35 N ATOM 47 CA PRO A 4 -10.447 -8.768 -7.394 1.00 54.44 C ATOM 48 C PRO A 4 -9.264 -9.464 -8.043 1.00 41.33 C ATOM 49 O PRO A 4 -9.466 -10.358 -8.859 1.00 14.31 O ATOM 50 CB PRO A 4 -11.416 -9.750 -6.708 1.00 51.34 C ATOM 51 CG PRO A 4 -12.592 -9.905 -7.705 1.00 24.35 C ATOM 52 CD PRO A 4 -12.626 -8.564 -8.438 1.00 42.43 C ATOM 0 HA PRO A 4 -10.034 -8.081 -6.655 1.00 54.44 H new ATOM 0 HB2 PRO A 4 -10.935 -10.708 -6.511 1.00 51.34 H new ATOM 0 HB3 PRO A 4 -11.759 -9.362 -5.749 1.00 51.34 H new ATOM 0 HG2 PRO A 4 -12.426 -10.733 -8.394 1.00 24.35 H new ATOM 0 HG3 PRO A 4 -13.531 -10.103 -7.188 1.00 24.35 H new ATOM 0 HD2 PRO A 4 -13.000 -8.675 -9.456 1.00 42.43 H new ATOM 0 HD3 PRO A 4 -13.278 -7.851 -7.934 1.00 42.43 H new ATOM 60 N GLY A 5 -8.038 -9.046 -7.680 1.00 74.20 N ATOM 61 CA GLY A 5 -6.842 -9.652 -8.245 1.00 63.41 C ATOM 62 C GLY A 5 -6.166 -8.666 -9.148 1.00 53.35 C ATOM 63 O GLY A 5 -4.964 -8.775 -9.384 1.00 61.42 O ATOM 0 H GLY A 5 -7.861 -8.301 -7.007 1.00 74.20 H new ATOM 0 HA2 GLY A 5 -6.164 -9.957 -7.448 1.00 63.41 H new ATOM 0 HA3 GLY A 5 -7.105 -10.552 -8.802 1.00 63.41 H new ATOM 67 N ASP A 6 -6.933 -7.679 -9.696 1.00 4.11 N ATOM 68 CA ASP A 6 -6.346 -6.705 -10.635 1.00 73.34 C ATOM 69 C ASP A 6 -5.342 -5.871 -9.914 1.00 33.12 C ATOM 70 O ASP A 6 -5.526 -5.516 -8.743 1.00 20.34 O ATOM 71 CB ASP A 6 -7.333 -5.706 -11.337 1.00 71.04 C ATOM 72 CG ASP A 6 -7.819 -6.291 -12.642 1.00 73.41 C ATOM 73 OD1 ASP A 6 -6.965 -6.783 -13.433 1.00 20.15 O ATOM 74 OD2 ASP A 6 -9.037 -6.218 -12.926 1.00 74.23 O ATOM 0 H ASP A 6 -7.926 -7.547 -9.506 1.00 4.11 H new ATOM 0 HA ASP A 6 -5.932 -7.332 -11.424 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -8.181 -5.500 -10.683 1.00 71.04 H new ATOM 0 HB3 ASP A 6 -6.832 -4.755 -11.519 1.00 71.04 H new ATOM 79 N ILE A 7 -4.253 -5.530 -10.638 1.00 25.33 N ATOM 80 CA ILE A 7 -3.251 -4.636 -10.138 1.00 5.34 C ATOM 81 C ILE A 7 -3.632 -3.311 -10.707 1.00 72.23 C ATOM 82 O ILE A 7 -3.970 -3.198 -11.900 1.00 4.21 O ATOM 83 CB ILE A 7 -1.788 -4.987 -10.557 1.00 13.14 C ATOM 84 CG1 ILE A 7 -1.236 -6.181 -9.748 1.00 22.45 C ATOM 85 CG2 ILE A 7 -0.867 -3.740 -10.394 1.00 34.44 C ATOM 86 CD1 ILE A 7 -1.918 -7.497 -10.031 1.00 53.41 C ATOM 0 H ILE A 7 -4.068 -5.879 -11.578 1.00 25.33 H new ATOM 0 HA ILE A 7 -3.231 -4.679 -9.049 1.00 5.34 H new ATOM 0 HB ILE A 7 -1.801 -5.281 -11.606 1.00 13.14 H new ATOM 0 HG12 ILE A 7 -0.172 -6.285 -9.958 1.00 22.45 H new ATOM 0 HG13 ILE A 7 -1.331 -5.958 -8.685 1.00 22.45 H new ATOM 0 HG21 ILE A 7 0.150 -3.998 -10.689 1.00 34.44 H new ATOM 0 HG22 ILE A 7 -1.234 -2.931 -11.026 1.00 34.44 H new ATOM 0 HG23 ILE A 7 -0.872 -3.418 -9.353 1.00 34.44 H new ATOM 0 HD11 ILE A 7 -1.467 -8.279 -9.420 1.00 53.41 H new ATOM 0 HD12 ILE A 7 -2.978 -7.416 -9.792 1.00 53.41 H new ATOM 0 HD13 ILE A 7 -1.801 -7.748 -11.085 1.00 53.41 H new ATOM 98 N PHE A 8 -3.601 -2.290 -9.875 1.00 31.51 N ATOM 99 CA PHE A 8 -3.912 -0.979 -10.310 1.00 41.30 C ATOM 100 C PHE A 8 -2.778 -0.130 -9.874 1.00 71.11 C ATOM 101 O PHE A 8 -2.172 -0.364 -8.827 1.00 72.40 O ATOM 102 CB PHE A 8 -5.295 -0.388 -9.839 1.00 45.43 C ATOM 103 CG PHE A 8 -5.482 -0.487 -8.335 1.00 50.41 C ATOM 104 CD1 PHE A 8 -5.559 -1.750 -7.668 1.00 23.01 C ATOM 105 CD2 PHE A 8 -5.659 0.690 -7.571 1.00 22.30 C ATOM 106 CE1 PHE A 8 -5.770 -1.809 -6.281 1.00 25.00 C ATOM 107 CE2 PHE A 8 -5.881 0.622 -6.183 1.00 70.21 C ATOM 108 CZ PHE A 8 -5.934 -0.623 -5.539 1.00 62.40 C ATOM 0 H PHE A 8 -3.359 -2.363 -8.887 1.00 31.51 H new ATOM 0 HA PHE A 8 -4.041 -1.005 -11.392 1.00 41.30 H new ATOM 0 HB2 PHE A 8 -5.364 0.656 -10.143 1.00 45.43 H new ATOM 0 HB3 PHE A 8 -6.104 -0.920 -10.339 1.00 45.43 H new ATOM 0 HD1 PHE A 8 -5.454 -2.664 -8.234 1.00 23.01 H new ATOM 0 HD2 PHE A 8 -5.623 1.653 -8.059 1.00 22.30 H new ATOM 0 HE1 PHE A 8 -5.807 -2.766 -5.782 1.00 25.00 H new ATOM 0 HE2 PHE A 8 -6.011 1.530 -5.613 1.00 70.21 H new ATOM 0 HZ PHE A 8 -6.101 -0.672 -4.473 1.00 62.40 H new ATOM 118 N GLU A 9 -2.422 0.822 -10.727 1.00 23.22 N ATOM 119 CA GLU A 9 -1.305 1.658 -10.521 1.00 14.43 C ATOM 120 C GLU A 9 -1.879 2.948 -10.063 1.00 13.25 C ATOM 121 O GLU A 9 -2.866 3.424 -10.643 1.00 62.54 O ATOM 122 CB GLU A 9 -0.510 1.927 -11.835 1.00 15.03 C ATOM 123 CG GLU A 9 -0.073 0.637 -12.593 1.00 71.43 C ATOM 124 CD GLU A 9 -1.238 0.056 -13.400 1.00 50.42 C ATOM 125 OE1 GLU A 9 -2.307 0.719 -13.524 1.00 62.45 O ATOM 126 OE2 GLU A 9 -1.090 -1.054 -13.940 1.00 31.41 O ATOM 0 H GLU A 9 -2.928 1.018 -11.590 1.00 23.22 H new ATOM 0 HA GLU A 9 -0.614 1.194 -9.818 1.00 14.43 H new ATOM 0 HB2 GLU A 9 -1.124 2.535 -12.500 1.00 15.03 H new ATOM 0 HB3 GLU A 9 0.378 2.513 -11.596 1.00 15.03 H new ATOM 0 HG2 GLU A 9 0.758 0.866 -13.260 1.00 71.43 H new ATOM 0 HG3 GLU A 9 0.286 -0.105 -11.880 1.00 71.43 H new ATOM 133 N VAL A 10 -1.332 3.507 -8.988 1.00 62.33 N ATOM 134 CA VAL A 10 -1.878 4.705 -8.415 1.00 25.45 C ATOM 135 C VAL A 10 -0.729 5.624 -8.194 1.00 51.41 C ATOM 136 O VAL A 10 0.314 5.218 -7.687 1.00 1.35 O ATOM 137 CB VAL A 10 -2.568 4.462 -7.058 1.00 75.51 C ATOM 138 CG1 VAL A 10 -3.239 5.773 -6.566 1.00 44.50 C ATOM 139 CG2 VAL A 10 -3.578 3.311 -7.222 1.00 43.41 C ATOM 0 H VAL A 10 -0.512 3.140 -8.505 1.00 62.33 H new ATOM 0 HA VAL A 10 -2.634 5.106 -9.090 1.00 25.45 H new ATOM 0 HB VAL A 10 -1.842 4.173 -6.298 1.00 75.51 H new ATOM 0 HG11 VAL A 10 -3.725 5.595 -5.607 1.00 44.50 H new ATOM 0 HG12 VAL A 10 -2.482 6.548 -6.451 1.00 44.50 H new ATOM 0 HG13 VAL A 10 -3.982 6.097 -7.295 1.00 44.50 H new ATOM 0 HG21 VAL A 10 -4.076 3.125 -6.270 1.00 43.41 H new ATOM 0 HG22 VAL A 10 -4.320 3.582 -7.973 1.00 43.41 H new ATOM 0 HG23 VAL A 10 -3.054 2.409 -7.539 1.00 43.41 H new ATOM 149 N GLU A 11 -0.912 6.898 -8.548 1.00 62.21 N ATOM 150 CA GLU A 11 0.009 7.900 -8.142 1.00 4.42 C ATOM 151 C GLU A 11 -0.675 8.594 -7.034 1.00 63.31 C ATOM 152 O GLU A 11 -1.767 9.148 -7.210 1.00 43.43 O ATOM 153 CB GLU A 11 0.342 8.944 -9.213 1.00 5.33 C ATOM 154 CG GLU A 11 1.192 8.393 -10.362 1.00 13.23 C ATOM 155 CD GLU A 11 1.632 9.550 -11.234 1.00 33.24 C ATOM 156 OE1 GLU A 11 1.322 10.723 -10.899 1.00 31.34 O ATOM 157 OE2 GLU A 11 2.294 9.302 -12.260 1.00 31.03 O ATOM 0 H GLU A 11 -1.692 7.235 -9.112 1.00 62.21 H new ATOM 0 HA GLU A 11 0.959 7.426 -7.894 1.00 4.42 H new ATOM 0 HB2 GLU A 11 -0.587 9.345 -9.619 1.00 5.33 H new ATOM 0 HB3 GLU A 11 0.871 9.775 -8.747 1.00 5.33 H new ATOM 0 HG2 GLU A 11 2.060 7.863 -9.970 1.00 13.23 H new ATOM 0 HG3 GLU A 11 0.617 7.675 -10.947 1.00 13.23 H new ATOM 164 N LEU A 12 -0.077 8.539 -5.856 1.00 24.44 N ATOM 165 CA LEU A 12 -0.681 9.088 -4.703 1.00 41.04 C ATOM 166 C LEU A 12 0.025 10.365 -4.474 1.00 62.20 C ATOM 167 O LEU A 12 1.253 10.380 -4.344 1.00 11.40 O ATOM 168 CB LEU A 12 -0.471 8.174 -3.467 1.00 14.43 C ATOM 169 CG LEU A 12 -1.627 8.192 -2.464 1.00 4.40 C ATOM 170 CD1 LEU A 12 -1.771 9.521 -1.728 1.00 53.01 C ATOM 171 CD2 LEU A 12 -2.943 7.719 -3.102 1.00 23.42 C ATOM 0 H LEU A 12 0.835 8.111 -5.695 1.00 24.44 H new ATOM 0 HA LEU A 12 -1.756 9.205 -4.843 1.00 41.04 H new ATOM 0 HB2 LEU A 12 -0.319 7.150 -3.809 1.00 14.43 H new ATOM 0 HB3 LEU A 12 0.442 8.479 -2.956 1.00 14.43 H new ATOM 0 HG LEU A 12 -1.370 7.467 -1.691 1.00 4.40 H new ATOM 0 HD11 LEU A 12 -2.609 9.463 -1.033 1.00 53.01 H new ATOM 0 HD12 LEU A 12 -0.855 9.732 -1.175 1.00 53.01 H new ATOM 0 HD13 LEU A 12 -1.951 10.318 -2.449 1.00 53.01 H new ATOM 0 HD21 LEU A 12 -3.739 7.746 -2.358 1.00 23.42 H new ATOM 0 HD22 LEU A 12 -3.201 8.375 -3.933 1.00 23.42 H new ATOM 0 HD23 LEU A 12 -2.824 6.699 -3.468 1.00 23.42 H new ATOM 183 N ALA A 13 -0.717 11.478 -4.472 1.00 50.24 N ATOM 184 CA ALA A 13 -0.103 12.756 -4.329 1.00 14.34 C ATOM 185 C ALA A 13 -0.139 13.103 -2.885 1.00 63.11 C ATOM 186 O ALA A 13 -1.164 12.986 -2.218 1.00 53.13 O ATOM 187 CB ALA A 13 -0.795 13.885 -5.116 1.00 44.32 C ATOM 0 H ALA A 13 -1.732 11.497 -4.568 1.00 50.24 H new ATOM 0 HA ALA A 13 0.907 12.678 -4.732 1.00 14.34 H new ATOM 0 HB1 ALA A 13 -0.263 14.822 -4.951 1.00 44.32 H new ATOM 0 HB2 ALA A 13 -0.787 13.645 -6.179 1.00 44.32 H new ATOM 0 HB3 ALA A 13 -1.825 13.987 -4.775 1.00 44.32 H new ATOM 193 N LYS A 14 1.001 13.563 -2.391 1.00 14.13 N ATOM 194 CA LYS A 14 1.195 13.974 -1.022 1.00 72.04 C ATOM 195 C LYS A 14 0.818 15.417 -0.913 1.00 54.02 C ATOM 196 O LYS A 14 1.424 16.184 -0.157 1.00 11.01 O ATOM 197 CB LYS A 14 2.635 13.785 -0.554 1.00 34.51 C ATOM 198 CG LYS A 14 3.013 12.293 -0.506 1.00 74.01 C ATOM 199 CD LYS A 14 2.894 11.674 0.881 1.00 60.30 C ATOM 200 CE LYS A 14 3.891 12.241 1.897 1.00 50.21 C ATOM 201 NZ LYS A 14 5.289 11.986 1.460 1.00 13.21 N ATOM 0 H LYS A 14 1.842 13.661 -2.959 1.00 14.13 H new ATOM 0 HA LYS A 14 0.570 13.350 -0.383 1.00 72.04 H new ATOM 0 HB2 LYS A 14 3.311 14.313 -1.227 1.00 34.51 H new ATOM 0 HB3 LYS A 14 2.760 14.227 0.435 1.00 34.51 H new ATOM 0 HG2 LYS A 14 2.373 11.743 -1.196 1.00 74.01 H new ATOM 0 HG3 LYS A 14 4.037 12.175 -0.860 1.00 74.01 H new ATOM 0 HD2 LYS A 14 1.881 11.830 1.253 1.00 60.30 H new ATOM 0 HD3 LYS A 14 3.042 10.597 0.802 1.00 60.30 H new ATOM 0 HE2 LYS A 14 3.731 13.313 2.012 1.00 50.21 H new ATOM 0 HE3 LYS A 14 3.721 11.787 2.873 1.00 50.21 H new ATOM 0 HZ1 LYS A 14 5.944 12.239 2.227 1.00 13.21 H new ATOM 0 HZ2 LYS A 14 5.401 10.979 1.226 1.00 13.21 H new ATOM 0 HZ3 LYS A 14 5.501 12.562 0.620 1.00 13.21 H new ATOM 215 N ASN A 15 -0.204 15.828 -1.704 1.00 53.24 N ATOM 216 CA ASN A 15 -0.747 17.176 -1.616 1.00 14.02 C ATOM 217 C ASN A 15 -1.371 17.293 -0.235 1.00 15.54 C ATOM 218 O ASN A 15 -1.433 18.371 0.350 1.00 21.43 O ATOM 219 CB ASN A 15 -1.846 17.455 -2.679 1.00 3.22 C ATOM 220 CG ASN A 15 -2.296 18.919 -2.563 1.00 73.15 C ATOM 221 OD1 ASN A 15 -1.485 19.842 -2.703 1.00 34.35 O ATOM 222 ND2 ASN A 15 -3.596 19.143 -2.305 1.00 32.22 N ATOM 0 H ASN A 15 -0.656 15.237 -2.402 1.00 53.24 H new ATOM 0 HA ASN A 15 0.053 17.895 -1.792 1.00 14.02 H new ATOM 0 HB2 ASN A 15 -1.460 17.258 -3.679 1.00 3.22 H new ATOM 0 HB3 ASN A 15 -2.694 16.788 -2.527 1.00 3.22 H new ATOM 0 HD21 ASN A 15 -3.942 20.099 -2.219 1.00 32.22 H new ATOM 0 HD22 ASN A 15 -4.237 18.357 -2.195 1.00 32.22 H new ATOM 229 N ASP A 16 -1.782 16.142 0.330 1.00 21.12 N ATOM 230 CA ASP A 16 -2.151 16.080 1.730 1.00 34.34 C ATOM 231 C ASP A 16 -0.898 15.652 2.416 1.00 22.02 C ATOM 232 O ASP A 16 -0.137 14.861 1.877 1.00 3.42 O ATOM 233 CB ASP A 16 -3.247 15.046 2.055 1.00 14.23 C ATOM 234 CG ASP A 16 -4.583 15.544 1.531 1.00 53.24 C ATOM 235 OD1 ASP A 16 -4.642 16.631 0.922 1.00 34.42 O ATOM 236 OD2 ASP A 16 -5.593 14.858 1.751 1.00 53.53 O ATOM 0 H ASP A 16 -1.862 15.256 -0.169 1.00 21.12 H new ATOM 0 HA ASP A 16 -2.555 17.043 2.041 1.00 34.34 H new ATOM 0 HB2 ASP A 16 -3.002 14.085 1.602 1.00 14.23 H new ATOM 0 HB3 ASP A 16 -3.303 14.886 3.132 1.00 14.23 H new ATOM 241 N ASN A 17 -0.613 16.223 3.597 1.00 5.43 N ATOM 242 CA ASN A 17 0.721 16.095 4.187 1.00 31.21 C ATOM 243 C ASN A 17 0.853 14.759 4.844 1.00 74.31 C ATOM 244 O ASN A 17 1.960 14.222 4.960 1.00 74.50 O ATOM 245 CB ASN A 17 1.059 17.199 5.221 1.00 2.01 C ATOM 246 CG ASN A 17 1.083 18.549 4.489 1.00 2.22 C ATOM 247 OD1 ASN A 17 1.707 18.688 3.414 1.00 22.03 O ATOM 248 ND2 ASN A 17 0.408 19.565 5.049 1.00 22.24 N ATOM 0 H ASN A 17 -1.276 16.766 4.150 1.00 5.43 H new ATOM 0 HA ASN A 17 1.428 16.205 3.364 1.00 31.21 H new ATOM 0 HB2 ASN A 17 0.317 17.212 6.019 1.00 2.01 H new ATOM 0 HB3 ASN A 17 2.025 17.001 5.686 1.00 2.01 H new ATOM 0 HD21 ASN A 17 0.395 20.479 4.597 1.00 22.24 H new ATOM 0 HD22 ASN A 17 -0.092 19.423 5.927 1.00 22.24 H new ATOM 255 N SER A 18 -0.269 14.169 5.269 1.00 12.05 N ATOM 256 CA SER A 18 -0.227 12.841 5.813 1.00 24.13 C ATOM 257 C SER A 18 -0.374 11.910 4.657 1.00 70.33 C ATOM 258 O SER A 18 -1.373 11.953 3.956 1.00 25.20 O ATOM 259 CB SER A 18 -1.391 12.544 6.777 1.00 23.24 C ATOM 260 OG SER A 18 -1.260 13.322 7.963 1.00 42.10 O ATOM 0 H SER A 18 -1.195 14.595 5.241 1.00 12.05 H new ATOM 0 HA SER A 18 0.704 12.727 6.369 1.00 24.13 H new ATOM 0 HB2 SER A 18 -2.341 12.766 6.291 1.00 23.24 H new ATOM 0 HB3 SER A 18 -1.402 11.484 7.029 1.00 23.24 H new ATOM 0 HG SER A 18 -2.006 13.126 8.567 1.00 42.10 H new ATOM 266 N LEU A 19 0.620 11.002 4.453 1.00 52.30 N ATOM 267 CA LEU A 19 0.478 9.956 3.453 1.00 53.44 C ATOM 268 C LEU A 19 -0.576 9.037 4.017 1.00 2.14 C ATOM 269 O LEU A 19 -1.669 8.899 3.468 1.00 2.01 O ATOM 270 CB LEU A 19 1.820 9.178 3.239 1.00 42.32 C ATOM 271 CG LEU A 19 1.812 8.068 2.153 1.00 74.44 C ATOM 272 CD1 LEU A 19 1.391 6.712 2.701 1.00 22.01 C ATOM 273 CD2 LEU A 19 1.054 8.449 0.859 1.00 14.31 C ATOM 0 H LEU A 19 1.502 10.988 4.965 1.00 52.30 H new ATOM 0 HA LEU A 19 0.209 10.364 2.479 1.00 53.44 H new ATOM 0 HB2 LEU A 19 2.596 9.900 2.983 1.00 42.32 H new ATOM 0 HB3 LEU A 19 2.107 8.725 4.188 1.00 42.32 H new ATOM 0 HG LEU A 19 2.854 7.972 1.848 1.00 74.44 H new ATOM 0 HD11 LEU A 19 1.404 5.975 1.898 1.00 22.01 H new ATOM 0 HD12 LEU A 19 2.083 6.406 3.485 1.00 22.01 H new ATOM 0 HD13 LEU A 19 0.384 6.783 3.113 1.00 22.01 H new ATOM 0 HD21 LEU A 19 1.097 7.619 0.154 1.00 14.31 H new ATOM 0 HD22 LEU A 19 0.013 8.668 1.098 1.00 14.31 H new ATOM 0 HD23 LEU A 19 1.517 9.329 0.412 1.00 14.31 H new ATOM 285 N GLY A 20 -0.306 8.523 5.227 1.00 0.15 N ATOM 286 CA GLY A 20 -1.337 7.939 6.047 1.00 34.54 C ATOM 287 C GLY A 20 -1.772 6.636 5.502 1.00 52.33 C ATOM 288 O GLY A 20 -2.970 6.361 5.409 1.00 52.10 O ATOM 0 H GLY A 20 0.624 8.508 5.645 1.00 0.15 H new ATOM 0 HA2 GLY A 20 -0.967 7.807 7.064 1.00 34.54 H new ATOM 0 HA3 GLY A 20 -2.189 8.616 6.104 1.00 34.54 H new ATOM 292 N ILE A 21 -0.811 5.790 5.191 1.00 73.43 N ATOM 293 CA ILE A 21 -1.079 4.440 4.861 1.00 50.11 C ATOM 294 C ILE A 21 -0.089 3.737 5.714 1.00 1.42 C ATOM 295 O ILE A 21 0.995 4.278 5.964 1.00 71.00 O ATOM 296 CB ILE A 21 -0.801 4.098 3.377 1.00 71.14 C ATOM 297 CG1 ILE A 21 -1.652 4.978 2.444 1.00 74.22 C ATOM 298 CG2 ILE A 21 -1.046 2.593 3.122 1.00 72.30 C ATOM 299 CD1 ILE A 21 -1.313 4.787 0.957 1.00 12.01 C ATOM 0 H ILE A 21 0.178 6.039 5.165 1.00 73.43 H new ATOM 0 HA ILE A 21 -2.126 4.178 5.013 1.00 50.11 H new ATOM 0 HB ILE A 21 0.245 4.310 3.157 1.00 71.14 H new ATOM 0 HG12 ILE A 21 -2.706 4.750 2.602 1.00 74.22 H new ATOM 0 HG13 ILE A 21 -1.508 6.025 2.711 1.00 74.22 H new ATOM 0 HG21 ILE A 21 -0.847 2.364 2.075 1.00 72.30 H new ATOM 0 HG22 ILE A 21 -0.382 2.004 3.754 1.00 72.30 H new ATOM 0 HG23 ILE A 21 -2.082 2.348 3.357 1.00 72.30 H new ATOM 0 HD11 ILE A 21 -1.948 5.435 0.353 1.00 12.01 H new ATOM 0 HD12 ILE A 21 -0.267 5.042 0.787 1.00 12.01 H new ATOM 0 HD13 ILE A 21 -1.484 3.748 0.675 1.00 12.01 H new ATOM 311 N CYS A 22 -0.416 2.540 6.170 1.00 74.13 N ATOM 312 CA CYS A 22 0.555 1.736 6.848 1.00 54.23 C ATOM 313 C CYS A 22 0.171 0.381 6.462 1.00 1.43 C ATOM 314 O CYS A 22 -0.881 0.187 5.840 1.00 41.43 O ATOM 315 CB CYS A 22 0.485 1.809 8.399 1.00 11.12 C ATOM 316 SG CYS A 22 0.860 3.473 9.033 1.00 22.12 S ATOM 0 H CYS A 22 -1.340 2.117 6.079 1.00 74.13 H new ATOM 0 HA CYS A 22 1.561 2.062 6.583 1.00 54.23 H new ATOM 0 HB2 CYS A 22 -0.511 1.513 8.729 1.00 11.12 H new ATOM 0 HB3 CYS A 22 1.188 1.094 8.826 1.00 11.12 H new ATOM 321 N VAL A 23 1.065 -0.567 6.664 1.00 31.32 N ATOM 322 CA VAL A 23 0.960 -1.805 5.998 1.00 74.22 C ATOM 323 C VAL A 23 1.368 -2.850 6.980 1.00 60.32 C ATOM 324 O VAL A 23 1.878 -2.545 8.063 1.00 23.33 O ATOM 325 CB VAL A 23 1.880 -1.873 4.778 1.00 11.44 C ATOM 326 CG1 VAL A 23 1.151 -1.240 3.572 1.00 74.12 C ATOM 327 CG2 VAL A 23 3.196 -1.146 5.111 1.00 51.23 C ATOM 0 H VAL A 23 1.866 -0.482 7.290 1.00 31.32 H new ATOM 0 HA VAL A 23 -0.060 -1.948 5.640 1.00 74.22 H new ATOM 0 HB VAL A 23 2.123 -2.903 4.519 1.00 11.44 H new ATOM 0 HG11 VAL A 23 1.796 -1.282 2.694 1.00 74.12 H new ATOM 0 HG12 VAL A 23 0.231 -1.790 3.373 1.00 74.12 H new ATOM 0 HG13 VAL A 23 0.911 -0.201 3.797 1.00 74.12 H new ATOM 0 HG21 VAL A 23 3.862 -1.187 4.249 1.00 51.23 H new ATOM 0 HG22 VAL A 23 2.985 -0.105 5.357 1.00 51.23 H new ATOM 0 HG23 VAL A 23 3.674 -1.631 5.962 1.00 51.23 H new ATOM 337 N THR A 24 1.102 -4.088 6.628 1.00 31.43 N ATOM 338 CA THR A 24 1.395 -5.192 7.457 1.00 41.52 C ATOM 339 C THR A 24 1.788 -6.274 6.503 1.00 75.20 C ATOM 340 O THR A 24 1.541 -6.151 5.307 1.00 32.23 O ATOM 341 CB THR A 24 0.180 -5.622 8.304 1.00 14.51 C ATOM 342 OG1 THR A 24 0.511 -6.657 9.235 1.00 65.41 O ATOM 343 CG2 THR A 24 -0.985 -6.065 7.373 1.00 43.45 C ATOM 0 H THR A 24 0.669 -4.340 5.740 1.00 31.43 H new ATOM 0 HA THR A 24 2.177 -4.957 8.179 1.00 41.52 H new ATOM 0 HB THR A 24 -0.139 -4.761 8.891 1.00 14.51 H new ATOM 0 HG1 THR A 24 -0.285 -6.899 9.752 1.00 65.41 H new ATOM 0 HG21 THR A 24 -1.840 -6.367 7.978 1.00 43.45 H new ATOM 0 HG22 THR A 24 -1.272 -5.234 6.729 1.00 43.45 H new ATOM 0 HG23 THR A 24 -0.660 -6.905 6.758 1.00 43.45 H new ATOM 351 N GLY A 25 2.399 -7.358 7.012 1.00 60.41 N ATOM 352 CA GLY A 25 2.726 -8.487 6.184 1.00 30.44 C ATOM 353 C GLY A 25 3.972 -8.226 5.393 1.00 33.13 C ATOM 354 O GLY A 25 4.172 -7.158 4.908 1.00 54.14 O ATOM 0 H GLY A 25 2.667 -7.457 7.991 1.00 60.41 H new ATOM 0 HA2 GLY A 25 2.864 -9.372 6.806 1.00 30.44 H new ATOM 0 HA3 GLY A 25 1.898 -8.699 5.507 1.00 30.44 H new ATOM 358 N GLY A 26 4.829 -9.262 5.257 1.00 74.30 N ATOM 359 CA GLY A 26 5.927 -9.204 4.314 1.00 35.04 C ATOM 360 C GLY A 26 6.531 -10.581 4.146 1.00 33.41 C ATOM 361 O GLY A 26 6.166 -11.322 3.226 1.00 1.02 O ATOM 0 H GLY A 26 4.769 -10.130 5.789 1.00 74.30 H new ATOM 0 HA2 GLY A 26 5.573 -8.832 3.352 1.00 35.04 H new ATOM 0 HA3 GLY A 26 6.685 -8.505 4.667 1.00 35.04 H new ATOM 365 N VAL A 27 7.506 -10.908 5.035 1.00 24.21 N ATOM 366 CA VAL A 27 8.398 -12.110 5.053 1.00 54.12 C ATOM 367 C VAL A 27 7.715 -13.491 4.998 1.00 44.45 C ATOM 368 O VAL A 27 8.303 -14.461 5.474 1.00 55.42 O ATOM 369 CB VAL A 27 9.358 -12.085 6.216 1.00 44.21 C ATOM 370 CG1 VAL A 27 10.301 -10.902 6.005 1.00 55.45 C ATOM 371 CG2 VAL A 27 8.555 -11.992 7.531 1.00 42.13 C ATOM 0 H VAL A 27 7.709 -10.292 5.822 1.00 24.21 H new ATOM 0 HA VAL A 27 8.926 -12.010 4.104 1.00 54.12 H new ATOM 0 HB VAL A 27 9.957 -12.993 6.280 1.00 44.21 H new ATOM 0 HG11 VAL A 27 11.012 -10.852 6.830 1.00 55.45 H new ATOM 0 HG12 VAL A 27 10.841 -11.030 5.067 1.00 55.45 H new ATOM 0 HG13 VAL A 27 9.723 -9.978 5.967 1.00 55.45 H new ATOM 0 HG21 VAL A 27 9.243 -11.973 8.377 1.00 42.13 H new ATOM 0 HG22 VAL A 27 7.958 -11.080 7.529 1.00 42.13 H new ATOM 0 HG23 VAL A 27 7.897 -12.857 7.617 1.00 42.13 H new ATOM 381 N ASN A 28 6.475 -13.593 4.528 1.00 4.32 N ATOM 382 CA ASN A 28 5.670 -14.834 4.631 1.00 53.31 C ATOM 383 C ASN A 28 5.009 -14.766 5.934 1.00 53.32 C ATOM 384 O ASN A 28 5.295 -15.490 6.874 1.00 12.45 O ATOM 385 CB ASN A 28 6.353 -16.233 4.432 1.00 44.41 C ATOM 386 CG ASN A 28 6.889 -16.344 2.996 1.00 41.24 C ATOM 387 OD1 ASN A 28 6.996 -15.347 2.261 1.00 24.02 O ATOM 388 ND2 ASN A 28 7.234 -17.570 2.574 1.00 52.21 N ATOM 0 H ASN A 28 5.989 -12.826 4.063 1.00 4.32 H new ATOM 0 HA ASN A 28 5.012 -14.824 3.762 1.00 53.31 H new ATOM 0 HB2 ASN A 28 7.168 -16.356 5.146 1.00 44.41 H new ATOM 0 HB3 ASN A 28 5.636 -17.030 4.626 1.00 44.41 H new ATOM 0 HD21 ASN A 28 7.594 -17.701 1.629 1.00 52.21 H new ATOM 0 HD22 ASN A 28 7.136 -18.371 3.198 1.00 52.21 H new ATOM 395 N THR A 29 4.145 -13.793 5.988 1.00 34.11 N ATOM 396 CA THR A 29 3.410 -13.421 7.134 1.00 33.31 C ATOM 397 C THR A 29 2.188 -14.344 7.163 1.00 72.33 C ATOM 398 O THR A 29 2.149 -15.360 6.467 1.00 22.33 O ATOM 399 CB THR A 29 3.007 -11.956 7.048 1.00 41.32 C ATOM 400 OG1 THR A 29 2.253 -11.507 8.186 1.00 2.11 O ATOM 401 CG2 THR A 29 2.214 -11.759 5.739 1.00 51.00 C ATOM 0 H THR A 29 3.932 -13.212 5.177 1.00 34.11 H new ATOM 0 HA THR A 29 3.993 -13.525 8.049 1.00 33.31 H new ATOM 0 HB THR A 29 3.910 -11.346 7.048 1.00 41.32 H new ATOM 0 HG1 THR A 29 2.639 -11.885 9.004 1.00 2.11 H new ATOM 0 HG21 THR A 29 1.911 -10.716 5.650 1.00 51.00 H new ATOM 0 HG22 THR A 29 2.842 -12.028 4.889 1.00 51.00 H new ATOM 0 HG23 THR A 29 1.328 -12.394 5.751 1.00 51.00 H new ATOM 409 N SER A 30 1.199 -14.008 8.005 1.00 73.34 N ATOM 410 CA SER A 30 0.016 -14.797 8.203 1.00 53.31 C ATOM 411 C SER A 30 -0.749 -14.968 6.898 1.00 53.31 C ATOM 412 O SER A 30 -1.453 -15.963 6.722 1.00 35.12 O ATOM 413 CB SER A 30 -0.936 -14.140 9.218 1.00 41.43 C ATOM 414 OG SER A 30 -0.228 -13.804 10.421 1.00 0.31 O ATOM 0 H SER A 30 1.218 -13.159 8.570 1.00 73.34 H new ATOM 0 HA SER A 30 0.349 -15.765 8.579 1.00 53.31 H new ATOM 0 HB2 SER A 30 -1.377 -13.242 8.785 1.00 41.43 H new ATOM 0 HB3 SER A 30 -1.757 -14.819 9.449 1.00 41.43 H new ATOM 0 HG SER A 30 -0.845 -13.385 11.057 1.00 0.31 H new ATOM 420 N VAL A 31 -0.618 -14.015 5.936 1.00 15.13 N ATOM 421 CA VAL A 31 -1.337 -14.155 4.699 1.00 63.13 C ATOM 422 C VAL A 31 -0.461 -14.981 3.775 1.00 14.13 C ATOM 423 O VAL A 31 0.769 -14.844 3.768 1.00 3.11 O ATOM 424 CB VAL A 31 -1.759 -12.848 4.025 1.00 4.44 C ATOM 425 CG1 VAL A 31 -2.759 -12.134 4.959 1.00 31.11 C ATOM 426 CG2 VAL A 31 -0.527 -11.980 3.712 1.00 52.22 C ATOM 0 H VAL A 31 -0.037 -13.181 6.013 1.00 15.13 H new ATOM 0 HA VAL A 31 -2.288 -14.638 4.923 1.00 63.13 H new ATOM 0 HB VAL A 31 -2.245 -13.043 3.069 1.00 4.44 H new ATOM 0 HG11 VAL A 31 -3.078 -11.197 4.503 1.00 31.11 H new ATOM 0 HG12 VAL A 31 -3.627 -12.773 5.119 1.00 31.11 H new ATOM 0 HG13 VAL A 31 -2.279 -11.927 5.916 1.00 31.11 H new ATOM 0 HG21 VAL A 31 -0.846 -11.054 3.233 1.00 52.22 H new ATOM 0 HG22 VAL A 31 -0.002 -11.747 4.638 1.00 52.22 H new ATOM 0 HG23 VAL A 31 0.140 -12.523 3.043 1.00 52.22 H new ATOM 436 N ARG A 32 -1.111 -15.900 3.029 1.00 32.10 N ATOM 437 CA ARG A 32 -0.438 -16.923 2.224 1.00 42.21 C ATOM 438 C ARG A 32 0.604 -16.319 1.309 1.00 41.43 C ATOM 439 O ARG A 32 1.762 -16.704 1.347 1.00 4.12 O ATOM 440 CB ARG A 32 -1.427 -17.750 1.357 1.00 4.21 C ATOM 441 CG ARG A 32 -0.750 -18.877 0.546 1.00 72.10 C ATOM 442 CD ARG A 32 -1.741 -19.810 -0.183 1.00 22.23 C ATOM 443 NE ARG A 32 -2.692 -20.387 0.839 1.00 72.33 N ATOM 444 CZ ARG A 32 -2.321 -21.416 1.690 1.00 3.14 C ATOM 445 NH1 ARG A 32 -1.066 -21.970 1.603 1.00 0.23 N ATOM 446 NH2 ARG A 32 -3.207 -21.880 2.621 1.00 40.52 N ATOM 0 H ARG A 32 -2.128 -15.947 2.973 1.00 32.10 H new ATOM 0 HA ARG A 32 0.040 -17.587 2.945 1.00 42.21 H new ATOM 0 HB2 ARG A 32 -2.187 -18.187 2.005 1.00 4.21 H new ATOM 0 HB3 ARG A 32 -1.942 -17.079 0.670 1.00 4.21 H new ATOM 0 HG2 ARG A 32 -0.081 -18.430 -0.189 1.00 72.10 H new ATOM 0 HG3 ARG A 32 -0.133 -19.473 1.218 1.00 72.10 H new ATOM 0 HD2 ARG A 32 -2.292 -19.258 -0.944 1.00 22.23 H new ATOM 0 HD3 ARG A 32 -1.204 -20.609 -0.695 1.00 22.23 H new ATOM 0 HE ARG A 32 -3.636 -20.008 0.905 1.00 72.33 H new ATOM 0 HH11 ARG A 32 -0.403 -21.624 0.910 1.00 0.23 H new ATOM 0 HH12 ARG A 32 -0.798 -22.727 2.232 1.00 0.23 H new ATOM 0 HH21 ARG A 32 -4.138 -21.469 2.688 1.00 40.52 H new ATOM 0 HH22 ARG A 32 -2.937 -22.637 3.249 1.00 40.52 H new ATOM 460 N HIS A 33 0.195 -15.395 0.436 1.00 31.50 N ATOM 461 CA HIS A 33 1.070 -14.941 -0.649 1.00 10.45 C ATOM 462 C HIS A 33 2.072 -13.927 -0.150 1.00 5.40 C ATOM 463 O HIS A 33 2.792 -13.326 -0.952 1.00 43.31 O ATOM 464 CB HIS A 33 0.295 -14.291 -1.812 1.00 55.24 C ATOM 465 CG HIS A 33 -0.670 -15.237 -2.462 1.00 52.33 C ATOM 466 ND1 HIS A 33 -0.254 -16.321 -3.174 1.00 35.34 N ATOM 467 CD2 HIS A 33 -2.017 -15.257 -2.453 1.00 51.01 C ATOM 468 CE1 HIS A 33 -1.324 -16.988 -3.585 1.00 63.41 C ATOM 469 NE2 HIS A 33 -2.408 -16.355 -3.155 1.00 31.42 N ATOM 0 H HIS A 33 -0.723 -14.951 0.457 1.00 31.50 H new ATOM 0 HA HIS A 33 1.570 -15.839 -1.011 1.00 10.45 H new ATOM 0 HB2 HIS A 33 -0.248 -13.422 -1.441 1.00 55.24 H new ATOM 0 HB3 HIS A 33 1.003 -13.930 -2.558 1.00 55.24 H new ATOM 0 HD2 HIS A 33 -2.665 -14.536 -1.977 1.00 51.01 H new ATOM 0 HE1 HIS A 33 -1.315 -17.895 -4.172 1.00 63.41 H new ATOM 0 HE2 HIS A 33 -3.372 -16.643 -3.323 1.00 31.42 H new ATOM 478 N GLY A 34 2.161 -13.709 1.189 1.00 55.32 N ATOM 479 CA GLY A 34 3.144 -12.771 1.736 1.00 63.15 C ATOM 480 C GLY A 34 2.771 -11.386 1.306 1.00 32.22 C ATOM 481 O GLY A 34 3.624 -10.524 1.116 1.00 71.11 O ATOM 0 H GLY A 34 1.572 -14.165 1.886 1.00 55.32 H new ATOM 0 HA2 GLY A 34 3.166 -12.837 2.824 1.00 63.15 H new ATOM 0 HA3 GLY A 34 4.144 -13.021 1.382 1.00 63.15 H new ATOM 485 N GLY A 35 1.466 -11.167 1.109 1.00 51.11 N ATOM 486 CA GLY A 35 0.982 -9.907 0.631 1.00 72.31 C ATOM 487 C GLY A 35 1.217 -8.866 1.677 1.00 3.23 C ATOM 488 O GLY A 35 0.812 -9.024 2.829 1.00 55.14 O ATOM 0 H GLY A 35 0.739 -11.862 1.280 1.00 51.11 H new ATOM 0 HA2 GLY A 35 1.492 -9.634 -0.293 1.00 72.31 H new ATOM 0 HA3 GLY A 35 -0.081 -9.975 0.400 1.00 72.31 H new ATOM 492 N ILE A 36 1.870 -7.757 1.267 1.00 10.44 N ATOM 493 CA ILE A 36 2.026 -6.610 2.115 1.00 43.34 C ATOM 494 C ILE A 36 0.672 -5.913 2.018 1.00 4.25 C ATOM 495 O ILE A 36 0.347 -5.337 0.984 1.00 51.10 O ATOM 496 CB ILE A 36 3.109 -5.639 1.577 1.00 71.53 C ATOM 497 CG1 ILE A 36 4.477 -6.354 1.241 1.00 61.55 C ATOM 498 CG2 ILE A 36 3.243 -4.437 2.523 1.00 42.44 C ATOM 499 CD1 ILE A 36 5.614 -6.160 2.267 1.00 11.14 C ATOM 0 H ILE A 36 2.291 -7.656 0.344 1.00 10.44 H new ATOM 0 HA ILE A 36 2.326 -6.895 3.123 1.00 43.34 H new ATOM 0 HB ILE A 36 2.781 -5.258 0.610 1.00 71.53 H new ATOM 0 HG12 ILE A 36 4.289 -7.422 1.135 1.00 61.55 H new ATOM 0 HG13 ILE A 36 4.824 -5.994 0.272 1.00 61.55 H new ATOM 0 HG21 ILE A 36 4.005 -3.757 2.142 1.00 42.44 H new ATOM 0 HG22 ILE A 36 2.288 -3.914 2.585 1.00 42.44 H new ATOM 0 HG23 ILE A 36 3.531 -4.785 3.515 1.00 42.44 H new ATOM 0 HD11 ILE A 36 6.502 -6.695 1.931 1.00 11.14 H new ATOM 0 HD12 ILE A 36 5.843 -5.098 2.360 1.00 11.14 H new ATOM 0 HD13 ILE A 36 5.300 -6.549 3.236 1.00 11.14 H new ATOM 511 N TYR A 37 -0.168 -6.023 3.051 1.00 55.22 N ATOM 512 CA TYR A 37 -1.520 -5.500 2.957 1.00 70.30 C ATOM 513 C TYR A 37 -1.535 -4.178 3.608 1.00 60.41 C ATOM 514 O TYR A 37 -0.843 -3.950 4.588 1.00 74.20 O ATOM 515 CB TYR A 37 -2.602 -6.368 3.670 1.00 30.34 C ATOM 516 CG TYR A 37 -3.060 -7.426 2.716 1.00 23.11 C ATOM 517 CD1 TYR A 37 -4.046 -7.124 1.743 1.00 54.43 C ATOM 518 CD2 TYR A 37 -2.527 -8.732 2.764 1.00 52.30 C ATOM 519 CE1 TYR A 37 -4.474 -8.096 0.830 1.00 63.53 C ATOM 520 CE2 TYR A 37 -2.963 -9.710 1.848 1.00 73.22 C ATOM 521 CZ TYR A 37 -3.926 -9.387 0.870 1.00 61.40 C ATOM 522 OH TYR A 37 -4.320 -10.352 -0.079 1.00 24.13 O ATOM 0 H TYR A 37 0.064 -6.461 3.942 1.00 55.22 H new ATOM 0 HA TYR A 37 -1.770 -5.479 1.896 1.00 70.30 H new ATOM 0 HB2 TYR A 37 -2.191 -6.822 4.572 1.00 30.34 H new ATOM 0 HB3 TYR A 37 -3.442 -5.747 3.981 1.00 30.34 H new ATOM 0 HD1 TYR A 37 -4.472 -6.132 1.705 1.00 54.43 H new ATOM 0 HD2 TYR A 37 -1.783 -8.983 3.505 1.00 52.30 H new ATOM 0 HE1 TYR A 37 -5.226 -7.852 0.095 1.00 63.53 H new ATOM 0 HE2 TYR A 37 -2.558 -10.710 1.895 1.00 73.22 H new ATOM 0 HH TYR A 37 -3.844 -11.191 0.091 1.00 24.13 H new ATOM 532 N VAL A 38 -2.373 -3.264 3.075 1.00 1.34 N ATOM 533 CA VAL A 38 -2.632 -2.006 3.703 1.00 32.13 C ATOM 534 C VAL A 38 -3.372 -2.321 4.969 1.00 2.24 C ATOM 535 O VAL A 38 -4.312 -3.126 4.978 1.00 14.42 O ATOM 536 CB VAL A 38 -3.461 -1.072 2.831 1.00 54.11 C ATOM 537 CG1 VAL A 38 -3.833 0.191 3.621 1.00 2.02 C ATOM 538 CG2 VAL A 38 -2.640 -0.754 1.560 1.00 22.31 C ATOM 0 H VAL A 38 -2.875 -3.403 2.198 1.00 1.34 H new ATOM 0 HA VAL A 38 -1.693 -1.483 3.887 1.00 32.13 H new ATOM 0 HB VAL A 38 -4.399 -1.540 2.533 1.00 54.11 H new ATOM 0 HG11 VAL A 38 -4.426 0.853 2.990 1.00 2.02 H new ATOM 0 HG12 VAL A 38 -4.413 -0.088 4.500 1.00 2.02 H new ATOM 0 HG13 VAL A 38 -2.924 0.705 3.934 1.00 2.02 H new ATOM 0 HG21 VAL A 38 -3.211 -0.085 0.916 1.00 22.31 H new ATOM 0 HG22 VAL A 38 -1.703 -0.273 1.843 1.00 22.31 H new ATOM 0 HG23 VAL A 38 -2.426 -1.679 1.024 1.00 22.31 H new ATOM 548 N LYS A 39 -2.901 -1.738 6.066 1.00 65.04 N ATOM 549 CA LYS A 39 -3.327 -2.112 7.372 1.00 44.03 C ATOM 550 C LYS A 39 -4.239 -1.047 7.852 1.00 22.43 C ATOM 551 O LYS A 39 -5.305 -1.324 8.389 1.00 11.44 O ATOM 552 CB LYS A 39 -2.124 -2.164 8.349 1.00 54.12 C ATOM 553 CG LYS A 39 -2.488 -2.587 9.778 1.00 71.22 C ATOM 554 CD LYS A 39 -1.302 -2.505 10.751 1.00 63.45 C ATOM 555 CE LYS A 39 -1.711 -2.683 12.219 1.00 21.34 C ATOM 556 NZ LYS A 39 -2.250 -4.036 12.465 1.00 4.31 N ATOM 0 H LYS A 39 -2.208 -0.989 6.053 1.00 65.04 H new ATOM 0 HA LYS A 39 -3.802 -3.092 7.334 1.00 44.03 H new ATOM 0 HB2 LYS A 39 -1.381 -2.858 7.955 1.00 54.12 H new ATOM 0 HB3 LYS A 39 -1.655 -1.180 8.382 1.00 54.12 H new ATOM 0 HG2 LYS A 39 -3.295 -1.952 10.144 1.00 71.22 H new ATOM 0 HG3 LYS A 39 -2.868 -3.609 9.763 1.00 71.22 H new ATOM 0 HD2 LYS A 39 -0.572 -3.270 10.489 1.00 63.45 H new ATOM 0 HD3 LYS A 39 -0.809 -1.540 10.632 1.00 63.45 H new ATOM 0 HE2 LYS A 39 -0.849 -2.510 12.863 1.00 21.34 H new ATOM 0 HE3 LYS A 39 -2.460 -1.937 12.483 1.00 21.34 H new ATOM 0 HZ1 LYS A 39 -2.518 -4.126 13.466 1.00 4.31 H new ATOM 0 HZ2 LYS A 39 -3.087 -4.190 11.867 1.00 4.31 H new ATOM 0 HZ3 LYS A 39 -1.525 -4.746 12.235 1.00 4.31 H new ATOM 570 N ALA A 40 -3.813 0.209 7.686 1.00 33.33 N ATOM 571 CA ALA A 40 -4.485 1.299 8.308 1.00 43.42 C ATOM 572 C ALA A 40 -4.478 2.387 7.325 1.00 74.22 C ATOM 573 O ALA A 40 -3.538 2.505 6.531 1.00 5.12 O ATOM 574 CB ALA A 40 -3.767 1.830 9.571 1.00 20.33 C ATOM 0 H ALA A 40 -3.005 0.472 7.122 1.00 33.33 H new ATOM 0 HA ALA A 40 -5.476 0.963 8.614 1.00 43.42 H new ATOM 0 HB1 ALA A 40 -4.336 2.659 9.991 1.00 20.33 H new ATOM 0 HB2 ALA A 40 -3.691 1.031 10.309 1.00 20.33 H new ATOM 0 HB3 ALA A 40 -2.768 2.174 9.304 1.00 20.33 H new ATOM 580 N VAL A 41 -5.530 3.204 7.356 1.00 51.42 N ATOM 581 CA VAL A 41 -5.591 4.383 6.566 1.00 11.25 C ATOM 582 C VAL A 41 -6.050 5.431 7.534 1.00 61.42 C ATOM 583 O VAL A 41 -7.034 5.223 8.252 1.00 73.54 O ATOM 584 CB VAL A 41 -6.601 4.297 5.415 1.00 42.31 C ATOM 585 CG1 VAL A 41 -6.526 5.595 4.582 1.00 4.21 C ATOM 586 CG2 VAL A 41 -6.282 3.034 4.578 1.00 3.23 C ATOM 0 H VAL A 41 -6.353 3.047 7.938 1.00 51.42 H new ATOM 0 HA VAL A 41 -4.628 4.578 6.094 1.00 11.25 H new ATOM 0 HB VAL A 41 -7.623 4.206 5.784 1.00 42.31 H new ATOM 0 HG11 VAL A 41 -7.241 5.542 3.761 1.00 4.21 H new ATOM 0 HG12 VAL A 41 -6.764 6.449 5.216 1.00 4.21 H new ATOM 0 HG13 VAL A 41 -5.520 5.711 4.180 1.00 4.21 H new ATOM 0 HG21 VAL A 41 -6.991 2.955 3.753 1.00 3.23 H new ATOM 0 HG22 VAL A 41 -5.270 3.107 4.181 1.00 3.23 H new ATOM 0 HG23 VAL A 41 -6.361 2.149 5.210 1.00 3.23 H new ATOM 596 N ILE A 42 -5.320 6.568 7.612 1.00 2.42 N ATOM 597 CA ILE A 42 -5.688 7.649 8.548 1.00 42.31 C ATOM 598 C ILE A 42 -7.028 8.163 8.082 1.00 22.31 C ATOM 599 O ILE A 42 -7.282 8.223 6.871 1.00 74.41 O ATOM 600 CB ILE A 42 -4.685 8.849 8.555 1.00 3.22 C ATOM 601 CG1 ILE A 42 -3.247 8.376 8.544 1.00 2.20 C ATOM 602 CG2 ILE A 42 -4.965 9.780 9.749 1.00 22.51 C ATOM 603 CD1 ILE A 42 -2.892 7.480 9.677 1.00 30.41 C ATOM 0 H ILE A 42 -4.490 6.756 7.050 1.00 2.42 H new ATOM 0 HA ILE A 42 -5.691 7.244 9.560 1.00 42.31 H new ATOM 0 HB ILE A 42 -4.837 9.419 7.639 1.00 3.22 H new ATOM 0 HG12 ILE A 42 -3.056 7.852 7.607 1.00 2.20 H new ATOM 0 HG13 ILE A 42 -2.590 9.245 8.563 1.00 2.20 H new ATOM 0 HG21 ILE A 42 -4.258 10.609 9.738 1.00 22.51 H new ATOM 0 HG22 ILE A 42 -5.981 10.169 9.677 1.00 22.51 H new ATOM 0 HG23 ILE A 42 -4.855 9.222 10.679 1.00 22.51 H new ATOM 0 HD11 ILE A 42 -1.845 7.187 9.595 1.00 30.41 H new ATOM 0 HD12 ILE A 42 -3.049 8.005 10.619 1.00 30.41 H new ATOM 0 HD13 ILE A 42 -3.521 6.591 9.648 1.00 30.41 H new ATOM 615 N PRO A 43 -7.901 8.566 9.026 1.00 71.34 N ATOM 616 CA PRO A 43 -9.072 9.340 8.703 1.00 42.45 C ATOM 617 C PRO A 43 -8.603 10.603 8.030 1.00 71.14 C ATOM 618 O PRO A 43 -7.941 11.425 8.677 1.00 1.22 O ATOM 619 CB PRO A 43 -9.773 9.610 10.049 1.00 13.52 C ATOM 620 CG PRO A 43 -8.685 9.356 11.115 1.00 73.14 C ATOM 621 CD PRO A 43 -7.789 8.297 10.464 1.00 14.32 C ATOM 0 HA PRO A 43 -9.768 8.845 8.026 1.00 42.45 H new ATOM 0 HB2 PRO A 43 -10.149 10.632 10.102 1.00 13.52 H new ATOM 0 HB3 PRO A 43 -10.628 8.949 10.190 1.00 13.52 H new ATOM 0 HG2 PRO A 43 -8.130 10.265 11.346 1.00 73.14 H new ATOM 0 HG3 PRO A 43 -9.115 8.998 12.051 1.00 73.14 H new ATOM 0 HD2 PRO A 43 -6.758 8.383 10.806 1.00 14.32 H new ATOM 0 HD3 PRO A 43 -8.123 7.288 10.708 1.00 14.32 H new ATOM 629 N GLN A 44 -8.906 10.725 6.741 1.00 41.40 N ATOM 630 CA GLN A 44 -8.506 11.837 5.930 1.00 15.21 C ATOM 631 C GLN A 44 -7.014 11.802 5.674 1.00 23.41 C ATOM 632 O GLN A 44 -6.413 12.843 5.461 1.00 2.12 O ATOM 633 CB GLN A 44 -8.905 13.238 6.471 1.00 71.11 C ATOM 634 CG GLN A 44 -10.414 13.386 6.723 1.00 71.13 C ATOM 635 CD GLN A 44 -10.678 14.817 7.156 1.00 70.15 C ATOM 636 OE1 GLN A 44 -11.235 15.618 6.396 1.00 34.21 O ATOM 637 NE2 GLN A 44 -10.266 15.161 8.383 1.00 45.51 N ATOM 0 H GLN A 44 -9.450 10.028 6.233 1.00 41.40 H new ATOM 0 HA GLN A 44 -9.065 11.709 5.003 1.00 15.21 H new ATOM 0 HB2 GLN A 44 -8.368 13.427 7.401 1.00 71.11 H new ATOM 0 HB3 GLN A 44 -8.586 13.999 5.759 1.00 71.11 H new ATOM 0 HG2 GLN A 44 -10.976 13.151 5.819 1.00 71.13 H new ATOM 0 HG3 GLN A 44 -10.742 12.688 7.493 1.00 71.13 H new ATOM 0 HE21 GLN A 44 -9.810 14.471 8.980 1.00 45.51 H new ATOM 0 HE22 GLN A 44 -10.408 16.113 8.720 1.00 45.51 H new ATOM 646 N GLY A 45 -6.366 10.603 5.636 1.00 4.42 N ATOM 647 CA GLY A 45 -5.003 10.540 5.106 1.00 74.23 C ATOM 648 C GLY A 45 -5.072 10.778 3.609 1.00 44.14 C ATOM 649 O GLY A 45 -6.157 10.826 3.029 1.00 5.44 O ATOM 0 H GLY A 45 -6.755 9.715 5.953 1.00 4.42 H new ATOM 0 HA2 GLY A 45 -4.373 11.291 5.583 1.00 74.23 H new ATOM 0 HA3 GLY A 45 -4.556 9.569 5.317 1.00 74.23 H new ATOM 653 N ALA A 46 -3.885 10.917 2.955 1.00 41.21 N ATOM 654 CA ALA A 46 -3.798 11.247 1.526 1.00 1.12 C ATOM 655 C ALA A 46 -4.491 10.161 0.735 1.00 3.24 C ATOM 656 O ALA A 46 -5.149 10.428 -0.266 1.00 11.00 O ATOM 657 CB ALA A 46 -2.325 11.360 1.008 1.00 11.31 C ATOM 0 H ALA A 46 -2.978 10.803 3.408 1.00 41.21 H new ATOM 0 HA ALA A 46 -4.271 12.220 1.394 1.00 1.12 H new ATOM 0 HB1 ALA A 46 -2.331 11.606 -0.054 1.00 11.31 H new ATOM 0 HB2 ALA A 46 -1.805 12.144 1.559 1.00 11.31 H new ATOM 0 HB3 ALA A 46 -1.813 10.410 1.158 1.00 11.31 H new ATOM 663 N ALA A 47 -4.367 8.900 1.217 1.00 22.01 N ATOM 664 CA ALA A 47 -4.975 7.740 0.563 1.00 24.20 C ATOM 665 C ALA A 47 -6.467 7.916 0.518 1.00 32.02 C ATOM 666 O ALA A 47 -7.081 7.730 -0.516 1.00 34.11 O ATOM 667 CB ALA A 47 -4.707 6.437 1.313 1.00 31.40 C ATOM 0 H ALA A 47 -3.845 8.671 2.063 1.00 22.01 H new ATOM 0 HA ALA A 47 -4.535 7.678 -0.432 1.00 24.20 H new ATOM 0 HB1 ALA A 47 -5.180 5.609 0.785 1.00 31.40 H new ATOM 0 HB2 ALA A 47 -3.632 6.264 1.370 1.00 31.40 H new ATOM 0 HB3 ALA A 47 -5.117 6.506 2.321 1.00 31.40 H new ATOM 673 N GLU A 48 -7.071 8.273 1.673 1.00 51.54 N ATOM 674 CA GLU A 48 -8.524 8.385 1.787 1.00 44.12 C ATOM 675 C GLU A 48 -9.010 9.464 0.847 1.00 71.13 C ATOM 676 O GLU A 48 -10.044 9.312 0.180 1.00 62.32 O ATOM 677 CB GLU A 48 -8.991 8.766 3.206 1.00 52.34 C ATOM 678 CG GLU A 48 -10.522 8.798 3.353 1.00 54.01 C ATOM 679 CD GLU A 48 -10.839 9.302 4.715 1.00 74.55 C ATOM 680 OE1 GLU A 48 -10.419 8.671 5.690 1.00 64.14 O ATOM 681 OE2 GLU A 48 -11.496 10.353 4.827 1.00 75.11 O ATOM 0 H GLU A 48 -6.566 8.486 2.533 1.00 51.54 H new ATOM 0 HA GLU A 48 -8.933 7.405 1.543 1.00 44.12 H new ATOM 0 HB2 GLU A 48 -8.579 8.053 3.920 1.00 52.34 H new ATOM 0 HB3 GLU A 48 -8.587 9.745 3.463 1.00 52.34 H new ATOM 0 HG2 GLU A 48 -10.965 9.444 2.595 1.00 54.01 H new ATOM 0 HG3 GLU A 48 -10.940 7.802 3.208 1.00 54.01 H new ATOM 688 N SER A 49 -8.257 10.573 0.774 1.00 41.22 N ATOM 689 CA SER A 49 -8.633 11.709 -0.036 1.00 50.41 C ATOM 690 C SER A 49 -8.585 11.290 -1.484 1.00 55.21 C ATOM 691 O SER A 49 -9.465 11.626 -2.270 1.00 5.00 O ATOM 692 CB SER A 49 -7.652 12.878 0.154 1.00 20.53 C ATOM 693 OG SER A 49 -7.582 13.223 1.538 1.00 41.04 O ATOM 0 H SER A 49 -7.378 10.693 1.277 1.00 41.22 H new ATOM 0 HA SER A 49 -9.630 12.035 0.260 1.00 50.41 H new ATOM 0 HB2 SER A 49 -6.664 12.600 -0.213 1.00 20.53 H new ATOM 0 HB3 SER A 49 -7.978 13.739 -0.430 1.00 20.53 H new ATOM 0 HG SER A 49 -6.849 13.858 1.680 1.00 41.04 H new ATOM 699 N ASP A 50 -7.538 10.520 -1.854 1.00 4.22 N ATOM 700 CA ASP A 50 -7.369 10.053 -3.233 1.00 3.23 C ATOM 701 C ASP A 50 -8.506 9.102 -3.537 1.00 43.23 C ATOM 702 O ASP A 50 -9.122 9.144 -4.605 1.00 40.41 O ATOM 703 CB ASP A 50 -6.039 9.296 -3.456 1.00 74.40 C ATOM 704 CG ASP A 50 -5.773 9.236 -4.945 1.00 44.25 C ATOM 705 OD1 ASP A 50 -5.568 10.318 -5.550 1.00 30.31 O ATOM 706 OD2 ASP A 50 -5.763 8.138 -5.509 1.00 42.52 O ATOM 0 H ASP A 50 -6.805 10.214 -1.215 1.00 4.22 H new ATOM 0 HA ASP A 50 -7.362 10.927 -3.884 1.00 3.23 H new ATOM 0 HB2 ASP A 50 -5.222 9.804 -2.944 1.00 74.40 H new ATOM 0 HB3 ASP A 50 -6.100 8.290 -3.040 1.00 74.40 H new ATOM 711 N GLY A 51 -8.835 8.259 -2.546 1.00 30.44 N ATOM 712 CA GLY A 51 -10.000 7.398 -2.608 1.00 34.23 C ATOM 713 C GLY A 51 -9.695 6.145 -3.357 1.00 31.31 C ATOM 714 O GLY A 51 -10.507 5.240 -3.384 1.00 74.22 O ATOM 0 H GLY A 51 -8.295 8.164 -1.686 1.00 30.44 H new ATOM 0 HA2 GLY A 51 -10.330 7.152 -1.599 1.00 34.23 H new ATOM 0 HA3 GLY A 51 -10.822 7.925 -3.092 1.00 34.23 H new ATOM 718 N ARG A 52 -8.535 6.079 -4.025 1.00 63.33 N ATOM 719 CA ARG A 52 -8.217 4.914 -4.827 1.00 54.13 C ATOM 720 C ARG A 52 -7.691 3.849 -3.915 1.00 13.53 C ATOM 721 O ARG A 52 -8.017 2.687 -4.085 1.00 13.12 O ATOM 722 CB ARG A 52 -7.179 5.181 -5.955 1.00 3.11 C ATOM 723 CG ARG A 52 -7.798 5.830 -7.223 1.00 13.54 C ATOM 724 CD ARG A 52 -8.469 7.203 -6.991 1.00 31.33 C ATOM 725 NE ARG A 52 -9.181 7.600 -8.251 1.00 73.44 N ATOM 726 CZ ARG A 52 -9.960 8.742 -8.307 1.00 4.44 C ATOM 727 NH1 ARG A 52 -10.042 9.581 -7.228 1.00 13.12 N ATOM 728 NH2 ARG A 52 -10.646 9.028 -9.444 1.00 35.22 N ATOM 0 H ARG A 52 -7.821 6.808 -4.021 1.00 63.33 H new ATOM 0 HA ARG A 52 -9.135 4.610 -5.330 1.00 54.13 H new ATOM 0 HB2 ARG A 52 -6.394 5.832 -5.569 1.00 3.11 H new ATOM 0 HB3 ARG A 52 -6.705 4.239 -6.232 1.00 3.11 H new ATOM 0 HG2 ARG A 52 -7.015 5.947 -7.972 1.00 13.54 H new ATOM 0 HG3 ARG A 52 -8.538 5.146 -7.639 1.00 13.54 H new ATOM 0 HD2 ARG A 52 -9.172 7.146 -6.160 1.00 31.33 H new ATOM 0 HD3 ARG A 52 -7.722 7.951 -6.726 1.00 31.33 H new ATOM 0 HE ARG A 52 -9.089 7.016 -9.082 1.00 73.44 H new ATOM 0 HH11 ARG A 52 -9.526 9.366 -6.375 1.00 13.12 H new ATOM 0 HH12 ARG A 52 -10.619 10.421 -7.278 1.00 13.12 H new ATOM 0 HH21 ARG A 52 -10.584 8.403 -10.248 1.00 35.22 H new ATOM 0 HH22 ARG A 52 -11.223 9.868 -9.494 1.00 35.22 H new ATOM 742 N ILE A 53 -6.865 4.226 -2.926 1.00 22.11 N ATOM 743 CA ILE A 53 -6.279 3.246 -2.036 1.00 21.34 C ATOM 744 C ILE A 53 -7.185 3.153 -0.829 1.00 73.32 C ATOM 745 O ILE A 53 -7.722 4.168 -0.367 1.00 22.45 O ATOM 746 CB ILE A 53 -4.870 3.623 -1.595 1.00 73.14 C ATOM 747 CG1 ILE A 53 -3.986 3.851 -2.845 1.00 53.14 C ATOM 748 CG2 ILE A 53 -4.308 2.528 -0.641 1.00 21.54 C ATOM 749 CD1 ILE A 53 -2.564 4.268 -2.513 1.00 62.41 C ATOM 0 H ILE A 53 -6.599 5.192 -2.734 1.00 22.11 H new ATOM 0 HA ILE A 53 -6.191 2.293 -2.558 1.00 21.34 H new ATOM 0 HB ILE A 53 -4.879 4.556 -1.032 1.00 73.14 H new ATOM 0 HG12 ILE A 53 -3.959 2.934 -3.434 1.00 53.14 H new ATOM 0 HG13 ILE A 53 -4.445 4.617 -3.470 1.00 53.14 H new ATOM 0 HG21 ILE A 53 -3.300 2.801 -0.328 1.00 21.54 H new ATOM 0 HG22 ILE A 53 -4.950 2.444 0.236 1.00 21.54 H new ATOM 0 HG23 ILE A 53 -4.279 1.571 -1.162 1.00 21.54 H new ATOM 0 HD11 ILE A 53 -2.002 4.410 -3.436 1.00 62.41 H new ATOM 0 HD12 ILE A 53 -2.581 5.202 -1.951 1.00 62.41 H new ATOM 0 HD13 ILE A 53 -2.088 3.492 -1.914 1.00 62.41 H new ATOM 761 N HIS A 54 -7.384 1.923 -0.314 1.00 70.31 N ATOM 762 CA HIS A 54 -8.187 1.721 0.865 1.00 43.15 C ATOM 763 C HIS A 54 -7.486 0.675 1.668 1.00 33.53 C ATOM 764 O HIS A 54 -6.503 0.086 1.225 1.00 20.24 O ATOM 765 CB HIS A 54 -9.608 1.167 0.568 1.00 1.43 C ATOM 766 CG HIS A 54 -10.410 2.042 -0.340 1.00 52.22 C ATOM 767 ND1 HIS A 54 -10.836 3.298 0.019 1.00 11.45 N ATOM 768 CD2 HIS A 54 -10.828 1.821 -1.599 1.00 65.24 C ATOM 769 CE1 HIS A 54 -11.494 3.817 -1.011 1.00 54.22 C ATOM 770 NE2 HIS A 54 -11.497 2.931 -2.002 1.00 71.45 N ATOM 0 H HIS A 54 -6.992 1.069 -0.710 1.00 70.31 H new ATOM 0 HA HIS A 54 -8.305 2.684 1.361 1.00 43.15 H new ATOM 0 HB2 HIS A 54 -9.517 0.178 0.120 1.00 1.43 H new ATOM 0 HB3 HIS A 54 -10.145 1.043 1.508 1.00 1.43 H new ATOM 0 HD2 HIS A 54 -10.662 0.927 -2.181 1.00 65.24 H new ATOM 0 HE1 HIS A 54 -11.950 4.795 -1.039 1.00 54.22 H new ATOM 0 HE2 HIS A 54 -11.931 3.064 -2.916 1.00 71.45 H new ATOM 779 N LYS A 55 -8.006 0.395 2.881 1.00 74.42 N ATOM 780 CA LYS A 55 -7.543 -0.727 3.679 1.00 41.13 C ATOM 781 C LYS A 55 -7.938 -1.967 2.926 1.00 23.02 C ATOM 782 O LYS A 55 -8.991 -1.992 2.291 1.00 65.51 O ATOM 783 CB LYS A 55 -8.196 -0.743 5.114 1.00 25.14 C ATOM 784 CG LYS A 55 -7.852 -1.953 6.029 1.00 32.13 C ATOM 785 CD LYS A 55 -8.792 -3.179 5.844 1.00 32.43 C ATOM 786 CE LYS A 55 -8.447 -4.384 6.744 1.00 1.01 C ATOM 787 NZ LYS A 55 -8.630 -4.062 8.177 1.00 33.34 N ATOM 0 H LYS A 55 -8.749 0.941 3.318 1.00 74.42 H new ATOM 0 HA LYS A 55 -6.466 -0.659 3.831 1.00 41.13 H new ATOM 0 HB2 LYS A 55 -7.900 0.169 5.632 1.00 25.14 H new ATOM 0 HB3 LYS A 55 -9.279 -0.705 4.995 1.00 25.14 H new ATOM 0 HG2 LYS A 55 -6.826 -2.263 5.832 1.00 32.13 H new ATOM 0 HG3 LYS A 55 -7.894 -1.631 7.070 1.00 32.13 H new ATOM 0 HD2 LYS A 55 -9.817 -2.870 6.047 1.00 32.43 H new ATOM 0 HD3 LYS A 55 -8.755 -3.496 4.802 1.00 32.43 H new ATOM 0 HE2 LYS A 55 -9.079 -5.231 6.477 1.00 1.01 H new ATOM 0 HE3 LYS A 55 -7.415 -4.688 6.567 1.00 1.01 H new ATOM 0 HZ1 LYS A 55 -8.439 -4.908 8.750 1.00 33.34 H new ATOM 0 HZ2 LYS A 55 -7.972 -3.304 8.449 1.00 33.34 H new ATOM 0 HZ3 LYS A 55 -9.608 -3.747 8.340 1.00 33.34 H new ATOM 801 N GLY A 56 -7.098 -3.026 2.946 1.00 74.52 N ATOM 802 CA GLY A 56 -7.484 -4.273 2.304 1.00 53.04 C ATOM 803 C GLY A 56 -6.738 -4.373 1.019 1.00 64.33 C ATOM 804 O GLY A 56 -6.662 -5.439 0.419 1.00 5.22 O ATOM 0 H GLY A 56 -6.179 -3.032 3.389 1.00 74.52 H new ATOM 0 HA2 GLY A 56 -7.252 -5.122 2.947 1.00 53.04 H new ATOM 0 HA3 GLY A 56 -8.559 -4.293 2.124 1.00 53.04 H new ATOM 808 N ASP A 57 -6.159 -3.245 0.567 1.00 31.32 N ATOM 809 CA ASP A 57 -5.401 -3.230 -0.668 1.00 24.22 C ATOM 810 C ASP A 57 -4.104 -3.882 -0.376 1.00 51.34 C ATOM 811 O ASP A 57 -3.611 -3.808 0.740 1.00 22.34 O ATOM 812 CB ASP A 57 -5.103 -1.793 -1.176 1.00 52.31 C ATOM 813 CG ASP A 57 -6.352 -1.231 -1.816 1.00 14.52 C ATOM 814 OD1 ASP A 57 -7.288 -2.004 -2.106 1.00 12.23 O ATOM 815 OD2 ASP A 57 -6.411 -0.015 -2.033 1.00 5.14 O ATOM 0 H ASP A 57 -6.209 -2.345 1.045 1.00 31.32 H new ATOM 0 HA ASP A 57 -5.982 -3.736 -1.439 1.00 24.22 H new ATOM 0 HB2 ASP A 57 -4.786 -1.159 -0.348 1.00 52.31 H new ATOM 0 HB3 ASP A 57 -4.285 -1.810 -1.896 1.00 52.31 H new ATOM 820 N ARG A 58 -3.536 -4.577 -1.366 1.00 43.14 N ATOM 821 CA ARG A 58 -2.295 -5.271 -1.165 1.00 70.15 C ATOM 822 C ARG A 58 -1.294 -4.508 -1.955 1.00 30.54 C ATOM 823 O ARG A 58 -1.439 -4.378 -3.145 1.00 55.52 O ATOM 824 CB ARG A 58 -2.360 -6.742 -1.686 1.00 3.44 C ATOM 825 CG ARG A 58 -1.209 -7.653 -1.228 1.00 4.32 C ATOM 826 CD ARG A 58 0.061 -7.577 -2.091 1.00 41.44 C ATOM 827 NE ARG A 58 -0.225 -8.212 -3.429 1.00 12.42 N ATOM 828 CZ ARG A 58 0.786 -8.782 -4.190 1.00 52.12 C ATOM 829 NH1 ARG A 58 2.096 -8.724 -3.772 1.00 14.31 N ATOM 830 NH2 ARG A 58 0.474 -9.406 -5.361 1.00 61.11 N ATOM 0 H ARG A 58 -3.926 -4.664 -2.304 1.00 43.14 H new ATOM 0 HA ARG A 58 -2.050 -5.329 -0.104 1.00 70.15 H new ATOM 0 HB2 ARG A 58 -3.302 -7.184 -1.361 1.00 3.44 H new ATOM 0 HB3 ARG A 58 -2.375 -6.724 -2.776 1.00 3.44 H new ATOM 0 HG2 ARG A 58 -0.949 -7.396 -0.201 1.00 4.32 H new ATOM 0 HG3 ARG A 58 -1.563 -8.684 -1.219 1.00 4.32 H new ATOM 0 HD2 ARG A 58 0.367 -6.539 -2.223 1.00 41.44 H new ATOM 0 HD3 ARG A 58 0.885 -8.092 -1.597 1.00 41.44 H new ATOM 0 HE ARG A 58 -1.182 -8.223 -3.782 1.00 12.42 H new ATOM 0 HH11 ARG A 58 2.331 -8.259 -2.895 1.00 14.31 H new ATOM 0 HH12 ARG A 58 2.831 -9.146 -4.339 1.00 14.31 H new ATOM 0 HH21 ARG A 58 -0.496 -9.451 -5.672 1.00 61.11 H new ATOM 0 HH22 ARG A 58 1.211 -9.828 -5.926 1.00 61.11 H new ATOM 844 N VAL A 59 -0.261 -3.953 -1.302 1.00 74.24 N ATOM 845 CA VAL A 59 0.713 -3.154 -2.002 1.00 34.44 C ATOM 846 C VAL A 59 1.765 -4.124 -2.459 1.00 23.32 C ATOM 847 O VAL A 59 2.214 -4.970 -1.684 1.00 24.41 O ATOM 848 CB VAL A 59 1.382 -2.081 -1.132 1.00 31.24 C ATOM 849 CG1 VAL A 59 2.117 -1.067 -2.056 1.00 71.44 C ATOM 850 CG2 VAL A 59 0.304 -1.413 -0.249 1.00 30.12 C ATOM 0 H VAL A 59 -0.094 -4.051 -0.301 1.00 74.24 H new ATOM 0 HA VAL A 59 0.217 -2.614 -2.808 1.00 34.44 H new ATOM 0 HB VAL A 59 2.128 -2.515 -0.467 1.00 31.24 H new ATOM 0 HG11 VAL A 59 2.596 -0.300 -1.447 1.00 71.44 H new ATOM 0 HG12 VAL A 59 2.873 -1.590 -2.641 1.00 71.44 H new ATOM 0 HG13 VAL A 59 1.397 -0.599 -2.728 1.00 71.44 H new ATOM 0 HG21 VAL A 59 0.767 -0.648 0.374 1.00 30.12 H new ATOM 0 HG22 VAL A 59 -0.453 -0.954 -0.884 1.00 30.12 H new ATOM 0 HG23 VAL A 59 -0.163 -2.165 0.387 1.00 30.12 H new ATOM 860 N LEU A 60 2.154 -4.056 -3.725 1.00 15.31 N ATOM 861 CA LEU A 60 3.174 -4.962 -4.218 1.00 35.25 C ATOM 862 C LEU A 60 4.429 -4.174 -4.339 1.00 33.40 C ATOM 863 O LEU A 60 5.481 -4.584 -3.838 1.00 73.32 O ATOM 864 CB LEU A 60 2.873 -5.660 -5.584 1.00 12.52 C ATOM 865 CG LEU A 60 2.145 -4.811 -6.638 1.00 24.10 C ATOM 866 CD1 LEU A 60 2.510 -5.231 -8.052 1.00 42.12 C ATOM 867 CD2 LEU A 60 0.634 -4.820 -6.436 1.00 3.32 C ATOM 0 H LEU A 60 1.787 -3.398 -4.413 1.00 15.31 H new ATOM 0 HA LEU A 60 3.234 -5.783 -3.504 1.00 35.25 H new ATOM 0 HB2 LEU A 60 3.817 -5.998 -6.010 1.00 12.52 H new ATOM 0 HB3 LEU A 60 2.274 -6.550 -5.389 1.00 12.52 H new ATOM 0 HG LEU A 60 2.486 -3.785 -6.500 1.00 24.10 H new ATOM 0 HD11 LEU A 60 1.974 -4.606 -8.767 1.00 42.12 H new ATOM 0 HD12 LEU A 60 3.583 -5.114 -8.201 1.00 42.12 H new ATOM 0 HD13 LEU A 60 2.235 -6.275 -8.204 1.00 42.12 H new ATOM 0 HD21 LEU A 60 0.161 -4.207 -7.203 1.00 3.32 H new ATOM 0 HD22 LEU A 60 0.263 -5.842 -6.508 1.00 3.32 H new ATOM 0 HD23 LEU A 60 0.396 -4.417 -5.452 1.00 3.32 H new ATOM 879 N ALA A 61 4.349 -3.024 -5.006 1.00 73.33 N ATOM 880 CA ALA A 61 5.536 -2.278 -5.269 1.00 12.23 C ATOM 881 C ALA A 61 5.326 -0.877 -4.875 1.00 24.51 C ATOM 882 O ALA A 61 4.208 -0.420 -4.642 1.00 3.52 O ATOM 883 CB ALA A 61 5.949 -2.279 -6.749 1.00 11.11 C ATOM 0 H ALA A 61 3.486 -2.611 -5.360 1.00 73.33 H new ATOM 0 HA ALA A 61 6.328 -2.759 -4.696 1.00 12.23 H new ATOM 0 HB1 ALA A 61 6.859 -1.692 -6.873 1.00 11.11 H new ATOM 0 HB2 ALA A 61 6.130 -3.303 -7.076 1.00 11.11 H new ATOM 0 HB3 ALA A 61 5.151 -1.842 -7.350 1.00 11.11 H new ATOM 889 N VAL A 62 6.455 -0.180 -4.816 1.00 74.50 N ATOM 890 CA VAL A 62 6.497 1.206 -4.520 1.00 12.11 C ATOM 891 C VAL A 62 7.536 1.730 -5.440 1.00 22.51 C ATOM 892 O VAL A 62 8.702 1.429 -5.293 1.00 13.21 O ATOM 893 CB VAL A 62 6.885 1.550 -3.086 1.00 12.15 C ATOM 894 CG1 VAL A 62 6.857 3.096 -2.926 1.00 13.40 C ATOM 895 CG2 VAL A 62 5.902 0.828 -2.132 1.00 34.35 C ATOM 0 H VAL A 62 7.374 -0.592 -4.979 1.00 74.50 H new ATOM 0 HA VAL A 62 5.502 1.635 -4.640 1.00 12.11 H new ATOM 0 HB VAL A 62 7.892 1.214 -2.840 1.00 12.15 H new ATOM 0 HG11 VAL A 62 7.132 3.361 -1.905 1.00 13.40 H new ATOM 0 HG12 VAL A 62 7.565 3.547 -3.621 1.00 13.40 H new ATOM 0 HG13 VAL A 62 5.854 3.466 -3.139 1.00 13.40 H new ATOM 0 HG21 VAL A 62 6.161 1.060 -1.099 1.00 34.35 H new ATOM 0 HG22 VAL A 62 4.885 1.164 -2.335 1.00 34.35 H new ATOM 0 HG23 VAL A 62 5.967 -0.249 -2.289 1.00 34.35 H new ATOM 905 N ASN A 63 7.094 2.493 -6.435 1.00 13.53 N ATOM 906 CA ASN A 63 7.944 3.083 -7.471 1.00 20.20 C ATOM 907 C ASN A 63 8.906 2.052 -8.063 1.00 14.54 C ATOM 908 O ASN A 63 10.056 2.355 -8.379 1.00 45.45 O ATOM 909 CB ASN A 63 8.718 4.354 -7.015 1.00 41.52 C ATOM 910 CG ASN A 63 9.154 5.125 -8.261 1.00 54.43 C ATOM 911 OD1 ASN A 63 8.355 5.322 -9.181 1.00 75.43 O ATOM 912 ND2 ASN A 63 10.421 5.567 -8.308 1.00 62.51 N ATOM 0 H ASN A 63 6.108 2.726 -6.549 1.00 13.53 H new ATOM 0 HA ASN A 63 7.253 3.413 -8.247 1.00 20.20 H new ATOM 0 HB2 ASN A 63 8.085 4.978 -6.385 1.00 41.52 H new ATOM 0 HB3 ASN A 63 9.586 4.076 -6.418 1.00 41.52 H new ATOM 0 HD21 ASN A 63 10.751 6.084 -9.123 1.00 62.51 H new ATOM 0 HD22 ASN A 63 11.054 5.386 -7.529 1.00 62.51 H new ATOM 919 N GLY A 64 8.421 0.822 -8.274 1.00 4.11 N ATOM 920 CA GLY A 64 9.194 -0.180 -8.977 1.00 43.30 C ATOM 921 C GLY A 64 10.035 -0.953 -8.021 1.00 42.10 C ATOM 922 O GLY A 64 10.833 -1.777 -8.442 1.00 33.32 O ATOM 0 H GLY A 64 7.501 0.509 -7.965 1.00 4.11 H new ATOM 0 HA2 GLY A 64 8.526 -0.855 -9.511 1.00 43.30 H new ATOM 0 HA3 GLY A 64 9.828 0.298 -9.724 1.00 43.30 H new ATOM 926 N VAL A 65 9.874 -0.741 -6.702 1.00 5.03 N ATOM 927 CA VAL A 65 10.670 -1.461 -5.767 1.00 31.11 C ATOM 928 C VAL A 65 9.798 -2.568 -5.322 1.00 35.31 C ATOM 929 O VAL A 65 8.726 -2.334 -4.774 1.00 1.35 O ATOM 930 CB VAL A 65 11.092 -0.640 -4.558 1.00 75.21 C ATOM 931 CG1 VAL A 65 11.887 -1.544 -3.581 1.00 5.45 C ATOM 932 CG2 VAL A 65 11.907 0.573 -5.067 1.00 2.44 C ATOM 0 H VAL A 65 9.208 -0.086 -6.293 1.00 5.03 H new ATOM 0 HA VAL A 65 11.602 -1.778 -6.236 1.00 31.11 H new ATOM 0 HB VAL A 65 10.235 -0.259 -4.003 1.00 75.21 H new ATOM 0 HG11 VAL A 65 12.192 -0.961 -2.712 1.00 5.45 H new ATOM 0 HG12 VAL A 65 11.257 -2.373 -3.258 1.00 5.45 H new ATOM 0 HG13 VAL A 65 12.771 -1.935 -4.085 1.00 5.45 H new ATOM 0 HG21 VAL A 65 12.223 1.181 -4.219 1.00 2.44 H new ATOM 0 HG22 VAL A 65 12.785 0.220 -5.608 1.00 2.44 H new ATOM 0 HG23 VAL A 65 11.288 1.174 -5.733 1.00 2.44 H new ATOM 942 N SER A 66 10.222 -3.807 -5.591 1.00 32.42 N ATOM 943 CA SER A 66 9.468 -4.946 -5.169 1.00 31.03 C ATOM 944 C SER A 66 9.556 -5.021 -3.663 1.00 73.21 C ATOM 945 O SER A 66 10.627 -5.266 -3.093 1.00 43.21 O ATOM 946 CB SER A 66 9.975 -6.267 -5.788 1.00 52.51 C ATOM 947 OG SER A 66 9.907 -6.175 -7.223 1.00 13.42 O ATOM 0 H SER A 66 11.080 -4.025 -6.097 1.00 32.42 H new ATOM 0 HA SER A 66 8.439 -4.824 -5.508 1.00 31.03 H new ATOM 0 HB2 SER A 66 11.000 -6.460 -5.472 1.00 52.51 H new ATOM 0 HB3 SER A 66 9.370 -7.103 -5.436 1.00 52.51 H new ATOM 0 HG SER A 66 10.230 -7.011 -7.620 1.00 13.42 H new ATOM 953 N LEU A 67 8.420 -4.762 -3.000 1.00 61.14 N ATOM 954 CA LEU A 67 8.351 -4.807 -1.550 1.00 12.11 C ATOM 955 C LEU A 67 8.094 -6.224 -1.121 1.00 42.55 C ATOM 956 O LEU A 67 8.149 -6.519 0.059 1.00 43.11 O ATOM 957 CB LEU A 67 7.213 -3.929 -0.958 1.00 14.32 C ATOM 958 CG LEU A 67 7.702 -2.587 -0.380 1.00 62.42 C ATOM 959 CD1 LEU A 67 8.566 -2.780 0.880 1.00 3.51 C ATOM 960 CD2 LEU A 67 8.379 -1.685 -1.414 1.00 55.12 C ATOM 0 H LEU A 67 7.540 -4.520 -3.455 1.00 61.14 H new ATOM 0 HA LEU A 67 9.301 -4.421 -1.181 1.00 12.11 H new ATOM 0 HB2 LEU A 67 6.476 -3.732 -1.737 1.00 14.32 H new ATOM 0 HB3 LEU A 67 6.705 -4.489 -0.173 1.00 14.32 H new ATOM 0 HG LEU A 67 6.802 -2.053 -0.075 1.00 62.42 H new ATOM 0 HD11 LEU A 67 8.888 -1.808 1.253 1.00 3.51 H new ATOM 0 HD12 LEU A 67 7.982 -3.287 1.648 1.00 3.51 H new ATOM 0 HD13 LEU A 67 9.441 -3.382 0.633 1.00 3.51 H new ATOM 0 HD21 LEU A 67 8.697 -0.759 -0.936 1.00 55.12 H new ATOM 0 HD22 LEU A 67 9.248 -2.196 -1.829 1.00 55.12 H new ATOM 0 HD23 LEU A 67 7.675 -1.457 -2.214 1.00 55.12 H new ATOM 972 N GLU A 68 7.810 -7.155 -2.068 1.00 3.51 N ATOM 973 CA GLU A 68 7.561 -8.538 -1.670 1.00 51.11 C ATOM 974 C GLU A 68 8.827 -9.086 -1.032 1.00 25.32 C ATOM 975 O GLU A 68 9.937 -8.713 -1.401 1.00 55.33 O ATOM 976 CB GLU A 68 7.080 -9.494 -2.801 1.00 23.14 C ATOM 977 CG GLU A 68 8.086 -9.712 -3.945 1.00 11.45 C ATOM 978 CD GLU A 68 7.489 -10.733 -4.884 1.00 53.24 C ATOM 979 OE1 GLU A 68 6.547 -10.389 -5.619 1.00 12.02 O ATOM 980 OE2 GLU A 68 7.930 -11.897 -4.863 1.00 44.41 O ATOM 0 H GLU A 68 7.752 -6.971 -3.070 1.00 3.51 H new ATOM 0 HA GLU A 68 6.724 -8.505 -0.972 1.00 51.11 H new ATOM 0 HB2 GLU A 68 6.840 -10.461 -2.360 1.00 23.14 H new ATOM 0 HB3 GLU A 68 6.156 -9.098 -3.222 1.00 23.14 H new ATOM 0 HG2 GLU A 68 8.280 -8.776 -4.469 1.00 11.45 H new ATOM 0 HG3 GLU A 68 9.041 -10.062 -3.554 1.00 11.45 H new ATOM 987 N GLY A 69 8.665 -9.932 -0.016 1.00 24.12 N ATOM 988 CA GLY A 69 9.805 -10.483 0.701 1.00 1.23 C ATOM 989 C GLY A 69 10.258 -9.540 1.796 1.00 41.33 C ATOM 990 O GLY A 69 10.808 -9.986 2.791 1.00 5.15 O ATOM 0 H GLY A 69 7.757 -10.248 0.326 1.00 24.12 H new ATOM 0 HA2 GLY A 69 9.537 -11.447 1.133 1.00 1.23 H new ATOM 0 HA3 GLY A 69 10.626 -10.662 0.006 1.00 1.23 H new ATOM 994 N ALA A 70 10.088 -8.199 1.609 1.00 2.54 N ATOM 995 CA ALA A 70 10.586 -7.222 2.584 1.00 43.12 C ATOM 996 C ALA A 70 9.818 -7.368 3.863 1.00 42.22 C ATOM 997 O ALA A 70 8.784 -8.022 3.912 1.00 32.43 O ATOM 998 CB ALA A 70 10.473 -5.754 2.121 1.00 65.42 C ATOM 0 H ALA A 70 9.617 -7.790 0.802 1.00 2.54 H new ATOM 0 HA ALA A 70 11.647 -7.438 2.712 1.00 43.12 H new ATOM 0 HB1 ALA A 70 10.862 -5.096 2.898 1.00 65.42 H new ATOM 0 HB2 ALA A 70 11.049 -5.616 1.206 1.00 65.42 H new ATOM 0 HB3 ALA A 70 9.427 -5.512 1.931 1.00 65.42 H new ATOM 1004 N THR A 71 10.347 -6.776 4.943 1.00 30.14 N ATOM 1005 CA THR A 71 9.718 -6.893 6.221 1.00 14.40 C ATOM 1006 C THR A 71 8.630 -5.848 6.296 1.00 33.22 C ATOM 1007 O THR A 71 8.574 -4.910 5.485 1.00 12.35 O ATOM 1008 CB THR A 71 10.688 -6.730 7.383 1.00 61.25 C ATOM 1009 OG1 THR A 71 11.445 -5.525 7.252 1.00 73.42 O ATOM 1010 CG2 THR A 71 11.648 -7.937 7.364 1.00 1.35 C ATOM 0 H THR A 71 11.202 -6.220 4.935 1.00 30.14 H new ATOM 0 HA THR A 71 9.310 -7.900 6.314 1.00 14.40 H new ATOM 0 HB THR A 71 10.132 -6.680 8.319 1.00 61.25 H new ATOM 0 HG1 THR A 71 12.060 -5.441 8.010 1.00 73.42 H new ATOM 0 HG21 THR A 71 12.358 -7.850 8.187 1.00 1.35 H new ATOM 0 HG22 THR A 71 11.076 -8.858 7.474 1.00 1.35 H new ATOM 0 HG23 THR A 71 12.189 -7.956 6.418 1.00 1.35 H new ATOM 1018 N HIS A 72 7.726 -6.015 7.277 1.00 70.32 N ATOM 1019 CA HIS A 72 6.610 -5.127 7.419 1.00 75.15 C ATOM 1020 C HIS A 72 7.125 -3.769 7.802 1.00 14.55 C ATOM 1021 O HIS A 72 6.622 -2.770 7.320 1.00 35.12 O ATOM 1022 CB HIS A 72 5.526 -5.592 8.418 1.00 73.12 C ATOM 1023 CG HIS A 72 5.922 -5.557 9.873 1.00 34.51 C ATOM 1024 ND1 HIS A 72 5.617 -4.501 10.698 1.00 22.12 N ATOM 1025 CD2 HIS A 72 6.536 -6.483 10.625 1.00 23.23 C ATOM 1026 CE1 HIS A 72 6.050 -4.787 11.916 1.00 63.11 C ATOM 1027 NE2 HIS A 72 6.605 -5.988 11.895 1.00 62.42 N ATOM 0 H HIS A 72 7.765 -6.762 7.971 1.00 70.32 H new ATOM 0 HA HIS A 72 6.104 -5.107 6.454 1.00 75.15 H new ATOM 0 HB2 HIS A 72 4.643 -4.967 8.285 1.00 73.12 H new ATOM 0 HB3 HIS A 72 5.236 -6.611 8.163 1.00 73.12 H new ATOM 0 HD2 HIS A 72 6.906 -7.440 10.289 1.00 23.23 H new ATOM 0 HE1 HIS A 72 5.965 -4.147 12.782 1.00 63.11 H new ATOM 0 HE2 HIS A 72 7.017 -6.466 12.697 1.00 62.42 H new ATOM 1036 N LYS A 73 8.190 -3.698 8.671 1.00 42.12 N ATOM 1037 CA LYS A 73 8.759 -2.397 9.012 1.00 22.42 C ATOM 1038 C LYS A 73 9.236 -1.690 7.760 1.00 35.42 C ATOM 1039 O LYS A 73 9.003 -0.508 7.617 1.00 61.54 O ATOM 1040 CB LYS A 73 9.904 -2.383 10.071 1.00 61.42 C ATOM 1041 CG LYS A 73 11.233 -3.054 9.640 1.00 24.21 C ATOM 1042 CD LYS A 73 12.418 -2.713 10.559 1.00 12.55 C ATOM 1043 CE LYS A 73 12.834 -1.224 10.497 1.00 14.13 C ATOM 1044 NZ LYS A 73 13.994 -0.960 11.370 1.00 40.23 N ATOM 0 H LYS A 73 8.636 -4.500 9.116 1.00 42.12 H new ATOM 0 HA LYS A 73 7.930 -1.875 9.491 1.00 22.42 H new ATOM 0 HB2 LYS A 73 10.113 -1.347 10.339 1.00 61.42 H new ATOM 0 HB3 LYS A 73 9.545 -2.879 10.973 1.00 61.42 H new ATOM 0 HG2 LYS A 73 11.096 -4.135 9.623 1.00 24.21 H new ATOM 0 HG3 LYS A 73 11.473 -2.747 8.622 1.00 24.21 H new ATOM 0 HD2 LYS A 73 12.157 -2.967 11.586 1.00 12.55 H new ATOM 0 HD3 LYS A 73 13.271 -3.333 10.284 1.00 12.55 H new ATOM 0 HE2 LYS A 73 13.079 -0.954 9.470 1.00 14.13 H new ATOM 0 HE3 LYS A 73 11.996 -0.596 10.800 1.00 14.13 H new ATOM 0 HZ1 LYS A 73 14.252 0.046 11.310 1.00 40.23 H new ATOM 0 HZ2 LYS A 73 13.750 -1.196 12.353 1.00 40.23 H new ATOM 0 HZ3 LYS A 73 14.799 -1.543 11.064 1.00 40.23 H new ATOM 1058 N GLN A 74 9.904 -2.415 6.800 1.00 21.33 N ATOM 1059 CA GLN A 74 10.411 -1.771 5.593 1.00 43.41 C ATOM 1060 C GLN A 74 9.252 -1.294 4.785 1.00 21.54 C ATOM 1061 O GLN A 74 9.293 -0.214 4.228 1.00 40.44 O ATOM 1062 CB GLN A 74 11.231 -2.719 4.691 1.00 13.11 C ATOM 1063 CG GLN A 74 12.593 -3.102 5.287 1.00 54.14 C ATOM 1064 CD GLN A 74 13.264 -4.080 4.341 1.00 62.51 C ATOM 1065 OE1 GLN A 74 13.572 -5.214 4.712 1.00 31.44 O ATOM 1066 NE2 GLN A 74 13.494 -3.652 3.086 1.00 21.33 N ATOM 0 H GLN A 74 10.087 -3.417 6.859 1.00 21.33 H new ATOM 0 HA GLN A 74 11.064 -0.962 5.921 1.00 43.41 H new ATOM 0 HB2 GLN A 74 10.654 -3.626 4.510 1.00 13.11 H new ATOM 0 HB3 GLN A 74 11.387 -2.243 3.723 1.00 13.11 H new ATOM 0 HG2 GLN A 74 13.213 -2.215 5.420 1.00 54.14 H new ATOM 0 HG3 GLN A 74 12.465 -3.552 6.271 1.00 54.14 H new ATOM 0 HE21 GLN A 74 13.226 -2.707 2.812 1.00 21.33 H new ATOM 0 HE22 GLN A 74 13.936 -4.273 2.408 1.00 21.33 H new ATOM 1075 N ALA A 75 8.179 -2.099 4.713 1.00 10.13 N ATOM 1076 CA ALA A 75 6.992 -1.733 3.963 1.00 41.22 C ATOM 1077 C ALA A 75 6.459 -0.392 4.465 1.00 44.33 C ATOM 1078 O ALA A 75 6.125 0.478 3.672 1.00 70.45 O ATOM 1079 CB ALA A 75 5.888 -2.781 4.101 1.00 21.43 C ATOM 0 H ALA A 75 8.121 -3.008 5.171 1.00 10.13 H new ATOM 0 HA ALA A 75 7.276 -1.665 2.913 1.00 41.22 H new ATOM 0 HB1 ALA A 75 5.017 -2.470 3.525 1.00 21.43 H new ATOM 0 HB2 ALA A 75 6.247 -3.739 3.726 1.00 21.43 H new ATOM 0 HB3 ALA A 75 5.612 -2.882 5.151 1.00 21.43 H new ATOM 1085 N VAL A 76 6.423 -0.198 5.805 1.00 21.43 N ATOM 1086 CA VAL A 76 5.936 1.055 6.379 1.00 34.25 C ATOM 1087 C VAL A 76 6.974 2.127 6.072 1.00 62.23 C ATOM 1088 O VAL A 76 6.645 3.201 5.570 1.00 50.32 O ATOM 1089 CB VAL A 76 5.732 0.977 7.904 1.00 14.34 C ATOM 1090 CG1 VAL A 76 5.267 2.357 8.440 1.00 35.43 C ATOM 1091 CG2 VAL A 76 4.711 -0.141 8.203 1.00 53.43 C ATOM 0 H VAL A 76 6.724 -0.890 6.491 1.00 21.43 H new ATOM 0 HA VAL A 76 4.963 1.280 5.942 1.00 34.25 H new ATOM 0 HB VAL A 76 6.666 0.734 8.412 1.00 14.34 H new ATOM 0 HG11 VAL A 76 5.124 2.299 9.519 1.00 35.43 H new ATOM 0 HG12 VAL A 76 6.024 3.109 8.215 1.00 35.43 H new ATOM 0 HG13 VAL A 76 4.327 2.634 7.963 1.00 35.43 H new ATOM 0 HG21 VAL A 76 4.553 -0.211 9.279 1.00 53.43 H new ATOM 0 HG22 VAL A 76 3.765 0.089 7.712 1.00 53.43 H new ATOM 0 HG23 VAL A 76 5.092 -1.091 7.829 1.00 53.43 H new ATOM 1101 N CYS A 77 8.265 1.821 6.400 1.00 63.31 N ATOM 1102 CA CYS A 77 9.396 2.820 6.280 1.00 33.24 C ATOM 1103 C CYS A 77 9.400 3.396 4.834 1.00 30.33 C ATOM 1104 O CYS A 77 9.993 4.413 4.540 1.00 15.21 O ATOM 1105 CB CYS A 77 10.762 2.141 6.550 1.00 50.20 C ATOM 1106 SG CYS A 77 12.115 3.321 6.825 1.00 71.41 S ATOM 0 H CYS A 77 8.555 0.906 6.746 1.00 63.31 H new ATOM 0 HA CYS A 77 9.247 3.612 7.014 1.00 33.24 H new ATOM 0 HB2 CYS A 77 10.671 1.494 7.423 1.00 50.20 H new ATOM 0 HB3 CYS A 77 11.014 1.501 5.704 1.00 50.20 H new ATOM 1111 N THR A 78 8.923 2.581 3.883 1.00 41.52 N ATOM 1112 CA THR A 78 8.991 2.927 2.476 1.00 23.42 C ATOM 1113 C THR A 78 7.989 4.039 2.229 1.00 63.52 C ATOM 1114 O THR A 78 8.313 5.046 1.611 1.00 74.32 O ATOM 1115 CB THR A 78 8.696 1.746 1.562 1.00 61.24 C ATOM 1116 OG1 THR A 78 9.653 0.711 1.805 1.00 55.54 O ATOM 1117 CG2 THR A 78 8.821 2.204 0.093 1.00 65.23 C ATOM 0 H THR A 78 8.487 1.679 4.074 1.00 41.52 H new ATOM 0 HA THR A 78 10.007 3.244 2.243 1.00 23.42 H new ATOM 0 HB THR A 78 7.690 1.374 1.755 1.00 61.24 H new ATOM 0 HG1 THR A 78 9.387 0.199 2.597 1.00 55.54 H new ATOM 0 HG21 THR A 78 8.611 1.364 -0.569 1.00 65.23 H new ATOM 0 HG22 THR A 78 8.108 3.005 -0.100 1.00 65.23 H new ATOM 0 HG23 THR A 78 9.832 2.567 -0.090 1.00 65.23 H new ATOM 1125 N LEU A 79 6.762 3.868 2.752 1.00 63.10 N ATOM 1126 CA LEU A 79 5.699 4.858 2.609 1.00 52.24 C ATOM 1127 C LEU A 79 6.139 6.125 3.320 1.00 4.44 C ATOM 1128 O LEU A 79 6.177 7.193 2.741 1.00 12.14 O ATOM 1129 CB LEU A 79 4.372 4.364 3.226 1.00 33.02 C ATOM 1130 CG LEU A 79 3.910 2.991 2.658 1.00 43.52 C ATOM 1131 CD1 LEU A 79 2.709 2.414 3.418 1.00 0.30 C ATOM 1132 CD2 LEU A 79 3.696 3.006 1.125 1.00 61.04 C ATOM 0 H LEU A 79 6.488 3.041 3.282 1.00 63.10 H new ATOM 0 HA LEU A 79 5.524 5.038 1.548 1.00 52.24 H new ATOM 0 HB2 LEU A 79 4.488 4.283 4.307 1.00 33.02 H new ATOM 0 HB3 LEU A 79 3.595 5.106 3.044 1.00 33.02 H new ATOM 0 HG LEU A 79 4.740 2.305 2.831 1.00 43.52 H new ATOM 0 HD11 LEU A 79 2.428 1.456 2.981 1.00 0.30 H new ATOM 0 HD12 LEU A 79 2.976 2.271 4.465 1.00 0.30 H new ATOM 0 HD13 LEU A 79 1.869 3.105 3.349 1.00 0.30 H new ATOM 0 HD21 LEU A 79 3.375 2.019 0.793 1.00 61.04 H new ATOM 0 HD22 LEU A 79 2.932 3.741 0.871 1.00 61.04 H new ATOM 0 HD23 LEU A 79 4.631 3.269 0.630 1.00 61.04 H new ATOM 1144 N ARG A 80 6.530 5.977 4.603 1.00 43.41 N ATOM 1145 CA ARG A 80 7.096 7.083 5.402 1.00 72.51 C ATOM 1146 C ARG A 80 8.128 7.883 4.605 1.00 1.30 C ATOM 1147 O ARG A 80 8.084 9.117 4.616 1.00 63.43 O ATOM 1148 CB ARG A 80 7.846 6.559 6.654 1.00 74.42 C ATOM 1149 CG ARG A 80 6.934 6.076 7.802 1.00 43.32 C ATOM 1150 CD ARG A 80 6.114 7.207 8.460 1.00 12.34 C ATOM 1151 NE ARG A 80 7.064 8.343 8.768 1.00 23.24 N ATOM 1152 CZ ARG A 80 6.623 9.606 9.072 1.00 0.22 C ATOM 1153 NH1 ARG A 80 5.299 9.850 9.276 1.00 71.44 N ATOM 1154 NH2 ARG A 80 7.519 10.619 9.166 1.00 24.30 N ATOM 0 H ARG A 80 6.463 5.095 5.111 1.00 43.41 H new ATOM 0 HA ARG A 80 6.244 7.703 5.682 1.00 72.51 H new ATOM 0 HB2 ARG A 80 8.494 5.736 6.353 1.00 74.42 H new ATOM 0 HB3 ARG A 80 8.492 7.352 7.031 1.00 74.42 H new ATOM 0 HG2 ARG A 80 6.250 5.320 7.417 1.00 43.32 H new ATOM 0 HG3 ARG A 80 7.547 5.594 8.563 1.00 43.32 H new ATOM 0 HD2 ARG A 80 5.320 7.542 7.792 1.00 12.34 H new ATOM 0 HD3 ARG A 80 5.634 6.851 9.372 1.00 12.34 H new ATOM 0 HE ARG A 80 8.068 8.164 8.749 1.00 23.24 H new ATOM 0 HH11 ARG A 80 4.623 9.090 9.203 1.00 71.44 H new ATOM 0 HH12 ARG A 80 4.983 10.793 9.501 1.00 71.44 H new ATOM 0 HH21 ARG A 80 8.511 10.439 9.011 1.00 24.30 H new ATOM 0 HH22 ARG A 80 7.201 11.562 9.392 1.00 24.30 H new ATOM 1168 N ASN A 81 9.060 7.224 3.909 1.00 43.54 N ATOM 1169 CA ASN A 81 10.114 7.972 3.210 1.00 53.33 C ATOM 1170 C ASN A 81 9.680 8.176 1.772 1.00 35.22 C ATOM 1171 O ASN A 81 10.356 7.732 0.837 1.00 43.22 O ATOM 1172 CB ASN A 81 11.501 7.260 3.203 1.00 72.34 C ATOM 1173 CG ASN A 81 12.101 7.305 4.619 1.00 31.51 C ATOM 1174 OD1 ASN A 81 13.073 8.013 4.869 1.00 24.24 O ATOM 1175 ND2 ASN A 81 11.528 6.542 5.571 1.00 2.14 N ATOM 0 H ASN A 81 9.109 6.210 3.814 1.00 43.54 H new ATOM 0 HA ASN A 81 10.243 8.911 3.749 1.00 53.33 H new ATOM 0 HB2 ASN A 81 11.391 6.226 2.875 1.00 72.34 H new ATOM 0 HB3 ASN A 81 12.171 7.749 2.496 1.00 72.34 H new ATOM 0 HD21 ASN A 81 11.901 6.545 6.520 1.00 2.14 H new ATOM 0 HD22 ASN A 81 10.721 5.961 5.342 1.00 2.14 H new ATOM 1182 N THR A 82 8.549 8.877 1.569 1.00 54.15 N ATOM 1183 CA THR A 82 8.088 9.189 0.221 1.00 54.12 C ATOM 1184 C THR A 82 8.233 10.672 0.013 1.00 31.04 C ATOM 1185 O THR A 82 8.292 11.450 0.973 1.00 12.15 O ATOM 1186 CB THR A 82 6.655 8.800 -0.061 1.00 23.13 C ATOM 1187 OG1 THR A 82 5.775 9.180 1.017 1.00 53.21 O ATOM 1188 CG2 THR A 82 6.593 7.283 -0.301 1.00 0.21 C ATOM 0 H THR A 82 7.951 9.230 2.316 1.00 54.15 H new ATOM 0 HA THR A 82 8.700 8.602 -0.464 1.00 54.12 H new ATOM 0 HB THR A 82 6.315 9.332 -0.949 1.00 23.13 H new ATOM 0 HG1 THR A 82 6.019 8.686 1.828 1.00 53.21 H new ATOM 0 HG21 THR A 82 5.564 6.989 -0.506 1.00 0.21 H new ATOM 0 HG22 THR A 82 7.221 7.024 -1.153 1.00 0.21 H new ATOM 0 HG23 THR A 82 6.950 6.759 0.586 1.00 0.21 H new ATOM 1196 N GLY A 83 8.333 11.083 -1.264 1.00 35.11 N ATOM 1197 CA GLY A 83 8.462 12.472 -1.609 1.00 2.21 C ATOM 1198 C GLY A 83 7.099 13.031 -1.848 1.00 30.00 C ATOM 1199 O GLY A 83 6.224 12.966 -0.975 1.00 3.01 O ATOM 0 H GLY A 83 8.325 10.452 -2.065 1.00 35.11 H new ATOM 0 HA2 GLY A 83 8.959 13.017 -0.806 1.00 2.21 H new ATOM 0 HA3 GLY A 83 9.079 12.585 -2.500 1.00 2.21 H new ATOM 1203 N GLN A 84 6.905 13.639 -3.039 1.00 72.11 N ATOM 1204 CA GLN A 84 5.706 14.395 -3.333 1.00 35.24 C ATOM 1205 C GLN A 84 4.697 13.450 -3.913 1.00 65.43 C ATOM 1206 O GLN A 84 3.562 13.402 -3.472 1.00 71.04 O ATOM 1207 CB GLN A 84 5.964 15.518 -4.371 1.00 33.03 C ATOM 1208 CG GLN A 84 4.751 16.431 -4.642 1.00 75.32 C ATOM 1209 CD GLN A 84 5.151 17.417 -5.733 1.00 52.44 C ATOM 1210 OE1 GLN A 84 4.682 17.323 -6.874 1.00 51.33 O ATOM 1211 NE2 GLN A 84 6.042 18.368 -5.402 1.00 53.04 N ATOM 0 H GLN A 84 7.578 13.610 -3.805 1.00 72.11 H new ATOM 0 HA GLN A 84 5.358 14.859 -2.410 1.00 35.24 H new ATOM 0 HB2 GLN A 84 6.794 16.132 -4.023 1.00 33.03 H new ATOM 0 HB3 GLN A 84 6.276 15.062 -5.310 1.00 33.03 H new ATOM 0 HG2 GLN A 84 3.890 15.841 -4.956 1.00 75.32 H new ATOM 0 HG3 GLN A 84 4.460 16.961 -3.735 1.00 75.32 H new ATOM 0 HE21 GLN A 84 6.408 18.415 -4.451 1.00 53.04 H new ATOM 0 HE22 GLN A 84 6.352 19.042 -6.102 1.00 53.04 H new ATOM 1220 N VAL A 85 5.091 12.701 -4.943 1.00 30.11 N ATOM 1221 CA VAL A 85 4.171 11.796 -5.584 1.00 5.43 C ATOM 1222 C VAL A 85 4.741 10.437 -5.364 1.00 52.05 C ATOM 1223 O VAL A 85 5.960 10.244 -5.472 1.00 42.54 O ATOM 1224 CB VAL A 85 4.025 12.052 -7.080 1.00 25.31 C ATOM 1225 CG1 VAL A 85 3.016 11.046 -7.683 1.00 22.42 C ATOM 1226 CG2 VAL A 85 3.581 13.524 -7.268 1.00 14.44 C ATOM 0 H VAL A 85 6.031 12.710 -5.339 1.00 30.11 H new ATOM 0 HA VAL A 85 3.173 11.921 -5.165 1.00 5.43 H new ATOM 0 HB VAL A 85 4.968 11.904 -7.606 1.00 25.31 H new ATOM 0 HG11 VAL A 85 2.913 11.231 -8.752 1.00 22.42 H new ATOM 0 HG12 VAL A 85 3.376 10.030 -7.523 1.00 22.42 H new ATOM 0 HG13 VAL A 85 2.047 11.168 -7.199 1.00 22.42 H new ATOM 0 HG21 VAL A 85 3.468 13.737 -8.331 1.00 14.44 H new ATOM 0 HG22 VAL A 85 2.629 13.684 -6.763 1.00 14.44 H new ATOM 0 HG23 VAL A 85 4.333 14.188 -6.843 1.00 14.44 H new ATOM 1236 N VAL A 86 3.885 9.459 -5.008 1.00 70.04 N ATOM 1237 CA VAL A 86 4.340 8.128 -4.781 1.00 73.02 C ATOM 1238 C VAL A 86 3.699 7.307 -5.851 1.00 64.21 C ATOM 1239 O VAL A 86 2.501 7.404 -6.051 1.00 43.32 O ATOM 1240 CB VAL A 86 3.874 7.570 -3.444 1.00 54.51 C ATOM 1241 CG1 VAL A 86 4.727 6.326 -3.115 1.00 23.41 C ATOM 1242 CG2 VAL A 86 3.980 8.693 -2.388 1.00 23.32 C ATOM 0 H VAL A 86 2.882 9.594 -4.879 1.00 70.04 H new ATOM 0 HA VAL A 86 5.430 8.110 -4.784 1.00 73.02 H new ATOM 0 HB VAL A 86 2.833 7.247 -3.464 1.00 54.51 H new ATOM 0 HG11 VAL A 86 4.409 5.909 -2.159 1.00 23.41 H new ATOM 0 HG12 VAL A 86 4.597 5.579 -3.898 1.00 23.41 H new ATOM 0 HG13 VAL A 86 5.778 6.611 -3.056 1.00 23.41 H new ATOM 0 HG21 VAL A 86 3.650 8.315 -1.420 1.00 23.32 H new ATOM 0 HG22 VAL A 86 5.015 9.026 -2.314 1.00 23.32 H new ATOM 0 HG23 VAL A 86 3.349 9.531 -2.684 1.00 23.32 H new ATOM 1252 N HIS A 87 4.473 6.484 -6.560 1.00 13.13 N ATOM 1253 CA HIS A 87 3.893 5.586 -7.533 1.00 62.24 C ATOM 1254 C HIS A 87 3.716 4.302 -6.806 1.00 61.34 C ATOM 1255 O HIS A 87 4.684 3.728 -6.331 1.00 62.12 O ATOM 1256 CB HIS A 87 4.805 5.293 -8.741 1.00 63.33 C ATOM 1257 CG HIS A 87 5.014 6.469 -9.663 1.00 53.02 C ATOM 1258 ND1 HIS A 87 5.729 7.579 -9.298 1.00 70.03 N ATOM 1259 CD2 HIS A 87 4.630 6.643 -10.944 1.00 22.11 C ATOM 1260 CE1 HIS A 87 5.769 8.407 -10.339 1.00 61.21 C ATOM 1261 NE2 HIS A 87 5.115 7.851 -11.350 1.00 42.02 N ATOM 0 H HIS A 87 5.488 6.428 -6.474 1.00 13.13 H new ATOM 0 HA HIS A 87 2.983 6.037 -7.928 1.00 62.24 H new ATOM 0 HB2 HIS A 87 5.775 4.956 -8.375 1.00 63.33 H new ATOM 0 HB3 HIS A 87 4.377 4.470 -9.313 1.00 63.33 H new ATOM 0 HD2 HIS A 87 4.047 5.954 -11.537 1.00 22.11 H new ATOM 0 HE1 HIS A 87 6.254 9.372 -10.358 1.00 61.21 H new ATOM 0 HE2 HIS A 87 4.995 8.259 -12.277 1.00 42.02 H new ATOM 1270 N LEU A 88 2.481 3.858 -6.652 1.00 52.41 N ATOM 1271 CA LEU A 88 2.217 2.664 -5.904 1.00 23.01 C ATOM 1272 C LEU A 88 1.514 1.744 -6.816 1.00 33.41 C ATOM 1273 O LEU A 88 0.710 2.166 -7.643 1.00 60.42 O ATOM 1274 CB LEU A 88 1.293 2.913 -4.691 1.00 22.44 C ATOM 1275 CG LEU A 88 1.898 3.893 -3.669 1.00 62.13 C ATOM 1276 CD1 LEU A 88 0.834 4.605 -2.834 1.00 23.32 C ATOM 1277 CD2 LEU A 88 2.994 3.236 -2.809 1.00 24.25 C ATOM 0 H LEU A 88 1.654 4.313 -7.038 1.00 52.41 H new ATOM 0 HA LEU A 88 3.162 2.272 -5.527 1.00 23.01 H new ATOM 0 HB2 LEU A 88 0.339 3.305 -5.042 1.00 22.44 H new ATOM 0 HB3 LEU A 88 1.085 1.963 -4.198 1.00 22.44 H new ATOM 0 HG LEU A 88 2.392 4.675 -4.246 1.00 62.13 H new ATOM 0 HD11 LEU A 88 1.317 5.283 -2.131 1.00 23.32 H new ATOM 0 HD12 LEU A 88 0.175 5.173 -3.491 1.00 23.32 H new ATOM 0 HD13 LEU A 88 0.250 3.868 -2.284 1.00 23.32 H new ATOM 0 HD21 LEU A 88 3.390 3.967 -2.104 1.00 24.25 H new ATOM 0 HD22 LEU A 88 2.571 2.395 -2.260 1.00 24.25 H new ATOM 0 HD23 LEU A 88 3.798 2.881 -3.453 1.00 24.25 H new ATOM 1289 N LEU A 89 1.796 0.457 -6.670 1.00 34.53 N ATOM 1290 CA LEU A 89 1.078 -0.553 -7.381 1.00 42.03 C ATOM 1291 C LEU A 89 0.426 -1.323 -6.327 1.00 24.24 C ATOM 1292 O LEU A 89 1.063 -1.693 -5.323 1.00 12.52 O ATOM 1293 CB LEU A 89 1.962 -1.521 -8.195 1.00 21.03 C ATOM 1294 CG LEU A 89 2.103 -1.149 -9.682 1.00 60.00 C ATOM 1295 CD1 LEU A 89 2.316 0.353 -9.932 1.00 2.13 C ATOM 1296 CD2 LEU A 89 3.139 -2.022 -10.397 1.00 72.22 C ATOM 0 H LEU A 89 2.528 0.100 -6.055 1.00 34.53 H new ATOM 0 HA LEU A 89 0.417 -0.082 -8.109 1.00 42.03 H new ATOM 0 HB2 LEU A 89 2.954 -1.554 -7.745 1.00 21.03 H new ATOM 0 HB3 LEU A 89 1.545 -2.525 -8.121 1.00 21.03 H new ATOM 0 HG LEU A 89 1.135 -1.370 -10.132 1.00 60.00 H new ATOM 0 HD11 LEU A 89 2.406 0.534 -11.003 1.00 2.13 H new ATOM 0 HD12 LEU A 89 1.466 0.911 -9.540 1.00 2.13 H new ATOM 0 HD13 LEU A 89 3.227 0.680 -9.431 1.00 2.13 H new ATOM 0 HD21 LEU A 89 3.205 -1.725 -11.444 1.00 72.22 H new ATOM 0 HD22 LEU A 89 4.112 -1.896 -9.921 1.00 72.22 H new ATOM 0 HD23 LEU A 89 2.838 -3.068 -10.335 1.00 72.22 H new ATOM 1308 N LEU A 90 -0.861 -1.562 -6.501 1.00 22.50 N ATOM 1309 CA LEU A 90 -1.605 -2.255 -5.505 1.00 64.40 C ATOM 1310 C LEU A 90 -2.392 -3.277 -6.208 1.00 72.23 C ATOM 1311 O LEU A 90 -2.632 -3.166 -7.397 1.00 73.10 O ATOM 1312 CB LEU A 90 -2.555 -1.378 -4.667 1.00 62.51 C ATOM 1313 CG LEU A 90 -1.851 -0.186 -3.979 1.00 23.54 C ATOM 1314 CD1 LEU A 90 -1.841 1.089 -4.850 1.00 53.51 C ATOM 1315 CD2 LEU A 90 -2.398 0.075 -2.580 1.00 14.13 C ATOM 0 H LEU A 90 -1.396 -1.282 -7.323 1.00 22.50 H new ATOM 0 HA LEU A 90 -0.893 -2.663 -4.787 1.00 64.40 H new ATOM 0 HB2 LEU A 90 -3.348 -0.998 -5.311 1.00 62.51 H new ATOM 0 HB3 LEU A 90 -3.031 -1.997 -3.906 1.00 62.51 H new ATOM 0 HG LEU A 90 -0.807 -0.478 -3.861 1.00 23.54 H new ATOM 0 HD11 LEU A 90 -1.334 1.891 -4.315 1.00 53.51 H new ATOM 0 HD12 LEU A 90 -1.316 0.888 -5.784 1.00 53.51 H new ATOM 0 HD13 LEU A 90 -2.866 1.389 -5.067 1.00 53.51 H new ATOM 0 HD21 LEU A 90 -1.873 0.921 -2.136 1.00 14.13 H new ATOM 0 HD22 LEU A 90 -3.463 0.300 -2.642 1.00 14.13 H new ATOM 0 HD23 LEU A 90 -2.250 -0.809 -1.960 1.00 14.13 H new ATOM 1327 N GLU A 91 -2.757 -4.331 -5.489 1.00 73.23 N ATOM 1328 CA GLU A 91 -3.434 -5.441 -6.049 1.00 61.42 C ATOM 1329 C GLU A 91 -4.681 -5.573 -5.247 1.00 15.23 C ATOM 1330 O GLU A 91 -4.651 -5.505 -4.012 1.00 75.41 O ATOM 1331 CB GLU A 91 -2.629 -6.749 -5.862 1.00 1.04 C ATOM 1332 CG GLU A 91 -3.287 -8.013 -6.430 1.00 32.22 C ATOM 1333 CD GLU A 91 -2.521 -9.187 -5.886 1.00 13.30 C ATOM 1334 OE1 GLU A 91 -2.475 -9.343 -4.641 1.00 70.14 O ATOM 1335 OE2 GLU A 91 -1.918 -9.932 -6.674 1.00 42.00 O ATOM 0 H GLU A 91 -2.578 -4.418 -4.489 1.00 73.23 H new ATOM 0 HA GLU A 91 -3.597 -5.289 -7.116 1.00 61.42 H new ATOM 0 HB2 GLU A 91 -1.653 -6.625 -6.332 1.00 1.04 H new ATOM 0 HB3 GLU A 91 -2.453 -6.899 -4.797 1.00 1.04 H new ATOM 0 HG2 GLU A 91 -4.336 -8.067 -6.137 1.00 32.22 H new ATOM 0 HG3 GLU A 91 -3.260 -8.006 -7.520 1.00 32.22 H new ATOM 1342 N LYS A 92 -5.813 -5.752 -5.929 1.00 33.43 N ATOM 1343 CA LYS A 92 -7.068 -5.973 -5.265 1.00 11.43 C ATOM 1344 C LYS A 92 -7.056 -7.330 -4.602 1.00 2.24 C ATOM 1345 O LYS A 92 -6.417 -8.272 -5.058 1.00 43.34 O ATOM 1346 CB LYS A 92 -8.261 -5.960 -6.232 1.00 54.32 C ATOM 1347 CG LYS A 92 -8.687 -4.577 -6.713 1.00 32.01 C ATOM 1348 CD LYS A 92 -9.511 -3.818 -5.681 1.00 52.11 C ATOM 1349 CE LYS A 92 -8.702 -2.818 -4.819 1.00 31.52 C ATOM 1350 NZ LYS A 92 -9.508 -2.305 -3.700 1.00 45.20 N ATOM 0 H LYS A 92 -5.871 -5.746 -6.947 1.00 33.43 H new ATOM 0 HA LYS A 92 -7.183 -5.162 -4.546 1.00 11.43 H new ATOM 0 HB2 LYS A 92 -8.012 -6.569 -7.101 1.00 54.32 H new ATOM 0 HB3 LYS A 92 -9.111 -6.436 -5.743 1.00 54.32 H new ATOM 0 HG2 LYS A 92 -7.799 -3.995 -6.961 1.00 32.01 H new ATOM 0 HG3 LYS A 92 -9.268 -4.680 -7.630 1.00 32.01 H new ATOM 0 HD2 LYS A 92 -10.303 -3.275 -6.196 1.00 52.11 H new ATOM 0 HD3 LYS A 92 -9.995 -4.538 -5.021 1.00 52.11 H new ATOM 0 HE2 LYS A 92 -7.808 -3.308 -4.432 1.00 31.52 H new ATOM 0 HE3 LYS A 92 -8.367 -1.987 -5.440 1.00 31.52 H new ATOM 0 HZ1 LYS A 92 -8.900 -1.760 -3.056 1.00 45.20 H new ATOM 0 HZ2 LYS A 92 -10.262 -1.690 -4.068 1.00 45.20 H new ATOM 0 HZ3 LYS A 92 -9.933 -3.102 -3.184 1.00 45.20 H new ATOM 1364 N GLY A 93 -7.804 -7.430 -3.521 1.00 13.23 N ATOM 1365 CA GLY A 93 -7.938 -8.700 -2.835 1.00 61.20 C ATOM 1366 C GLY A 93 -8.471 -8.457 -1.480 1.00 23.03 C ATOM 1367 O GLY A 93 -8.283 -9.269 -0.585 1.00 64.54 O ATOM 0 H GLY A 93 -8.323 -6.658 -3.103 1.00 13.23 H new ATOM 0 HA2 GLY A 93 -8.605 -9.360 -3.390 1.00 61.20 H new ATOM 0 HA3 GLY A 93 -6.971 -9.200 -2.776 1.00 61.20 H new ATOM 1371 N GLN A 94 -9.163 -7.331 -1.295 1.00 75.54 N ATOM 1372 CA GLN A 94 -9.793 -7.020 -0.042 1.00 52.13 C ATOM 1373 C GLN A 94 -11.057 -7.829 0.040 1.00 2.21 C ATOM 1374 O GLN A 94 -11.388 -8.574 -0.889 1.00 1.02 O ATOM 1375 CB GLN A 94 -10.170 -5.504 0.085 1.00 12.05 C ATOM 1376 CG GLN A 94 -11.289 -4.977 -0.875 1.00 31.14 C ATOM 1377 CD GLN A 94 -10.876 -5.153 -2.339 1.00 5.05 C ATOM 1378 OE1 GLN A 94 -9.695 -5.045 -2.696 1.00 33.30 O ATOM 1379 NE2 GLN A 94 -11.852 -5.433 -3.213 1.00 54.42 N ATOM 0 H GLN A 94 -9.293 -6.621 -2.016 1.00 75.54 H new ATOM 0 HA GLN A 94 -9.093 -7.251 0.760 1.00 52.13 H new ATOM 0 HB2 GLN A 94 -10.485 -5.316 1.111 1.00 12.05 H new ATOM 0 HB3 GLN A 94 -9.270 -4.914 -0.085 1.00 12.05 H new ATOM 0 HG2 GLN A 94 -12.218 -5.515 -0.687 1.00 31.14 H new ATOM 0 HG3 GLN A 94 -11.483 -3.924 -0.671 1.00 31.14 H new ATOM 0 HE21 GLN A 94 -12.816 -5.516 -2.891 1.00 54.42 H new ATOM 0 HE22 GLN A 94 -11.631 -5.563 -4.200 1.00 54.42 H new ATOM 1388 N SER A 95 -11.823 -7.672 1.134 1.00 72.34 N ATOM 1389 CA SER A 95 -13.118 -8.291 1.210 1.00 51.54 C ATOM 1390 C SER A 95 -14.023 -7.314 0.483 1.00 54.43 C ATOM 1391 O SER A 95 -14.047 -6.138 0.829 1.00 74.02 O ATOM 1392 CB SER A 95 -13.632 -8.411 2.664 1.00 51.01 C ATOM 1393 OG SER A 95 -12.675 -9.097 3.482 1.00 13.21 O ATOM 0 H SER A 95 -11.556 -7.128 1.954 1.00 72.34 H new ATOM 0 HA SER A 95 -13.090 -9.299 0.797 1.00 51.54 H new ATOM 0 HB2 SER A 95 -13.822 -7.418 3.072 1.00 51.01 H new ATOM 0 HB3 SER A 95 -14.581 -8.947 2.677 1.00 51.01 H new ATOM 0 HG SER A 95 -13.015 -9.163 4.399 1.00 13.21 H new ATOM 1399 N PRO A 96 -14.670 -7.766 -0.607 1.00 53.42 N ATOM 1400 CA PRO A 96 -15.351 -6.878 -1.543 1.00 13.25 C ATOM 1401 C PRO A 96 -16.617 -6.346 -0.914 1.00 10.35 C ATOM 1402 O PRO A 96 -17.701 -6.818 -1.269 1.00 71.15 O ATOM 1403 CB PRO A 96 -15.666 -7.785 -2.753 1.00 32.44 C ATOM 1404 CG PRO A 96 -15.766 -9.203 -2.154 1.00 5.34 C ATOM 1405 CD PRO A 96 -14.757 -9.175 -0.999 1.00 72.14 C ATOM 0 HA PRO A 96 -14.758 -6.008 -1.826 1.00 13.25 H new ATOM 0 HB2 PRO A 96 -16.597 -7.492 -3.238 1.00 32.44 H new ATOM 0 HB3 PRO A 96 -14.882 -7.727 -3.508 1.00 32.44 H new ATOM 0 HG2 PRO A 96 -16.774 -9.420 -1.801 1.00 5.34 H new ATOM 0 HG3 PRO A 96 -15.514 -9.968 -2.889 1.00 5.34 H new ATOM 0 HD2 PRO A 96 -15.091 -9.796 -0.168 1.00 72.14 H new ATOM 0 HD3 PRO A 96 -13.786 -9.558 -1.313 1.00 72.14 H new ATOM 1413 N THR A 97 -16.518 -5.379 -0.009 1.00 22.31 N ATOM 1414 CA THR A 97 -17.666 -4.735 0.510 1.00 54.13 C ATOM 1415 C THR A 97 -17.763 -3.425 -0.284 1.00 35.11 C ATOM 1416 O THR A 97 -16.825 -2.593 -0.190 1.00 13.03 O ATOM 1417 CB THR A 97 -17.530 -4.418 1.986 1.00 71.42 C ATOM 1418 OG1 THR A 97 -16.234 -3.864 2.253 1.00 34.43 O ATOM 1419 CG2 THR A 97 -17.686 -5.735 2.769 1.00 25.22 C ATOM 0 H THR A 97 -15.634 -5.038 0.369 1.00 22.31 H new ATOM 0 HA THR A 97 -18.545 -5.372 0.416 1.00 54.13 H new ATOM 0 HB THR A 97 -18.290 -3.695 2.284 1.00 71.42 H new ATOM 0 HG1 THR A 97 -16.046 -3.148 1.611 1.00 34.43 H new ATOM 0 HG21 THR A 97 -17.592 -5.537 3.837 1.00 25.22 H new ATOM 0 HG22 THR A 97 -18.666 -6.166 2.565 1.00 25.22 H new ATOM 0 HG23 THR A 97 -16.910 -6.436 2.461 1.00 25.22 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 0.838 2.998 10.792 1.00 64.02 C HETATM 1429 C2 33B A 101 2.189 3.367 11.412 1.00 74.05 C HETATM 1430 O2 33B A 101 2.916 2.480 11.873 1.00 61.43 O HETATM 1431 N3 33B A 101 2.505 4.719 11.415 1.00 52.31 N HETATM 1432 C4 33B A 101 3.738 5.365 12.075 1.00 75.44 C HETATM 1433 C5 33B A 101 4.691 4.588 12.804 1.00 15.43 C HETATM 1434 C6 33B A 101 3.956 6.824 12.003 1.00 70.22 C HETATM 1435 S6 33B A 101 2.849 7.959 11.123 1.00 15.33 S HETATM 1436 C7 33B A 101 5.772 5.191 13.447 1.00 32.13 C HETATM 1437 C8 33B A 101 5.082 7.371 12.667 1.00 11.31 C HETATM 1438 C9 33B A 101 5.971 6.576 13.392 1.00 62.21 C HETATM 1439 N10 33B A 101 7.080 7.216 14.179 1.00 43.00 N HETATM 1440 N11 33B A 101 8.323 7.154 13.921 1.00 22.23 N HETATM 1441 C12 33B A 101 8.964 6.434 12.759 1.00 50.51 C HETATM 1442 C13 33B A 101 9.106 5.040 12.767 1.00 25.23 C HETATM 1443 C14 33B A 101 9.506 7.172 11.711 1.00 55.05 C HETATM 1444 C15 33B A 101 9.806 4.377 11.752 1.00 3.52 C HETATM 1445 C16 33B A 101 10.240 6.570 10.665 1.00 44.14 C HETATM 1446 C17 33B A 101 10.418 5.106 10.684 1.00 31.22 C HETATM 1447 S17 33B A 101 10.946 7.671 9.407 1.00 55.42 S HETATM 1448 N18 33B A 101 11.275 4.410 9.619 1.00 10.01 N HETATM 1449 C19 33B A 101 11.542 3.058 9.518 1.00 33.43 C HETATM 1450 O19 33B A 101 10.998 2.190 10.208 1.00 15.00 O HETATM 1451 C20 33B A 101 12.600 2.669 8.472 1.00 4.44 C HETATM 1452 O61 33B A 101 3.371 7.961 9.770 1.00 32.24 O HETATM 1453 O62 33B A 101 1.536 7.378 11.257 1.00 42.21 O HETATM 1454 O63 33B A 101 3.017 9.224 11.806 1.00 61.44 O HETATM 1455 O71 33B A 101 11.722 6.820 8.522 1.00 12.24 O HETATM 1456 O72 33B A 101 9.761 8.249 8.821 1.00 2.15 O HETATM 1457 O73 33B A 101 11.720 8.587 10.210 1.00 31.15 O HETATM 0 HO72 33B A 101 10.019 8.876 8.113 1.00 2.15 H new HETATM 0 HO62 33B A 101 0.879 7.945 10.801 1.00 42.21 H new HETATM 0 HN18 33B A 101 11.693 5.010 8.908 1.00 10.01 H new HETATM 0 HN3 33B A 101 1.859 5.345 10.934 1.00 52.31 H new HETATM 0 H8 33B A 101 5.259 8.445 12.610 1.00 11.31 H new HETATM 0 H7 33B A 101 6.476 4.572 14.003 1.00 32.13 H new HETATM 0 H5 33B A 101 4.571 3.506 12.858 1.00 15.43 H new HETATM 0 H15 33B A 101 9.886 3.290 11.776 1.00 3.52 H new HETATM 0 H14 33B A 101 9.359 8.252 11.697 1.00 55.05 H new HETATM 0 H13 33B A 101 8.664 4.462 13.578 1.00 25.23 H new