USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 796 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 34 THR OG1 : rot 70:sc= 0.424 USER MOD Set 1.2: A 35 SER OG : rot 180:sc= -1.1 USER MOD Set 2.1: A 19 THR OG1 : rot 176:sc= 0.0475 USER MOD Set 2.2: A 62 THR OG1 : rot -99:sc= 1.25 USER MOD Set 3.1: A 14 THR OG1 : rot 92:sc= 0.967 USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= -0.0629 USER MOD Single : A 0 SER N :NH3+ 147:sc= 0.184 (180deg=0.00541) USER MOD Single : A 0 SER OG : rot 180:sc= 0.107 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.153 F(o=-0.94,f=-0.15) USER MOD Single : A 16 HIS : no HE2:sc= -0.114 X(o=-0.11,f=-0.31) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 156:sc= -0.0401 (180deg=-0.298) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 39:sc= 0.234 USER MOD Single : A 32 LYS NZ :NH3+ 148:sc= -0.153 (180deg=-1.19) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.508 K(o=-0.51,f=-9.5!) USER MOD Single : A 54 SER OG : rot -71:sc= 1.1 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.315 F(o=-1.5,f=-0.32) USER MOD Single : A 59 ASN : amide:sc= -0.693 K(o=-0.69,f=-7.2!) USER MOD Single : A 64 SER OG : rot 180:sc=-0.000783 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 30:sc= -1.92! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -11.6! C(o=-12!,f=-17!) USER MOD Single : A 86 SER OG : rot -130:sc= 0.252 USER MOD Single : A 89 SER OG : rot 26:sc= -5.8! USER MOD Single : A 92 SER OG : rot 180:sc= -0.707 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -82:sc= 0.605 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -24.148 -4.239 -4.042 1.00 2.05 N ATOM 2 CA SER A 0 -23.518 -3.160 -4.848 1.00 1.55 C ATOM 3 C SER A 0 -22.180 -3.613 -5.432 1.00 1.39 C ATOM 4 O SER A 0 -21.623 -4.630 -5.018 1.00 1.50 O ATOM 5 CB SER A 0 -23.315 -1.937 -3.951 1.00 2.08 C ATOM 6 OG SER A 0 -24.470 -1.680 -3.170 1.00 2.74 O ATOM 0 H1 SER A 0 -24.681 -3.818 -3.254 1.00 2.05 H new ATOM 0 H2 SER A 0 -24.795 -4.789 -4.643 1.00 2.05 H new ATOM 0 H3 SER A 0 -23.410 -4.866 -3.664 1.00 2.05 H new ATOM 0 HA SER A 0 -24.172 -2.911 -5.683 1.00 1.55 H new ATOM 0 HB2 SER A 0 -22.459 -2.100 -3.297 1.00 2.08 H new ATOM 0 HB3 SER A 0 -23.086 -1.066 -4.565 1.00 2.08 H new ATOM 0 HG SER A 0 -24.314 -0.895 -2.604 1.00 2.74 H new ATOM 12 N PRO A 1 -21.647 -2.856 -6.407 1.00 1.23 N ATOM 13 CA PRO A 1 -20.379 -3.168 -7.052 1.00 1.19 C ATOM 14 C PRO A 1 -19.199 -2.510 -6.348 1.00 1.24 C ATOM 15 O PRO A 1 -18.610 -1.557 -6.860 1.00 2.06 O ATOM 16 CB PRO A 1 -20.569 -2.575 -8.445 1.00 1.18 C ATOM 17 CG PRO A 1 -21.471 -1.398 -8.244 1.00 1.26 C ATOM 18 CD PRO A 1 -22.240 -1.628 -6.961 1.00 1.24 C ATOM 0 HA PRO A 1 -20.152 -4.234 -7.044 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.616 -2.273 -8.879 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -21.013 -3.301 -9.126 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -20.892 -0.477 -8.184 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.154 -1.290 -9.086 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -22.132 -0.788 -6.275 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.306 -1.750 -7.151 1.00 1.24 H new ATOM 26 N ILE A 2 -18.859 -3.020 -5.170 1.00 0.68 N ATOM 27 CA ILE A 2 -17.753 -2.471 -4.399 1.00 0.61 C ATOM 28 C ILE A 2 -16.457 -2.474 -5.210 1.00 0.57 C ATOM 29 O ILE A 2 -16.135 -3.456 -5.877 1.00 0.63 O ATOM 30 CB ILE A 2 -17.546 -3.247 -3.082 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.619 -2.441 -2.139 1.00 0.60 C ATOM 32 CG2 ILE A 2 -17.024 -4.657 -3.368 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.314 -3.119 -1.734 1.00 0.56 C ATOM 0 H ILE A 2 -19.332 -3.810 -4.730 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.013 -1.440 -4.158 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.501 -3.368 -2.570 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -16.377 -1.495 -2.623 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -17.176 -2.202 -1.233 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.884 -5.191 -2.428 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.744 -5.193 -3.986 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -16.072 -4.593 -3.894 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.751 -2.459 -1.074 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.534 -4.051 -1.213 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.723 -3.332 -2.625 1.00 0.56 H new ATOM 45 N ASP A 3 -15.723 -1.365 -5.151 1.00 0.55 N ATOM 46 CA ASP A 3 -14.465 -1.243 -5.890 1.00 0.54 C ATOM 47 C ASP A 3 -13.322 -0.786 -4.982 1.00 0.47 C ATOM 48 O ASP A 3 -13.538 -0.044 -4.022 1.00 0.49 O ATOM 49 CB ASP A 3 -14.630 -0.261 -7.050 1.00 0.61 C ATOM 50 CG ASP A 3 -15.716 -0.689 -8.018 1.00 1.15 C ATOM 51 OD1 ASP A 3 -15.606 -1.799 -8.581 1.00 1.64 O ATOM 52 OD2 ASP A 3 -16.676 0.085 -8.214 1.00 2.00 O ATOM 0 H ASP A 3 -15.974 -0.542 -4.603 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.212 -2.229 -6.280 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -14.867 0.727 -6.655 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.684 -0.172 -7.585 1.00 0.61 H new ATOM 57 N PRO A 4 -12.083 -1.228 -5.277 1.00 0.44 N ATOM 58 CA PRO A 4 -10.901 -0.871 -4.490 1.00 0.41 C ATOM 59 C PRO A 4 -10.309 0.479 -4.885 1.00 0.38 C ATOM 60 O PRO A 4 -10.557 0.986 -5.977 1.00 0.43 O ATOM 61 CB PRO A 4 -9.926 -2.000 -4.814 1.00 0.45 C ATOM 62 CG PRO A 4 -10.260 -2.389 -6.215 1.00 0.50 C ATOM 63 CD PRO A 4 -11.735 -2.119 -6.402 1.00 0.50 C ATOM 0 HA PRO A 4 -11.132 -0.767 -3.430 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.891 -1.668 -4.730 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.048 -2.839 -4.129 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.668 -1.814 -6.928 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.034 -3.441 -6.389 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -11.935 -1.645 -7.363 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.316 -3.041 -6.375 1.00 0.50 H new ATOM 71 N PRO A 5 -9.507 1.078 -3.984 1.00 0.37 N ATOM 72 CA PRO A 5 -8.868 2.375 -4.225 1.00 0.39 C ATOM 73 C PRO A 5 -8.053 2.390 -5.513 1.00 0.38 C ATOM 74 O PRO A 5 -8.022 1.409 -6.255 1.00 0.47 O ATOM 75 CB PRO A 5 -7.941 2.563 -3.016 1.00 0.46 C ATOM 76 CG PRO A 5 -7.867 1.228 -2.352 1.00 0.71 C ATOM 77 CD PRO A 5 -9.161 0.539 -2.660 1.00 0.43 C ATOM 0 HA PRO A 5 -9.608 3.167 -4.338 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.953 2.900 -3.329 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.334 3.318 -2.335 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.020 0.653 -2.727 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -7.729 1.335 -1.276 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -9.048 -0.545 -2.681 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.927 0.765 -1.918 1.00 0.43 H new ATOM 85 N GLY A 6 -7.392 3.515 -5.767 1.00 0.37 N ATOM 86 CA GLY A 6 -6.579 3.648 -6.961 1.00 0.39 C ATOM 87 C GLY A 6 -5.193 3.057 -6.788 1.00 0.42 C ATOM 88 O GLY A 6 -4.881 2.482 -5.745 1.00 0.66 O ATOM 0 H GLY A 6 -7.405 4.339 -5.165 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.079 3.155 -7.794 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.491 4.703 -7.221 1.00 0.39 H new ATOM 92 N LYS A 7 -4.360 3.203 -7.812 1.00 0.41 N ATOM 93 CA LYS A 7 -2.997 2.686 -7.771 1.00 0.44 C ATOM 94 C LYS A 7 -2.124 3.556 -6.868 1.00 0.37 C ATOM 95 O LYS A 7 -2.085 4.776 -7.033 1.00 0.42 O ATOM 96 CB LYS A 7 -2.409 2.651 -9.184 1.00 0.54 C ATOM 97 CG LYS A 7 -1.006 2.071 -9.243 1.00 0.64 C ATOM 98 CD LYS A 7 0.043 3.164 -9.360 1.00 1.01 C ATOM 99 CE LYS A 7 1.069 2.840 -10.434 1.00 0.95 C ATOM 100 NZ LYS A 7 1.623 4.068 -11.064 1.00 1.52 N ATOM 0 H LYS A 7 -4.605 3.676 -8.682 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.020 1.674 -7.367 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.064 2.063 -9.827 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.392 3.664 -9.587 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.818 1.479 -8.347 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -0.926 1.395 -10.095 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.442 4.112 -9.593 1.00 1.01 H new ATOM 0 HD3 LYS A 7 0.546 3.291 -8.401 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.881 2.259 -9.996 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.608 2.216 -11.200 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.318 3.802 -11.790 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.852 4.610 -11.504 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 2.086 4.652 -10.338 1.00 1.52 H new ATOM 114 N PRO A 8 -1.407 2.958 -5.894 1.00 0.34 N ATOM 115 CA PRO A 8 -0.546 3.715 -4.976 1.00 0.32 C ATOM 116 C PRO A 8 0.719 4.240 -5.647 1.00 0.33 C ATOM 117 O PRO A 8 1.477 3.484 -6.254 1.00 0.44 O ATOM 118 CB PRO A 8 -0.184 2.694 -3.884 1.00 0.39 C ATOM 119 CG PRO A 8 -1.107 1.543 -4.105 1.00 0.44 C ATOM 120 CD PRO A 8 -1.362 1.520 -5.584 1.00 0.41 C ATOM 0 HA PRO A 8 -1.054 4.602 -4.599 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.858 2.384 -3.964 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.315 3.119 -2.889 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.658 0.608 -3.768 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.035 1.670 -3.548 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.570 1.007 -6.129 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.297 1.017 -5.832 1.00 0.41 H new ATOM 128 N VAL A 9 0.940 5.544 -5.516 1.00 0.34 N ATOM 129 CA VAL A 9 2.113 6.192 -6.088 1.00 0.38 C ATOM 130 C VAL A 9 2.986 6.746 -4.967 1.00 0.34 C ATOM 131 O VAL A 9 2.635 7.742 -4.335 1.00 0.35 O ATOM 132 CB VAL A 9 1.731 7.348 -7.036 1.00 0.43 C ATOM 133 CG1 VAL A 9 2.872 7.645 -7.998 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.452 7.030 -7.795 1.00 1.09 C ATOM 0 H VAL A 9 0.316 6.176 -5.014 1.00 0.34 H new ATOM 0 HA VAL A 9 2.653 5.441 -6.665 1.00 0.38 H new ATOM 0 HB VAL A 9 1.549 8.238 -6.433 1.00 0.43 H new ATOM 0 HG11 VAL A 9 2.586 8.463 -8.660 1.00 0.53 H new ATOM 0 HG12 VAL A 9 3.760 7.929 -7.433 1.00 0.53 H new ATOM 0 HG13 VAL A 9 3.088 6.757 -8.591 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.205 7.861 -8.456 1.00 1.09 H new ATOM 0 HG22 VAL A 9 0.595 6.126 -8.387 1.00 1.09 H new ATOM 0 HG23 VAL A 9 -0.362 6.875 -7.087 1.00 1.09 H new ATOM 144 N PRO A 10 4.125 6.096 -4.684 1.00 0.34 N ATOM 145 CA PRO A 10 5.018 6.519 -3.618 1.00 0.32 C ATOM 146 C PRO A 10 5.242 8.024 -3.559 1.00 0.37 C ATOM 147 O PRO A 10 6.141 8.562 -4.204 1.00 0.64 O ATOM 148 CB PRO A 10 6.317 5.798 -3.928 1.00 0.38 C ATOM 149 CG PRO A 10 5.901 4.556 -4.635 1.00 0.39 C ATOM 150 CD PRO A 10 4.617 4.883 -5.357 1.00 0.42 C ATOM 0 HA PRO A 10 4.596 6.278 -2.642 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.970 6.409 -4.552 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.870 5.569 -3.017 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.670 4.234 -5.337 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.752 3.739 -3.929 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.790 5.059 -6.419 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.899 4.067 -5.282 1.00 0.42 H new ATOM 158 N LEU A 11 4.426 8.687 -2.753 1.00 0.34 N ATOM 159 CA LEU A 11 4.518 10.115 -2.556 1.00 0.43 C ATOM 160 C LEU A 11 5.917 10.467 -2.048 1.00 0.43 C ATOM 161 O LEU A 11 6.437 11.552 -2.306 1.00 0.57 O ATOM 162 CB LEU A 11 3.427 10.517 -1.558 1.00 0.56 C ATOM 163 CG LEU A 11 3.716 11.714 -0.658 1.00 0.92 C ATOM 164 CD1 LEU A 11 3.565 13.005 -1.441 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.779 11.687 0.539 1.00 1.12 C ATOM 0 H LEU A 11 3.680 8.242 -2.218 1.00 0.34 H new ATOM 0 HA LEU A 11 4.365 10.660 -3.487 1.00 0.43 H new ATOM 0 HB2 LEU A 11 2.516 10.727 -2.119 1.00 0.56 H new ATOM 0 HB3 LEU A 11 3.218 9.658 -0.921 1.00 0.56 H new ATOM 0 HG LEU A 11 4.743 11.659 -0.296 1.00 0.92 H new ATOM 0 HD11 LEU A 11 3.774 13.853 -0.788 1.00 1.64 H new ATOM 0 HD12 LEU A 11 4.266 13.008 -2.276 1.00 1.64 H new ATOM 0 HD13 LEU A 11 2.547 13.082 -1.822 1.00 1.64 H new ATOM 0 HD21 LEU A 11 2.986 12.542 1.182 1.00 1.12 H new ATOM 0 HD22 LEU A 11 1.746 11.734 0.194 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.933 10.765 1.101 1.00 1.12 H new ATOM 177 N ASN A 12 6.514 9.518 -1.331 1.00 0.34 N ATOM 178 CA ASN A 12 7.852 9.671 -0.778 1.00 0.36 C ATOM 179 C ASN A 12 8.419 8.293 -0.466 1.00 0.37 C ATOM 180 O ASN A 12 7.665 7.353 -0.228 1.00 0.58 O ATOM 181 CB ASN A 12 7.821 10.527 0.488 1.00 0.42 C ATOM 182 CG ASN A 12 9.197 11.029 0.880 1.00 0.58 C ATOM 183 OD1 ASN A 12 9.987 10.163 1.506 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 9.547 12.181 0.623 1.00 0.71 N flip ATOM 0 H ASN A 12 6.080 8.620 -1.118 1.00 0.34 H new ATOM 0 HA ASN A 12 8.486 10.174 -1.508 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.158 11.378 0.332 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.403 9.943 1.308 1.00 0.42 H new ATOM 0 HD21 ASN A 12 8.908 12.813 0.140 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.476 12.504 0.893 1.00 0.71 H new ATOM 191 N ILE A 13 9.738 8.160 -0.479 1.00 0.38 N ATOM 192 CA ILE A 13 10.355 6.868 -0.203 1.00 0.43 C ATOM 193 C ILE A 13 11.641 6.998 0.599 1.00 0.53 C ATOM 194 O ILE A 13 12.441 7.907 0.383 1.00 0.75 O ATOM 195 CB ILE A 13 10.650 6.102 -1.501 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.141 7.071 -2.580 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.401 5.351 -1.948 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.262 6.447 -3.945 1.00 0.96 C ATOM 0 H ILE A 13 10.393 8.917 -0.674 1.00 0.38 H new ATOM 0 HA ILE A 13 9.632 6.312 0.394 1.00 0.43 H new ATOM 0 HB ILE A 13 11.440 5.371 -1.326 1.00 0.48 H new ATOM 0 HG12 ILE A 13 10.455 7.916 -2.636 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.112 7.468 -2.284 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.613 4.808 -2.869 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.103 4.646 -1.172 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.593 6.061 -2.123 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.615 7.194 -4.656 1.00 0.96 H new ATOM 0 HD12 ILE A 13 11.971 5.620 -3.905 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.288 6.075 -4.263 1.00 0.96 H new ATOM 210 N THR A 14 11.825 6.066 1.524 1.00 0.59 N ATOM 211 CA THR A 14 13.006 6.036 2.372 1.00 0.71 C ATOM 212 C THR A 14 13.496 4.601 2.528 1.00 0.79 C ATOM 213 O THR A 14 12.699 3.666 2.599 1.00 1.46 O ATOM 214 CB THR A 14 12.699 6.653 3.740 1.00 0.75 C ATOM 215 OG1 THR A 14 11.523 7.441 3.683 1.00 0.69 O ATOM 216 CG2 THR A 14 13.811 7.536 4.261 1.00 0.94 C ATOM 0 H THR A 14 11.162 5.313 1.706 1.00 0.59 H new ATOM 0 HA THR A 14 13.793 6.626 1.902 1.00 0.71 H new ATOM 0 HB THR A 14 12.578 5.807 4.416 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.748 6.890 3.920 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.529 7.941 5.233 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.724 6.949 4.363 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.983 8.355 3.563 1.00 0.94 H new ATOM 224 N ARG A 15 14.810 4.432 2.563 1.00 0.66 N ATOM 225 CA ARG A 15 15.414 3.107 2.689 1.00 0.67 C ATOM 226 C ARG A 15 14.731 2.248 3.756 1.00 0.71 C ATOM 227 O ARG A 15 14.796 1.020 3.695 1.00 1.19 O ATOM 228 CB ARG A 15 16.914 3.213 2.986 1.00 0.80 C ATOM 229 CG ARG A 15 17.323 4.472 3.735 1.00 0.96 C ATOM 230 CD ARG A 15 16.441 4.725 4.947 1.00 1.13 C ATOM 231 NE ARG A 15 17.059 5.657 5.889 1.00 1.43 N ATOM 232 CZ ARG A 15 18.138 5.371 6.608 1.00 1.67 C ATOM 233 NH1 ARG A 15 18.716 4.183 6.496 1.00 2.42 N ATOM 234 NH2 ARG A 15 18.640 6.271 7.442 1.00 1.90 N ATOM 0 H ARG A 15 15.483 5.197 2.506 1.00 0.66 H new ATOM 0 HA ARG A 15 15.272 2.612 1.728 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.218 2.344 3.569 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.461 3.172 2.044 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.361 4.383 4.054 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.269 5.328 3.062 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.481 5.124 4.620 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.239 3.780 5.452 1.00 1.13 H new ATOM 0 HE ARG A 15 16.637 6.579 6.000 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.332 3.487 5.857 1.00 2.42 H new ATOM 0 HH12 ARG A 15 19.545 3.965 7.049 1.00 2.42 H new ATOM 0 HH21 ARG A 15 18.197 7.185 7.532 1.00 1.90 H new ATOM 0 HH22 ARG A 15 19.469 6.049 7.993 1.00 1.90 H new ATOM 248 N HIS A 16 14.084 2.875 4.735 1.00 0.50 N ATOM 249 CA HIS A 16 13.415 2.117 5.791 1.00 0.54 C ATOM 250 C HIS A 16 11.939 2.492 5.932 1.00 0.57 C ATOM 251 O HIS A 16 11.206 1.858 6.692 1.00 0.97 O ATOM 252 CB HIS A 16 14.129 2.323 7.125 1.00 0.67 C ATOM 253 CG HIS A 16 15.404 1.547 7.244 1.00 0.68 C ATOM 254 ND1 HIS A 16 16.410 1.852 8.133 1.00 0.97 N ATOM 255 CD2 HIS A 16 15.827 0.453 6.560 1.00 0.78 C ATOM 256 CE1 HIS A 16 17.392 0.954 7.965 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.087 0.084 7.022 1.00 0.86 N ATOM 0 H HIS A 16 14.008 3.889 4.820 1.00 0.50 H new ATOM 0 HA HIS A 16 13.462 1.066 5.506 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.345 3.384 7.253 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.460 2.034 7.935 1.00 0.67 H new ATOM 0 HD1 HIS A 16 16.409 2.623 8.800 1.00 0.97 H new ATOM 0 HD2 HIS A 16 15.274 -0.051 5.781 1.00 0.78 H new ATOM 0 HE1 HIS A 16 18.313 0.945 8.529 1.00 1.02 H new ATOM 265 N THR A 17 11.501 3.516 5.208 1.00 0.43 N ATOM 266 CA THR A 17 10.109 3.951 5.276 1.00 0.42 C ATOM 267 C THR A 17 9.634 4.468 3.924 1.00 0.38 C ATOM 268 O THR A 17 10.078 5.516 3.459 1.00 0.56 O ATOM 269 CB THR A 17 9.942 5.035 6.341 1.00 0.56 C ATOM 270 OG1 THR A 17 11.101 5.846 6.421 1.00 0.65 O ATOM 271 CG2 THR A 17 9.677 4.478 7.724 1.00 0.68 C ATOM 0 H THR A 17 12.085 4.058 4.571 1.00 0.43 H new ATOM 0 HA THR A 17 9.498 3.090 5.548 1.00 0.42 H new ATOM 0 HB THR A 17 9.075 5.616 6.026 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.972 6.534 7.107 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.568 5.299 8.432 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.761 3.888 7.709 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.511 3.845 8.027 1.00 0.68 H new ATOM 279 N VAL A 18 8.732 3.724 3.297 1.00 0.27 N ATOM 280 CA VAL A 18 8.202 4.105 1.995 1.00 0.33 C ATOM 281 C VAL A 18 6.768 4.628 2.104 1.00 0.32 C ATOM 282 O VAL A 18 5.874 3.932 2.584 1.00 0.51 O ATOM 283 CB VAL A 18 8.256 2.912 1.015 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.564 3.242 -0.300 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.699 2.498 0.769 1.00 0.46 C ATOM 0 H VAL A 18 8.352 2.853 3.669 1.00 0.27 H new ATOM 0 HA VAL A 18 8.828 4.910 1.610 1.00 0.33 H new ATOM 0 HB VAL A 18 7.722 2.078 1.470 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.620 2.381 -0.967 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.519 3.486 -0.110 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.057 4.095 -0.766 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.723 1.656 0.077 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.250 3.336 0.341 1.00 0.46 H new ATOM 0 HG23 VAL A 18 10.159 2.205 1.713 1.00 0.46 H new ATOM 295 N THR A 19 6.565 5.862 1.649 1.00 0.27 N ATOM 296 CA THR A 19 5.250 6.498 1.681 1.00 0.24 C ATOM 297 C THR A 19 4.573 6.408 0.323 1.00 0.22 C ATOM 298 O THR A 19 5.200 6.668 -0.700 1.00 0.34 O ATOM 299 CB THR A 19 5.383 7.974 2.089 1.00 0.28 C ATOM 300 OG1 THR A 19 5.653 8.090 3.475 1.00 0.35 O ATOM 301 CG2 THR A 19 4.153 8.809 1.790 1.00 0.32 C ATOM 0 H THR A 19 7.301 6.446 1.251 1.00 0.27 H new ATOM 0 HA THR A 19 4.639 5.972 2.415 1.00 0.24 H new ATOM 0 HB THR A 19 6.208 8.356 1.488 1.00 0.28 H new ATOM 0 HG1 THR A 19 5.798 9.032 3.702 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.326 9.838 2.107 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.951 8.788 0.719 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.297 8.402 2.329 1.00 0.32 H new ATOM 309 N LEU A 20 3.285 6.059 0.324 1.00 0.28 N ATOM 310 CA LEU A 20 2.530 5.963 -0.916 1.00 0.26 C ATOM 311 C LEU A 20 1.137 6.567 -0.766 1.00 0.28 C ATOM 312 O LEU A 20 0.492 6.462 0.288 1.00 0.40 O ATOM 313 CB LEU A 20 2.437 4.515 -1.427 1.00 0.33 C ATOM 314 CG LEU A 20 2.810 3.415 -0.428 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.270 3.526 -0.028 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.908 3.456 0.794 1.00 0.52 C ATOM 0 H LEU A 20 2.751 5.841 1.165 1.00 0.28 H new ATOM 0 HA LEU A 20 3.078 6.540 -1.661 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.416 4.337 -1.766 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.084 4.418 -2.299 1.00 0.33 H new ATOM 0 HG LEU A 20 2.663 2.452 -0.917 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.514 2.736 0.682 1.00 0.50 H new ATOM 0 HD12 LEU A 20 4.898 3.426 -0.913 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.448 4.497 0.435 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.196 2.664 1.486 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.008 4.423 1.288 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.872 3.311 0.487 1.00 0.52 H new ATOM 328 N LYS A 21 0.693 7.209 -1.840 1.00 0.25 N ATOM 329 CA LYS A 21 -0.613 7.854 -1.884 1.00 0.31 C ATOM 330 C LYS A 21 -1.399 7.361 -3.098 1.00 0.31 C ATOM 331 O LYS A 21 -0.810 7.022 -4.124 1.00 0.51 O ATOM 332 CB LYS A 21 -0.441 9.375 -1.957 1.00 0.40 C ATOM 333 CG LYS A 21 -1.681 10.154 -1.547 1.00 0.81 C ATOM 334 CD LYS A 21 -2.775 10.046 -2.596 1.00 0.95 C ATOM 335 CE LYS A 21 -3.268 11.414 -3.037 1.00 1.26 C ATOM 336 NZ LYS A 21 -2.590 11.873 -4.282 1.00 1.84 N ATOM 0 H LYS A 21 1.228 7.297 -2.704 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.164 7.601 -0.978 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.390 9.668 -1.315 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.170 9.652 -2.976 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -2.051 9.777 -0.593 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.421 11.202 -1.396 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.398 9.499 -3.460 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.609 9.471 -2.194 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.345 11.376 -3.203 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -3.093 12.137 -2.240 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -2.954 12.810 -4.550 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -1.565 11.934 -4.117 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -2.778 11.196 -5.049 1.00 1.84 H new ATOM 350 N TRP A 22 -2.728 7.321 -2.990 1.00 0.25 N ATOM 351 CA TRP A 22 -3.554 6.864 -4.105 1.00 0.24 C ATOM 352 C TRP A 22 -4.864 7.639 -4.213 1.00 0.24 C ATOM 353 O TRP A 22 -5.104 8.591 -3.476 1.00 0.40 O ATOM 354 CB TRP A 22 -3.846 5.376 -3.970 1.00 0.27 C ATOM 355 CG TRP A 22 -4.435 4.985 -2.655 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.745 4.722 -2.389 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.731 4.801 -1.427 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.898 4.384 -1.068 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.677 4.428 -0.455 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.392 4.917 -1.058 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.325 4.168 0.865 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.040 4.657 0.254 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.005 4.286 1.203 1.00 0.32 C ATOM 0 H TRP A 22 -3.247 7.595 -2.156 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.987 7.047 -5.018 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.530 5.078 -4.765 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.920 4.820 -4.121 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.546 4.772 -3.112 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.780 4.140 -0.617 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.644 5.204 -1.782 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.067 3.883 1.596 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.006 4.741 0.553 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.699 4.090 2.220 1.00 0.32 H new ATOM 374 N ALA A 23 -5.703 7.213 -5.153 1.00 0.31 N ATOM 375 CA ALA A 23 -6.993 7.847 -5.389 1.00 0.33 C ATOM 376 C ALA A 23 -8.074 7.266 -4.482 1.00 0.36 C ATOM 377 O ALA A 23 -7.795 6.451 -3.606 1.00 0.83 O ATOM 378 CB ALA A 23 -7.383 7.676 -6.850 1.00 0.36 C ATOM 0 H ALA A 23 -5.508 6.423 -5.768 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.903 8.908 -5.156 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.348 8.150 -7.027 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.629 8.141 -7.485 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.452 6.614 -7.086 1.00 0.36 H new ATOM 384 N LYS A 24 -9.312 7.690 -4.704 1.00 0.59 N ATOM 385 CA LYS A 24 -10.443 7.213 -3.918 1.00 0.61 C ATOM 386 C LYS A 24 -11.356 6.354 -4.788 1.00 0.59 C ATOM 387 O LYS A 24 -11.626 6.703 -5.937 1.00 0.69 O ATOM 388 CB LYS A 24 -11.220 8.406 -3.350 1.00 0.74 C ATOM 389 CG LYS A 24 -12.380 8.022 -2.445 1.00 1.21 C ATOM 390 CD LYS A 24 -13.579 7.539 -3.244 1.00 1.22 C ATOM 391 CE LYS A 24 -14.886 8.041 -2.650 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.025 9.518 -2.781 1.00 2.11 N ATOM 0 H LYS A 24 -9.559 8.367 -5.426 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.075 6.606 -3.091 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.532 9.040 -2.791 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.602 9.003 -4.178 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -12.061 7.239 -1.757 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.668 8.881 -1.839 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.492 7.882 -4.275 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.585 6.449 -3.270 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -15.723 7.552 -3.149 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.936 7.764 -1.597 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.032 9.775 -2.756 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -14.529 9.984 -1.995 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -14.611 9.827 -3.684 1.00 2.11 H new ATOM 406 N PRO A 25 -11.847 5.214 -4.260 1.00 0.56 N ATOM 407 CA PRO A 25 -12.731 4.308 -4.991 1.00 0.63 C ATOM 408 C PRO A 25 -13.705 5.046 -5.909 1.00 0.75 C ATOM 409 O PRO A 25 -14.046 6.204 -5.667 1.00 0.89 O ATOM 410 CB PRO A 25 -13.484 3.569 -3.872 1.00 0.63 C ATOM 411 CG PRO A 25 -12.919 4.079 -2.577 1.00 0.71 C ATOM 412 CD PRO A 25 -11.597 4.703 -2.911 1.00 0.58 C ATOM 0 HA PRO A 25 -12.176 3.647 -5.657 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.555 3.761 -3.931 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.348 2.491 -3.958 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.589 4.808 -2.121 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.796 3.267 -1.860 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.331 5.498 -2.214 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.784 3.977 -2.892 1.00 0.58 H new ATOM 420 N GLU A 26 -14.137 4.369 -6.969 1.00 0.85 N ATOM 421 CA GLU A 26 -15.059 4.962 -7.936 1.00 1.05 C ATOM 422 C GLU A 26 -16.507 4.884 -7.462 1.00 0.95 C ATOM 423 O GLU A 26 -17.276 5.829 -7.643 1.00 1.12 O ATOM 424 CB GLU A 26 -14.920 4.273 -9.298 1.00 1.29 C ATOM 425 CG GLU A 26 -14.797 2.759 -9.212 1.00 1.83 C ATOM 426 CD GLU A 26 -15.299 2.059 -10.459 1.00 2.18 C ATOM 427 OE1 GLU A 26 -15.462 2.737 -11.495 1.00 2.53 O ATOM 428 OE2 GLU A 26 -15.530 0.834 -10.399 1.00 2.77 O ATOM 0 H GLU A 26 -13.864 3.409 -7.181 1.00 0.85 H new ATOM 0 HA GLU A 26 -14.794 6.015 -8.033 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.786 4.523 -9.911 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -14.043 4.671 -9.808 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.753 2.492 -9.046 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -15.358 2.402 -8.349 1.00 1.83 H new ATOM 435 N TYR A 27 -16.884 3.759 -6.863 1.00 0.85 N ATOM 436 CA TYR A 27 -18.249 3.583 -6.381 1.00 0.84 C ATOM 437 C TYR A 27 -18.281 3.074 -4.944 1.00 0.86 C ATOM 438 O TYR A 27 -18.780 3.752 -4.047 1.00 1.37 O ATOM 439 CB TYR A 27 -19.012 2.611 -7.279 1.00 0.86 C ATOM 440 CG TYR A 27 -20.511 2.681 -7.094 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.223 3.822 -7.442 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.216 1.600 -6.577 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.595 3.885 -7.277 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.587 1.656 -6.410 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.268 2.820 -6.747 1.00 1.19 C ATOM 446 OH TYR A 27 -24.636 2.861 -6.598 1.00 1.35 O ATOM 0 H TYR A 27 -16.269 2.962 -6.701 1.00 0.85 H new ATOM 0 HA TYR A 27 -18.728 4.562 -6.409 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.771 2.823 -8.321 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.674 1.595 -7.074 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.697 4.673 -7.848 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.684 0.702 -6.301 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.134 4.775 -7.567 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.124 0.803 -6.021 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.948 2.018 -6.207 1.00 1.35 H new ATOM 456 N THR A 28 -17.755 1.871 -4.740 1.00 0.65 N ATOM 457 CA THR A 28 -17.730 1.262 -3.417 1.00 0.61 C ATOM 458 C THR A 28 -19.120 1.265 -2.794 1.00 0.66 C ATOM 459 O THR A 28 -19.286 1.604 -1.623 1.00 0.81 O ATOM 460 CB THR A 28 -16.742 1.985 -2.504 1.00 0.64 C ATOM 461 OG1 THR A 28 -16.836 3.390 -2.663 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.308 1.587 -2.762 1.00 0.79 C ATOM 0 H THR A 28 -17.340 1.299 -5.475 1.00 0.65 H new ATOM 0 HA THR A 28 -17.403 0.229 -3.531 1.00 0.61 H new ATOM 0 HB THR A 28 -17.014 1.692 -1.490 1.00 0.64 H new ATOM 0 HG1 THR A 28 -17.776 3.644 -2.774 1.00 0.91 H new ATOM 0 HG21 THR A 28 -14.651 2.132 -2.084 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.192 0.516 -2.596 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.044 1.825 -3.792 1.00 0.79 H new ATOM 470 N GLY A 29 -20.121 0.885 -3.586 1.00 0.75 N ATOM 471 CA GLY A 29 -21.488 0.852 -3.093 1.00 0.80 C ATOM 472 C GLY A 29 -21.859 2.120 -2.348 1.00 0.85 C ATOM 473 O GLY A 29 -21.943 3.196 -2.940 1.00 1.01 O ATOM 0 H GLY A 29 -20.010 0.600 -4.559 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.171 0.712 -3.931 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.614 -0.006 -2.432 1.00 0.80 H new ATOM 477 N GLY A 30 -22.061 1.993 -1.045 1.00 0.83 N ATOM 478 CA GLY A 30 -22.397 3.137 -0.223 1.00 0.89 C ATOM 479 C GLY A 30 -21.413 3.274 0.918 1.00 0.85 C ATOM 480 O GLY A 30 -21.747 3.775 1.992 1.00 0.98 O ATOM 0 H GLY A 30 -21.997 1.110 -0.539 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.389 4.043 -0.829 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.407 3.026 0.171 1.00 0.89 H new ATOM 484 N PHE A 31 -20.195 2.800 0.674 1.00 0.73 N ATOM 485 CA PHE A 31 -19.131 2.829 1.666 1.00 0.69 C ATOM 486 C PHE A 31 -18.001 3.758 1.229 1.00 0.67 C ATOM 487 O PHE A 31 -18.008 4.277 0.113 1.00 0.74 O ATOM 488 CB PHE A 31 -18.572 1.414 1.886 1.00 0.63 C ATOM 489 CG PHE A 31 -19.428 0.306 1.318 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.610 -0.055 1.943 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.053 -0.366 0.161 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.403 -1.063 1.429 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.843 -1.375 -0.356 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.020 -1.723 0.278 1.00 0.83 C ATOM 0 H PHE A 31 -19.920 2.386 -0.217 1.00 0.73 H new ATOM 0 HA PHE A 31 -19.552 3.204 2.599 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.580 1.355 1.438 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.449 1.248 2.956 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -20.916 0.458 2.843 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.135 -0.097 -0.339 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.322 -1.335 1.927 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.540 -1.891 -1.255 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.640 -2.510 -0.126 1.00 0.83 H new ATOM 504 N LYS A 32 -17.029 3.961 2.114 1.00 0.68 N ATOM 505 CA LYS A 32 -15.891 4.825 1.816 1.00 0.72 C ATOM 506 C LYS A 32 -14.583 4.251 2.367 1.00 0.66 C ATOM 507 O LYS A 32 -13.559 4.934 2.377 1.00 0.74 O ATOM 508 CB LYS A 32 -16.123 6.221 2.393 1.00 0.86 C ATOM 509 CG LYS A 32 -16.168 6.252 3.913 1.00 1.38 C ATOM 510 CD LYS A 32 -15.558 7.531 4.464 1.00 1.38 C ATOM 511 CE LYS A 32 -14.356 7.241 5.346 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.754 6.630 6.644 1.00 2.26 N ATOM 0 H LYS A 32 -17.007 3.539 3.042 1.00 0.68 H new ATOM 0 HA LYS A 32 -15.802 4.887 0.731 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -15.330 6.884 2.048 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.061 6.615 2.002 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -17.201 6.167 4.249 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -15.631 5.391 4.311 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -15.257 8.177 3.639 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -16.308 8.075 5.038 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -13.675 6.570 4.822 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -13.811 8.166 5.532 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -14.008 5.980 6.965 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.890 7.379 7.353 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -15.643 6.103 6.522 1.00 2.26 H new ATOM 526 N ILE A 33 -14.616 3.001 2.825 1.00 0.67 N ATOM 527 CA ILE A 33 -13.428 2.360 3.374 1.00 0.66 C ATOM 528 C ILE A 33 -12.887 3.138 4.570 1.00 0.80 C ATOM 529 O ILE A 33 -12.469 4.289 4.440 1.00 1.71 O ATOM 530 CB ILE A 33 -12.321 2.221 2.311 1.00 0.59 C ATOM 531 CG1 ILE A 33 -12.887 1.505 1.068 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.126 1.483 2.907 1.00 0.58 C ATOM 533 CD1 ILE A 33 -11.869 0.754 0.226 1.00 0.91 C ATOM 0 H ILE A 33 -15.451 2.415 2.826 1.00 0.67 H new ATOM 0 HA ILE A 33 -13.727 1.364 3.702 1.00 0.66 H new ATOM 0 HB ILE A 33 -11.974 3.205 1.996 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -13.654 0.802 1.393 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -13.380 2.245 0.437 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.345 1.386 2.153 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -10.740 2.043 3.759 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.438 0.492 3.236 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -12.371 0.288 -0.622 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -11.113 1.450 -0.138 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -11.391 -0.015 0.833 1.00 0.91 H new ATOM 545 N THR A 34 -12.906 2.504 5.738 1.00 0.72 N ATOM 546 CA THR A 34 -12.425 3.139 6.961 1.00 0.73 C ATOM 547 C THR A 34 -11.113 2.519 7.432 1.00 0.59 C ATOM 548 O THR A 34 -10.817 2.509 8.627 1.00 0.76 O ATOM 549 CB THR A 34 -13.477 3.020 8.066 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.351 1.783 8.746 1.00 1.09 O ATOM 551 CG2 THR A 34 -14.900 3.120 7.558 1.00 1.15 C ATOM 0 H THR A 34 -13.249 1.552 5.864 1.00 0.72 H new ATOM 0 HA THR A 34 -12.245 4.191 6.740 1.00 0.73 H new ATOM 0 HB THR A 34 -13.288 3.861 8.733 1.00 0.99 H new ATOM 0 HG1 THR A 34 -12.528 1.784 9.278 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.592 3.027 8.395 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.046 4.084 7.071 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.088 2.320 6.842 1.00 1.15 H new ATOM 559 N SER A 35 -10.326 2.005 6.492 1.00 0.49 N ATOM 560 CA SER A 35 -9.046 1.387 6.827 1.00 0.47 C ATOM 561 C SER A 35 -8.399 0.752 5.601 1.00 0.45 C ATOM 562 O SER A 35 -8.836 -0.298 5.132 1.00 0.72 O ATOM 563 CB SER A 35 -9.237 0.326 7.911 1.00 0.64 C ATOM 564 OG SER A 35 -10.602 -0.035 8.039 1.00 1.58 O ATOM 0 H SER A 35 -10.550 2.003 5.497 1.00 0.49 H new ATOM 0 HA SER A 35 -8.387 2.172 7.198 1.00 0.47 H new ATOM 0 HB2 SER A 35 -8.646 -0.557 7.668 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.867 0.705 8.864 1.00 0.64 H new ATOM 0 HG SER A 35 -10.696 -0.716 8.738 1.00 1.58 H new ATOM 570 N TYR A 36 -7.349 1.391 5.087 1.00 0.27 N ATOM 571 CA TYR A 36 -6.644 0.878 3.921 1.00 0.28 C ATOM 572 C TYR A 36 -5.445 0.030 4.337 1.00 0.33 C ATOM 573 O TYR A 36 -4.574 0.487 5.073 1.00 0.68 O ATOM 574 CB TYR A 36 -6.179 2.033 3.033 1.00 0.29 C ATOM 575 CG TYR A 36 -7.302 2.913 2.533 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.291 2.406 1.699 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.373 4.252 2.896 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.318 3.210 1.241 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.395 5.062 2.442 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.365 4.537 1.615 1.00 0.60 C ATOM 581 OH TYR A 36 -10.386 5.341 1.162 1.00 0.76 O ATOM 0 H TYR A 36 -6.971 2.262 5.461 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.334 0.249 3.359 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.472 2.646 3.592 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.641 1.626 2.177 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.257 1.368 1.404 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.616 4.667 3.545 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.080 2.801 0.594 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.434 6.101 2.733 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.272 6.247 1.519 1.00 0.76 H new ATOM 591 N ILE A 37 -5.402 -1.205 3.853 1.00 0.24 N ATOM 592 CA ILE A 37 -4.301 -2.110 4.166 1.00 0.26 C ATOM 593 C ILE A 37 -3.282 -2.084 3.036 1.00 0.33 C ATOM 594 O ILE A 37 -3.656 -2.000 1.871 1.00 0.70 O ATOM 595 CB ILE A 37 -4.777 -3.566 4.367 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.204 -3.605 4.922 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.824 -4.312 5.289 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.363 -2.891 6.245 1.00 1.14 C ATOM 0 H ILE A 37 -6.116 -1.603 3.243 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.857 -1.765 5.100 1.00 0.26 H new ATOM 0 HB ILE A 37 -4.780 -4.060 3.396 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.880 -3.156 4.194 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.509 -4.645 5.042 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.173 -5.336 5.421 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.826 -4.322 4.850 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.789 -3.813 6.257 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.400 -2.961 6.574 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -5.714 -3.354 6.988 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.090 -1.842 6.128 1.00 1.14 H new ATOM 610 N VAL A 38 -2.000 -2.150 3.373 1.00 0.36 N ATOM 611 CA VAL A 38 -0.959 -2.126 2.353 1.00 0.42 C ATOM 612 C VAL A 38 -0.089 -3.374 2.397 1.00 0.35 C ATOM 613 O VAL A 38 0.894 -3.431 3.137 1.00 0.48 O ATOM 614 CB VAL A 38 -0.044 -0.892 2.485 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.731 -0.671 1.193 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.844 0.346 2.856 1.00 0.46 C ATOM 0 H VAL A 38 -1.659 -2.220 4.332 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.487 -2.084 1.400 1.00 0.42 H new ATOM 0 HB VAL A 38 0.668 -1.078 3.289 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.373 0.203 1.299 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.343 -1.548 0.981 1.00 0.51 H new ATOM 0 HG13 VAL A 38 0.032 -0.510 0.372 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.173 1.201 2.942 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.587 0.544 2.083 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.347 0.182 3.809 1.00 0.46 H new ATOM 626 N GLU A 39 -0.441 -4.365 1.589 1.00 0.30 N ATOM 627 CA GLU A 39 0.327 -5.597 1.526 1.00 0.33 C ATOM 628 C GLU A 39 1.689 -5.309 0.903 1.00 0.32 C ATOM 629 O GLU A 39 1.786 -4.558 -0.067 1.00 0.43 O ATOM 630 CB GLU A 39 -0.418 -6.653 0.708 1.00 0.42 C ATOM 631 CG GLU A 39 -1.814 -6.952 1.233 1.00 0.51 C ATOM 632 CD GLU A 39 -2.059 -8.435 1.424 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.771 -9.210 0.488 1.00 1.52 O ATOM 634 OE2 GLU A 39 -2.539 -8.822 2.511 1.00 1.67 O ATOM 0 H GLU A 39 -1.252 -4.338 0.970 1.00 0.30 H new ATOM 0 HA GLU A 39 0.464 -5.985 2.535 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.492 -6.315 -0.326 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.165 -7.574 0.702 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.959 -6.438 2.183 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.553 -6.552 0.539 1.00 0.51 H new ATOM 641 N LYS A 40 2.737 -5.893 1.465 1.00 0.28 N ATOM 642 CA LYS A 40 4.085 -5.671 0.951 1.00 0.31 C ATOM 643 C LYS A 40 4.659 -6.931 0.324 1.00 0.29 C ATOM 644 O LYS A 40 4.571 -8.019 0.892 1.00 0.35 O ATOM 645 CB LYS A 40 5.016 -5.188 2.066 1.00 0.43 C ATOM 646 CG LYS A 40 4.727 -5.817 3.417 1.00 0.92 C ATOM 647 CD LYS A 40 5.996 -5.987 4.234 1.00 1.14 C ATOM 648 CE LYS A 40 6.305 -7.454 4.484 1.00 1.65 C ATOM 649 NZ LYS A 40 6.102 -7.829 5.909 1.00 1.97 N ATOM 0 H LYS A 40 2.684 -6.518 2.269 1.00 0.28 H new ATOM 0 HA LYS A 40 4.013 -4.903 0.181 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.047 -5.406 1.787 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.932 -4.105 2.154 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.020 -5.195 3.966 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.252 -6.788 3.274 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.832 -5.522 3.711 1.00 1.14 H new ATOM 0 HD3 LYS A 40 5.889 -5.469 5.187 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.668 -8.072 3.852 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.336 -7.662 4.197 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 6.323 -8.837 6.038 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 6.728 -7.257 6.511 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 5.112 -7.655 6.176 1.00 1.97 H new ATOM 663 N ARG A 41 5.261 -6.770 -0.846 1.00 0.36 N ATOM 664 CA ARG A 41 5.869 -7.887 -1.548 1.00 0.40 C ATOM 665 C ARG A 41 7.385 -7.766 -1.499 1.00 0.41 C ATOM 666 O ARG A 41 7.977 -6.943 -2.205 1.00 0.43 O ATOM 667 CB ARG A 41 5.385 -7.947 -2.999 1.00 0.46 C ATOM 668 CG ARG A 41 5.915 -9.151 -3.764 1.00 0.58 C ATOM 669 CD ARG A 41 4.864 -9.740 -4.687 1.00 0.88 C ATOM 670 NE ARG A 41 4.759 -8.997 -5.940 1.00 0.95 N ATOM 671 CZ ARG A 41 4.201 -9.485 -7.043 1.00 1.13 C ATOM 672 NH1 ARG A 41 3.697 -10.711 -7.048 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.146 -8.747 -8.142 1.00 1.44 N ATOM 0 H ARG A 41 5.340 -5.875 -1.328 1.00 0.36 H new ATOM 0 HA ARG A 41 5.570 -8.812 -1.054 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.295 -7.970 -3.010 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.690 -7.036 -3.514 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.787 -8.856 -4.348 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.247 -9.913 -3.058 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.111 -10.780 -4.901 1.00 0.88 H new ATOM 0 HD3 ARG A 41 3.897 -9.740 -4.183 1.00 0.88 H new ATOM 0 HE ARG A 41 5.135 -8.049 -5.970 1.00 0.95 H new ATOM 0 HH11 ARG A 41 3.737 -11.282 -6.204 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.269 -11.083 -7.896 1.00 1.44 H new ATOM 0 HH21 ARG A 41 4.532 -7.803 -8.142 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.717 -9.123 -8.988 1.00 1.44 H new ATOM 687 N ASP A 42 8.005 -8.583 -0.652 1.00 0.50 N ATOM 688 CA ASP A 42 9.454 -8.571 -0.495 1.00 0.57 C ATOM 689 C ASP A 42 10.131 -9.181 -1.713 1.00 0.62 C ATOM 690 O ASP A 42 10.496 -10.357 -1.713 1.00 0.91 O ATOM 691 CB ASP A 42 9.867 -9.332 0.769 1.00 0.71 C ATOM 692 CG ASP A 42 8.868 -9.178 1.900 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.388 -8.045 2.116 1.00 1.49 O ATOM 694 OD2 ASP A 42 8.567 -10.188 2.570 1.00 1.59 O ATOM 0 H ASP A 42 7.524 -9.263 -0.063 1.00 0.50 H new ATOM 0 HA ASP A 42 9.774 -7.533 -0.399 1.00 0.57 H new ATOM 0 HB2 ASP A 42 9.979 -10.390 0.531 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.842 -8.975 1.100 1.00 0.71 H new ATOM 699 N LEU A 43 10.292 -8.374 -2.752 1.00 0.63 N ATOM 700 CA LEU A 43 10.921 -8.829 -3.983 1.00 0.68 C ATOM 701 C LEU A 43 12.254 -9.518 -3.697 1.00 0.81 C ATOM 702 O LEU A 43 12.879 -9.269 -2.667 1.00 0.90 O ATOM 703 CB LEU A 43 11.128 -7.647 -4.931 1.00 0.62 C ATOM 704 CG LEU A 43 9.942 -7.331 -5.851 1.00 0.64 C ATOM 705 CD1 LEU A 43 8.620 -7.484 -5.112 1.00 0.70 C ATOM 706 CD2 LEU A 43 10.068 -5.926 -6.410 1.00 0.80 C ATOM 0 H LEU A 43 9.995 -7.398 -2.767 1.00 0.63 H new ATOM 0 HA LEU A 43 10.261 -9.556 -4.456 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.353 -6.761 -4.337 1.00 0.62 H new ATOM 0 HB3 LEU A 43 12.003 -7.847 -5.549 1.00 0.62 H new ATOM 0 HG LEU A 43 9.956 -8.044 -6.676 1.00 0.64 H new ATOM 0 HD11 LEU A 43 7.797 -7.254 -5.788 1.00 0.70 H new ATOM 0 HD12 LEU A 43 8.520 -8.509 -4.754 1.00 0.70 H new ATOM 0 HD13 LEU A 43 8.596 -6.799 -4.264 1.00 0.70 H new ATOM 0 HD21 LEU A 43 9.219 -5.716 -7.061 1.00 0.80 H new ATOM 0 HD22 LEU A 43 10.083 -5.208 -5.590 1.00 0.80 H new ATOM 0 HD23 LEU A 43 10.993 -5.843 -6.981 1.00 0.80 H new ATOM 718 N PRO A 44 12.708 -10.405 -4.605 1.00 0.92 N ATOM 719 CA PRO A 44 11.999 -10.734 -5.842 1.00 0.99 C ATOM 720 C PRO A 44 10.997 -11.875 -5.666 1.00 1.15 C ATOM 721 O PRO A 44 10.775 -12.661 -6.587 1.00 1.43 O ATOM 722 CB PRO A 44 13.140 -11.161 -6.760 1.00 1.15 C ATOM 723 CG PRO A 44 14.131 -11.807 -5.849 1.00 1.25 C ATOM 724 CD PRO A 44 13.968 -11.159 -4.492 1.00 1.08 C ATOM 0 HA PRO A 44 11.400 -9.903 -6.214 1.00 0.99 H new ATOM 0 HB2 PRO A 44 12.794 -11.855 -7.526 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.575 -10.306 -7.277 1.00 1.15 H new ATOM 0 HG2 PRO A 44 13.956 -12.881 -5.788 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.146 -11.670 -6.223 1.00 1.25 H new ATOM 0 HD2 PRO A 44 13.917 -11.904 -3.698 1.00 1.08 H new ATOM 0 HD3 PRO A 44 14.807 -10.502 -4.260 1.00 1.08 H new ATOM 732 N ASN A 45 10.397 -11.966 -4.481 1.00 1.14 N ATOM 733 CA ASN A 45 9.423 -13.021 -4.199 1.00 1.33 C ATOM 734 C ASN A 45 8.226 -12.472 -3.424 1.00 1.43 C ATOM 735 O ASN A 45 7.154 -12.256 -3.990 1.00 2.42 O ATOM 736 CB ASN A 45 10.059 -14.184 -3.413 1.00 1.66 C ATOM 737 CG ASN A 45 11.565 -14.063 -3.248 1.00 1.93 C ATOM 738 OD1 ASN A 45 12.052 -13.568 -2.232 1.00 2.66 O ATOM 739 ND2 ASN A 45 12.308 -14.515 -4.252 1.00 1.89 N ATOM 0 H ASN A 45 10.566 -11.327 -3.704 1.00 1.14 H new ATOM 0 HA ASN A 45 9.079 -13.401 -5.161 1.00 1.33 H new ATOM 0 HB2 ASN A 45 9.598 -14.238 -2.427 1.00 1.66 H new ATOM 0 HB3 ASN A 45 9.833 -15.121 -3.922 1.00 1.66 H new ATOM 0 HD21 ASN A 45 13.325 -14.459 -4.199 1.00 1.89 H new ATOM 0 HD22 ASN A 45 11.861 -14.918 -5.076 1.00 1.89 H new ATOM 746 N GLY A 46 8.415 -12.253 -2.126 1.00 0.90 N ATOM 747 CA GLY A 46 7.344 -11.733 -1.293 1.00 1.12 C ATOM 748 C GLY A 46 6.052 -12.521 -1.434 1.00 0.76 C ATOM 749 O GLY A 46 6.011 -13.540 -2.124 1.00 0.96 O ATOM 0 H GLY A 46 9.292 -12.427 -1.635 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.661 -11.748 -0.250 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.159 -10.691 -1.555 1.00 1.12 H new ATOM 753 N ARG A 47 4.996 -12.047 -0.778 1.00 0.80 N ATOM 754 CA ARG A 47 3.694 -12.714 -0.829 1.00 0.76 C ATOM 755 C ARG A 47 2.587 -11.771 -0.361 1.00 0.85 C ATOM 756 O ARG A 47 1.580 -12.205 0.200 1.00 1.71 O ATOM 757 CB ARG A 47 3.685 -13.990 0.032 1.00 0.99 C ATOM 758 CG ARG A 47 4.905 -14.157 0.930 1.00 1.31 C ATOM 759 CD ARG A 47 5.059 -12.988 1.890 1.00 1.11 C ATOM 760 NE ARG A 47 5.402 -13.430 3.238 1.00 1.41 N ATOM 761 CZ ARG A 47 6.622 -13.820 3.598 1.00 1.71 C ATOM 762 NH1 ARG A 47 7.608 -13.820 2.711 1.00 2.41 N ATOM 763 NH2 ARG A 47 6.854 -14.210 4.843 1.00 2.03 N ATOM 0 H ARG A 47 5.014 -11.204 -0.204 1.00 0.80 H new ATOM 0 HA ARG A 47 3.511 -12.995 -1.866 1.00 0.76 H new ATOM 0 HB2 ARG A 47 2.790 -13.987 0.654 1.00 0.99 H new ATOM 0 HB3 ARG A 47 3.613 -14.856 -0.626 1.00 0.99 H new ATOM 0 HG2 ARG A 47 4.816 -15.084 1.496 1.00 1.31 H new ATOM 0 HG3 ARG A 47 5.801 -14.244 0.315 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.833 -12.315 1.521 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.130 -12.419 1.920 1.00 1.11 H new ATOM 0 HE ARG A 47 4.665 -13.440 3.943 1.00 1.41 H new ATOM 0 HH11 ARG A 47 7.431 -13.521 1.752 1.00 2.41 H new ATOM 0 HH12 ARG A 47 8.543 -14.119 2.988 1.00 2.41 H new ATOM 0 HH21 ARG A 47 6.097 -14.211 5.526 1.00 2.03 H new ATOM 0 HH22 ARG A 47 7.790 -14.509 5.118 1.00 2.03 H new ATOM 777 N TRP A 48 2.788 -10.479 -0.597 1.00 0.50 N ATOM 778 CA TRP A 48 1.825 -9.456 -0.210 1.00 0.43 C ATOM 779 C TRP A 48 1.314 -9.675 1.209 1.00 0.45 C ATOM 780 O TRP A 48 0.384 -10.449 1.435 1.00 0.65 O ATOM 781 CB TRP A 48 0.657 -9.427 -1.184 1.00 0.47 C ATOM 782 CG TRP A 48 1.089 -9.229 -2.600 1.00 0.45 C ATOM 783 CD1 TRP A 48 0.970 -10.121 -3.624 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.722 -8.068 -3.147 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.490 -9.585 -4.775 1.00 0.50 N ATOM 786 CE2 TRP A 48 1.958 -8.326 -4.509 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.114 -6.835 -2.619 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.565 -7.399 -5.348 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.717 -5.915 -3.453 1.00 0.36 C ATOM 790 CH2 TRP A 48 2.937 -6.202 -4.804 1.00 0.38 C ATOM 0 H TRP A 48 3.620 -10.113 -1.060 1.00 0.50 H new ATOM 0 HA TRP A 48 2.339 -8.495 -0.239 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.101 -10.361 -1.106 1.00 0.47 H new ATOM 0 HB3 TRP A 48 -0.026 -8.626 -0.902 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.531 -11.104 -3.541 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.523 -10.050 -5.683 1.00 0.50 H new ATOM 0 HE3 TRP A 48 1.948 -6.606 -1.577 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.736 -7.617 -6.392 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.024 -4.959 -3.056 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.411 -5.461 -5.431 1.00 0.38 H new ATOM 801 N LEU A 49 1.928 -8.983 2.157 1.00 0.38 N ATOM 802 CA LEU A 49 1.543 -9.087 3.557 1.00 0.42 C ATOM 803 C LEU A 49 1.367 -7.699 4.159 1.00 0.36 C ATOM 804 O LEU A 49 2.284 -6.879 4.123 1.00 0.39 O ATOM 805 CB LEU A 49 2.602 -9.869 4.338 1.00 0.52 C ATOM 806 CG LEU A 49 2.129 -11.202 4.922 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.502 -12.067 3.839 1.00 0.84 C ATOM 808 CD2 LEU A 49 3.286 -11.930 5.590 1.00 1.28 C ATOM 0 H LEU A 49 2.700 -8.340 1.981 1.00 0.38 H new ATOM 0 HA LEU A 49 0.594 -9.620 3.621 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.449 -10.060 3.679 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.966 -9.243 5.152 1.00 0.52 H new ATOM 0 HG LEU A 49 1.370 -10.999 5.678 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.172 -13.011 4.273 1.00 0.84 H new ATOM 0 HD12 LEU A 49 0.647 -11.547 3.408 1.00 0.84 H new ATOM 0 HD13 LEU A 49 2.238 -12.264 3.059 1.00 0.84 H new ATOM 0 HD21 LEU A 49 2.932 -12.876 6.000 1.00 1.28 H new ATOM 0 HD22 LEU A 49 4.068 -12.123 4.855 1.00 1.28 H new ATOM 0 HD23 LEU A 49 3.688 -11.314 6.394 1.00 1.28 H new ATOM 820 N LYS A 50 0.186 -7.431 4.710 1.00 0.40 N ATOM 821 CA LYS A 50 -0.090 -6.130 5.310 1.00 0.40 C ATOM 822 C LYS A 50 1.038 -5.712 6.252 1.00 0.47 C ATOM 823 O LYS A 50 1.561 -6.527 7.013 1.00 0.85 O ATOM 824 CB LYS A 50 -1.427 -6.154 6.056 1.00 0.59 C ATOM 825 CG LYS A 50 -1.426 -7.024 7.303 1.00 0.72 C ATOM 826 CD LYS A 50 -2.336 -6.458 8.379 1.00 1.03 C ATOM 827 CE LYS A 50 -3.781 -6.878 8.167 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.671 -6.375 9.250 1.00 1.30 N ATOM 0 H LYS A 50 -0.589 -8.092 4.753 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.153 -5.395 4.507 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.692 -5.135 6.337 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.203 -6.510 5.378 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.750 -8.032 7.045 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.410 -7.105 7.690 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -1.998 -6.797 9.358 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.269 -5.370 8.378 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -4.131 -6.502 7.206 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.840 -7.966 8.124 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -5.647 -6.683 9.068 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.353 -6.754 10.165 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.635 -5.336 9.275 1.00 1.30 H new ATOM 842 N ALA A 51 1.414 -4.442 6.186 1.00 0.45 N ATOM 843 CA ALA A 51 2.485 -3.922 7.026 1.00 0.63 C ATOM 844 C ALA A 51 2.017 -2.736 7.859 1.00 0.55 C ATOM 845 O ALA A 51 2.431 -2.574 9.006 1.00 0.72 O ATOM 846 CB ALA A 51 3.680 -3.528 6.172 1.00 0.86 C ATOM 0 H ALA A 51 0.994 -3.754 5.561 1.00 0.45 H new ATOM 0 HA ALA A 51 2.783 -4.714 7.713 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.473 -3.141 6.812 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.044 -4.401 5.631 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.381 -2.759 5.460 1.00 0.86 H new ATOM 852 N ASN A 52 1.154 -1.904 7.277 1.00 0.42 N ATOM 853 CA ASN A 52 0.634 -0.726 7.970 1.00 0.43 C ATOM 854 C ASN A 52 0.286 -1.035 9.428 1.00 0.59 C ATOM 855 O ASN A 52 0.876 -0.466 10.348 1.00 1.60 O ATOM 856 CB ASN A 52 -0.597 -0.179 7.245 1.00 0.38 C ATOM 857 CG ASN A 52 -1.506 -1.278 6.730 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.115 -2.074 5.875 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.727 -1.331 7.253 1.00 0.62 N ATOM 0 H ASN A 52 0.800 -2.024 6.328 1.00 0.42 H new ATOM 0 HA ASN A 52 1.420 0.029 7.964 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -1.158 0.464 7.924 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.276 0.443 6.410 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.382 -2.051 6.948 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -3.009 -0.651 7.959 1.00 0.62 H new ATOM 866 N PHE A 53 -0.671 -1.938 9.632 1.00 0.81 N ATOM 867 CA PHE A 53 -1.090 -2.321 10.978 1.00 0.82 C ATOM 868 C PHE A 53 -1.291 -1.097 11.868 1.00 0.84 C ATOM 869 O PHE A 53 -1.096 -1.163 13.082 1.00 1.20 O ATOM 870 CB PHE A 53 -0.054 -3.252 11.607 1.00 0.96 C ATOM 871 CG PHE A 53 -0.581 -4.014 12.787 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.835 -4.595 12.741 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.176 -4.151 13.939 1.00 1.68 C ATOM 874 CE1 PHE A 53 -2.329 -5.296 13.820 1.00 1.66 C ATOM 875 CE2 PHE A 53 -0.311 -4.852 15.024 1.00 2.08 C ATOM 876 CZ PHE A 53 -1.566 -5.426 14.966 1.00 1.96 C ATOM 0 H PHE A 53 -1.170 -2.418 8.883 1.00 0.81 H new ATOM 0 HA PHE A 53 -2.044 -2.842 10.894 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.295 -3.958 10.854 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.810 -2.665 11.918 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -2.435 -4.498 11.848 1.00 1.32 H new ATOM 0 HD2 PHE A 53 1.158 -3.704 13.989 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -3.311 -5.743 13.771 1.00 1.66 H new ATOM 0 HE2 PHE A 53 0.288 -4.951 15.917 1.00 2.08 H new ATOM 0 HZ PHE A 53 -1.950 -5.975 15.813 1.00 1.96 H new ATOM 886 N SER A 54 -1.679 0.020 11.259 1.00 0.79 N ATOM 887 CA SER A 54 -1.900 1.254 12.004 1.00 0.89 C ATOM 888 C SER A 54 -3.178 1.953 11.551 1.00 0.95 C ATOM 889 O SER A 54 -3.277 3.180 11.604 1.00 1.89 O ATOM 890 CB SER A 54 -0.704 2.194 11.841 1.00 1.00 C ATOM 891 OG SER A 54 0.040 1.878 10.676 1.00 1.71 O ATOM 0 H SER A 54 -1.846 0.095 10.256 1.00 0.79 H new ATOM 0 HA SER A 54 -2.010 0.993 13.057 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.053 3.225 11.784 1.00 1.00 H new ATOM 0 HB3 SER A 54 -0.060 2.123 12.718 1.00 1.00 H new ATOM 0 HG SER A 54 0.518 1.033 10.812 1.00 1.71 H new ATOM 897 N ASN A 55 -4.156 1.169 11.106 1.00 0.75 N ATOM 898 CA ASN A 55 -5.431 1.718 10.647 1.00 0.69 C ATOM 899 C ASN A 55 -5.220 2.917 9.725 1.00 0.66 C ATOM 900 O ASN A 55 -5.051 4.045 10.188 1.00 1.05 O ATOM 901 CB ASN A 55 -6.287 2.128 11.849 1.00 0.84 C ATOM 902 CG ASN A 55 -7.767 1.902 11.611 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.301 2.525 10.569 1.00 1.87 O flip ATOM 904 ND2 ASN A 55 -8.423 1.175 12.358 1.00 0.83 N flip ATOM 0 H ASN A 55 -4.091 0.152 11.053 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.947 0.943 10.081 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.972 1.561 12.725 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.115 3.181 12.072 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -7.971 0.715 13.148 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -9.418 1.033 12.186 1.00 0.83 H new ATOM 911 N ILE A 56 -5.227 2.665 8.420 1.00 0.40 N ATOM 912 CA ILE A 56 -5.035 3.722 7.434 1.00 0.33 C ATOM 913 C ILE A 56 -6.356 4.406 7.092 1.00 0.31 C ATOM 914 O ILE A 56 -7.063 3.988 6.176 1.00 0.53 O ATOM 915 CB ILE A 56 -4.405 3.172 6.140 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.106 2.420 6.462 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.160 4.304 5.153 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.222 2.148 5.257 1.00 0.69 C ATOM 0 H ILE A 56 -5.364 1.737 8.021 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.358 4.451 7.880 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.095 2.467 5.677 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.538 2.997 7.191 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.358 1.470 6.934 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.715 3.903 4.243 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -5.107 4.787 4.911 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.483 5.034 5.597 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.327 1.614 5.576 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.768 1.542 4.534 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.935 3.093 4.795 1.00 0.69 H new ATOM 930 N LEU A 57 -6.683 5.459 7.835 1.00 0.44 N ATOM 931 CA LEU A 57 -7.921 6.197 7.609 1.00 0.45 C ATOM 932 C LEU A 57 -7.859 6.992 6.306 1.00 0.42 C ATOM 933 O LEU A 57 -8.814 7.000 5.530 1.00 0.60 O ATOM 934 CB LEU A 57 -8.203 7.140 8.784 1.00 0.48 C ATOM 935 CG LEU A 57 -9.450 6.802 9.607 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.619 6.457 8.695 1.00 0.72 C ATOM 937 CD2 LEU A 57 -9.160 5.658 10.566 1.00 1.60 C ATOM 0 H LEU A 57 -6.109 5.820 8.597 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.732 5.473 7.530 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.338 7.137 9.447 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.306 8.154 8.398 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.724 7.680 10.192 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.495 6.220 9.300 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.842 7.308 8.051 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -10.359 5.595 8.080 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -10.056 5.431 11.143 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -8.859 4.776 10.000 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -8.356 5.946 11.243 1.00 1.60 H new ATOM 949 N GLU A 58 -6.732 7.658 6.071 1.00 0.39 N ATOM 950 CA GLU A 58 -6.555 8.451 4.864 1.00 0.43 C ATOM 951 C GLU A 58 -5.734 7.686 3.834 1.00 0.51 C ATOM 952 O GLU A 58 -4.925 6.827 4.182 1.00 1.09 O ATOM 953 CB GLU A 58 -5.876 9.783 5.195 1.00 0.44 C ATOM 954 CG GLU A 58 -4.411 9.647 5.582 1.00 0.44 C ATOM 955 CD GLU A 58 -3.733 10.989 5.772 1.00 0.75 C ATOM 956 OE1 GLU A 58 -3.635 11.751 4.787 1.00 1.54 O ATOM 957 OE2 GLU A 58 -3.300 11.278 6.908 1.00 1.29 O ATOM 0 H GLU A 58 -5.930 7.663 6.701 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.539 8.654 4.442 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -5.954 10.444 4.332 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.415 10.261 6.013 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.334 9.071 6.504 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -3.886 9.084 4.810 1.00 0.44 H new ATOM 964 N ASN A 59 -5.948 8.009 2.565 1.00 0.31 N ATOM 965 CA ASN A 59 -5.230 7.357 1.476 1.00 0.28 C ATOM 966 C ASN A 59 -3.738 7.690 1.509 1.00 0.28 C ATOM 967 O ASN A 59 -2.948 7.080 0.796 1.00 0.49 O ATOM 968 CB ASN A 59 -5.820 7.768 0.133 1.00 0.32 C ATOM 969 CG ASN A 59 -5.794 9.272 -0.064 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.825 10.034 0.903 1.00 1.75 O ATOM 971 ND2 ASN A 59 -5.738 9.708 -1.314 1.00 0.91 N ATOM 0 H ASN A 59 -6.614 8.720 2.264 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.341 6.281 1.606 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.261 7.288 -0.670 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.848 7.411 0.064 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -5.719 10.710 -1.504 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -5.714 9.042 -2.086 1.00 0.91 H new ATOM 978 N GLU A 60 -3.352 8.651 2.340 1.00 0.29 N ATOM 979 CA GLU A 60 -1.954 9.033 2.456 1.00 0.29 C ATOM 980 C GLU A 60 -1.326 8.259 3.596 1.00 0.27 C ATOM 981 O GLU A 60 -1.495 8.617 4.761 1.00 0.35 O ATOM 982 CB GLU A 60 -1.820 10.534 2.711 1.00 0.34 C ATOM 983 CG GLU A 60 -0.915 11.239 1.713 1.00 0.49 C ATOM 984 CD GLU A 60 -0.942 12.747 1.867 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.125 13.278 2.648 1.00 2.05 O ATOM 986 OE2 GLU A 60 -1.781 13.396 1.209 1.00 1.91 O ATOM 0 H GLU A 60 -3.987 9.177 2.941 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.443 8.801 1.521 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.809 10.990 2.678 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -1.430 10.691 3.717 1.00 0.34 H new ATOM 0 HG2 GLU A 60 0.107 10.883 1.840 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -1.221 10.975 0.701 1.00 0.49 H new ATOM 993 N PHE A 61 -0.618 7.186 3.274 1.00 0.24 N ATOM 994 CA PHE A 61 -0.008 6.380 4.317 1.00 0.24 C ATOM 995 C PHE A 61 1.469 6.117 4.064 1.00 0.24 C ATOM 996 O PHE A 61 1.966 6.275 2.948 1.00 0.25 O ATOM 997 CB PHE A 61 -0.751 5.055 4.460 1.00 0.28 C ATOM 998 CG PHE A 61 -0.150 4.173 5.509 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.499 4.323 6.841 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.779 3.204 5.167 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.062 3.520 7.812 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.339 2.399 6.132 1.00 0.44 C ATOM 1003 CZ PHE A 61 0.985 2.556 7.457 1.00 0.48 C ATOM 0 H PHE A 61 -0.455 6.860 2.321 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.083 6.950 5.243 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.794 5.252 4.709 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.744 4.533 3.503 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -1.219 5.077 7.123 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.066 3.079 4.133 1.00 0.37 H new ATOM 0 HE1 PHE A 61 -0.220 3.645 8.847 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.057 1.642 5.852 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.429 1.927 8.214 1.00 0.48 H new ATOM 1013 N THR A 62 2.162 5.710 5.125 1.00 0.25 N ATOM 1014 CA THR A 62 3.578 5.414 5.050 1.00 0.27 C ATOM 1015 C THR A 62 3.874 4.010 5.552 1.00 0.29 C ATOM 1016 O THR A 62 3.692 3.708 6.731 1.00 0.35 O ATOM 1017 CB THR A 62 4.383 6.441 5.848 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.117 7.754 5.387 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.879 6.224 5.774 1.00 0.37 C ATOM 0 H THR A 62 1.755 5.579 6.051 1.00 0.25 H new ATOM 0 HA THR A 62 3.875 5.469 4.003 1.00 0.27 H new ATOM 0 HB THR A 62 4.066 6.312 6.883 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.833 8.040 4.782 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.387 6.988 6.362 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.124 5.238 6.170 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.205 6.289 4.736 1.00 0.37 H new ATOM 1027 N VAL A 63 4.335 3.156 4.645 1.00 0.31 N ATOM 1028 CA VAL A 63 4.661 1.784 4.991 1.00 0.36 C ATOM 1029 C VAL A 63 6.034 1.698 5.639 1.00 0.38 C ATOM 1030 O VAL A 63 7.039 2.081 5.041 1.00 0.50 O ATOM 1031 CB VAL A 63 4.630 0.864 3.761 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.912 -0.571 4.174 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.290 0.971 3.053 1.00 0.58 C ATOM 0 H VAL A 63 4.490 3.393 3.665 1.00 0.31 H new ATOM 0 HA VAL A 63 3.902 1.450 5.698 1.00 0.36 H new ATOM 0 HB VAL A 63 5.407 1.180 3.065 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.888 -1.214 3.294 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.896 -0.629 4.639 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.155 -0.900 4.885 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.284 0.313 2.184 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.493 0.677 3.736 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.130 2.000 2.730 1.00 0.58 H new ATOM 1043 N SER A 64 6.072 1.191 6.864 1.00 0.49 N ATOM 1044 CA SER A 64 7.327 1.056 7.588 1.00 0.55 C ATOM 1045 C SER A 64 7.631 -0.402 7.882 1.00 0.63 C ATOM 1046 O SER A 64 6.752 -1.261 7.826 1.00 0.99 O ATOM 1047 CB SER A 64 7.285 1.844 8.893 1.00 0.63 C ATOM 1048 OG SER A 64 8.583 1.978 9.448 1.00 1.33 O ATOM 0 H SER A 64 5.251 0.868 7.375 1.00 0.49 H new ATOM 0 HA SER A 64 8.118 1.458 6.955 1.00 0.55 H new ATOM 0 HB2 SER A 64 6.859 2.831 8.712 1.00 0.63 H new ATOM 0 HB3 SER A 64 6.631 1.340 9.605 1.00 0.63 H new ATOM 0 HG SER A 64 8.531 2.488 10.283 1.00 1.33 H new ATOM 1054 N GLY A 65 8.886 -0.666 8.199 1.00 0.71 N ATOM 1055 CA GLY A 65 9.308 -2.018 8.503 1.00 0.78 C ATOM 1056 C GLY A 65 10.190 -2.618 7.424 1.00 0.72 C ATOM 1057 O GLY A 65 10.660 -3.748 7.564 1.00 0.90 O ATOM 0 H GLY A 65 9.626 0.035 8.252 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.848 -2.020 9.450 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.428 -2.647 8.637 1.00 0.78 H new ATOM 1061 N LEU A 66 10.422 -1.871 6.344 1.00 0.64 N ATOM 1062 CA LEU A 66 11.257 -2.361 5.257 1.00 0.65 C ATOM 1063 C LEU A 66 12.702 -2.503 5.710 1.00 0.59 C ATOM 1064 O LEU A 66 13.026 -2.286 6.877 1.00 0.65 O ATOM 1065 CB LEU A 66 11.194 -1.414 4.050 1.00 0.74 C ATOM 1066 CG LEU A 66 9.797 -0.940 3.611 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.701 -1.904 4.056 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.531 0.464 4.128 1.00 0.89 C ATOM 0 H LEU A 66 10.046 -0.934 6.203 1.00 0.64 H new ATOM 0 HA LEU A 66 10.876 -3.339 4.963 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.795 -0.534 4.277 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.665 -1.912 3.203 1.00 0.74 H new ATOM 0 HG LEU A 66 9.780 -0.921 2.521 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.732 -1.531 3.725 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.880 -2.886 3.618 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.707 -1.985 5.143 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.540 0.787 3.810 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.582 0.467 5.217 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.281 1.147 3.728 1.00 0.89 H new ATOM 1080 N THR A 67 13.566 -2.867 4.773 1.00 0.65 N ATOM 1081 CA THR A 67 14.980 -3.036 5.063 1.00 0.69 C ATOM 1082 C THR A 67 15.828 -2.502 3.912 1.00 0.72 C ATOM 1083 O THR A 67 15.453 -2.620 2.745 1.00 1.06 O ATOM 1084 CB THR A 67 15.292 -4.513 5.336 1.00 0.75 C ATOM 1085 OG1 THR A 67 16.460 -4.639 6.126 1.00 0.96 O ATOM 1086 CG2 THR A 67 15.494 -5.347 4.086 1.00 0.99 C ATOM 0 H THR A 67 13.310 -3.051 3.803 1.00 0.65 H new ATOM 0 HA THR A 67 15.227 -2.464 5.957 1.00 0.69 H new ATOM 0 HB THR A 67 14.411 -4.891 5.855 1.00 0.75 H new ATOM 0 HG1 THR A 67 16.642 -5.588 6.291 1.00 0.96 H new ATOM 0 HG21 THR A 67 15.710 -6.378 4.367 1.00 0.99 H new ATOM 0 HG22 THR A 67 14.589 -5.319 3.479 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.329 -4.945 3.511 1.00 0.99 H new ATOM 1094 N GLU A 68 16.967 -1.914 4.247 1.00 0.66 N ATOM 1095 CA GLU A 68 17.863 -1.362 3.243 1.00 0.67 C ATOM 1096 C GLU A 68 18.418 -2.465 2.348 1.00 0.60 C ATOM 1097 O GLU A 68 18.675 -3.578 2.805 1.00 0.69 O ATOM 1098 CB GLU A 68 19.010 -0.609 3.920 1.00 0.76 C ATOM 1099 CG GLU A 68 19.820 0.254 2.969 1.00 0.96 C ATOM 1100 CD GLU A 68 21.260 0.410 3.410 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.491 0.999 4.486 1.00 1.89 O ATOM 1102 OE2 GLU A 68 22.159 -0.056 2.679 1.00 1.91 O ATOM 0 H GLU A 68 17.292 -1.807 5.208 1.00 0.66 H new ATOM 0 HA GLU A 68 17.297 -0.667 2.622 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.602 0.021 4.710 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.674 -1.330 4.397 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.794 -0.187 1.972 1.00 0.96 H new ATOM 0 HG3 GLU A 68 19.358 1.238 2.894 1.00 0.96 H new ATOM 1109 N ASP A 69 18.598 -2.148 1.070 1.00 0.52 N ATOM 1110 CA ASP A 69 19.120 -3.113 0.109 1.00 0.49 C ATOM 1111 C ASP A 69 18.081 -4.185 -0.205 1.00 0.44 C ATOM 1112 O ASP A 69 18.353 -5.379 -0.079 1.00 0.54 O ATOM 1113 CB ASP A 69 20.395 -3.769 0.649 1.00 0.59 C ATOM 1114 CG ASP A 69 21.178 -4.492 -0.429 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.126 -4.052 -1.596 1.00 1.87 O ATOM 1116 OD2 ASP A 69 21.842 -5.500 -0.106 1.00 1.66 O ATOM 0 H ASP A 69 18.390 -1.231 0.676 1.00 0.52 H new ATOM 0 HA ASP A 69 19.356 -2.577 -0.811 1.00 0.49 H new ATOM 0 HB2 ASP A 69 21.028 -3.006 1.103 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.131 -4.475 1.437 1.00 0.59 H new ATOM 1121 N ALA A 70 16.888 -3.755 -0.613 1.00 0.40 N ATOM 1122 CA ALA A 70 15.820 -4.691 -0.939 1.00 0.40 C ATOM 1123 C ALA A 70 14.639 -3.985 -1.595 1.00 0.35 C ATOM 1124 O ALA A 70 14.055 -3.067 -1.019 1.00 0.36 O ATOM 1125 CB ALA A 70 15.359 -5.418 0.314 1.00 0.49 C ATOM 0 H ALA A 70 16.640 -2.772 -0.724 1.00 0.40 H new ATOM 0 HA ALA A 70 16.218 -5.414 -1.651 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.561 -6.115 0.058 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.196 -5.968 0.744 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.989 -4.694 1.040 1.00 0.49 H new ATOM 1131 N ALA A 71 14.284 -4.426 -2.798 1.00 0.33 N ATOM 1132 CA ALA A 71 13.163 -3.840 -3.516 1.00 0.30 C ATOM 1133 C ALA A 71 11.856 -4.251 -2.861 1.00 0.27 C ATOM 1134 O ALA A 71 11.647 -5.423 -2.553 1.00 0.36 O ATOM 1135 CB ALA A 71 13.186 -4.252 -4.979 1.00 0.34 C ATOM 0 H ALA A 71 14.755 -5.184 -3.292 1.00 0.33 H new ATOM 0 HA ALA A 71 13.249 -2.754 -3.473 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.339 -3.802 -5.497 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.114 -3.912 -5.438 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.122 -5.338 -5.052 1.00 0.34 H new ATOM 1141 N TYR A 72 10.985 -3.278 -2.631 1.00 0.24 N ATOM 1142 CA TYR A 72 9.711 -3.551 -1.987 1.00 0.24 C ATOM 1143 C TYR A 72 8.529 -2.983 -2.771 1.00 0.21 C ATOM 1144 O TYR A 72 8.461 -1.782 -3.028 1.00 0.23 O ATOM 1145 CB TYR A 72 9.722 -2.966 -0.575 1.00 0.30 C ATOM 1146 CG TYR A 72 10.497 -3.797 0.420 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.921 -4.904 1.043 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.809 -3.474 0.737 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.640 -5.659 1.951 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.531 -4.224 1.641 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.903 -5.341 2.256 1.00 0.46 C ATOM 1152 OH TYR A 72 12.663 -6.063 3.150 1.00 0.56 O ATOM 0 H TYR A 72 11.137 -2.300 -2.879 1.00 0.24 H new ATOM 0 HA TYR A 72 9.585 -4.633 -1.950 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.150 -1.964 -0.610 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.695 -2.862 -0.226 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.901 -5.175 0.813 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.273 -2.619 0.267 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.177 -6.515 2.419 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.553 -3.968 1.877 1.00 0.42 H new ATOM 0 HH TYR A 72 12.379 -7.001 3.138 1.00 0.56 H new ATOM 1162 N GLU A 73 7.592 -3.859 -3.126 1.00 0.21 N ATOM 1163 CA GLU A 73 6.394 -3.450 -3.855 1.00 0.21 C ATOM 1164 C GLU A 73 5.229 -3.370 -2.875 1.00 0.23 C ATOM 1165 O GLU A 73 5.163 -4.165 -1.935 1.00 0.32 O ATOM 1166 CB GLU A 73 6.081 -4.441 -4.977 1.00 0.25 C ATOM 1167 CG GLU A 73 6.773 -4.111 -6.290 1.00 0.65 C ATOM 1168 CD GLU A 73 5.804 -4.033 -7.455 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.209 -2.954 -7.661 1.00 1.50 O ATOM 1170 OE2 GLU A 73 5.642 -5.050 -8.161 1.00 1.32 O ATOM 0 H GLU A 73 7.639 -4.857 -2.921 1.00 0.21 H new ATOM 0 HA GLU A 73 6.560 -2.474 -4.310 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.378 -5.441 -4.661 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.003 -4.465 -5.140 1.00 0.25 H new ATOM 0 HG2 GLU A 73 7.296 -3.159 -6.192 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.528 -4.869 -6.500 1.00 0.65 H new ATOM 1177 N PHE A 74 4.317 -2.413 -3.052 1.00 0.22 N ATOM 1178 CA PHE A 74 3.203 -2.304 -2.092 1.00 0.28 C ATOM 1179 C PHE A 74 1.806 -2.211 -2.718 1.00 0.25 C ATOM 1180 O PHE A 74 1.461 -1.226 -3.366 1.00 0.30 O ATOM 1181 CB PHE A 74 3.411 -1.108 -1.156 1.00 0.39 C ATOM 1182 CG PHE A 74 4.852 -0.789 -0.880 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.521 -1.390 0.174 1.00 0.42 C ATOM 1184 CD2 PHE A 74 5.534 0.117 -1.672 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.847 -1.093 0.429 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.856 0.417 -1.423 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.515 -0.187 -0.372 1.00 0.53 C ATOM 0 H PHE A 74 4.317 -1.730 -3.810 1.00 0.22 H new ATOM 0 HA PHE A 74 3.227 -3.245 -1.542 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.933 -0.231 -1.593 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.907 -1.308 -0.211 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.001 -2.098 0.803 1.00 0.42 H new ATOM 0 HD2 PHE A 74 5.024 0.595 -2.495 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.359 -1.568 1.252 1.00 0.49 H new ATOM 0 HE2 PHE A 74 7.376 1.125 -2.051 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.551 0.048 -0.176 1.00 0.53 H new ATOM 1197 N ARG A 75 0.996 -3.243 -2.459 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.391 -3.310 -2.927 1.00 0.34 C ATOM 1199 C ARG A 75 -1.303 -2.909 -1.780 1.00 0.31 C ATOM 1200 O ARG A 75 -0.905 -3.008 -0.622 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.737 -4.737 -3.374 1.00 0.46 C ATOM 1202 CG ARG A 75 -1.793 -4.820 -4.464 1.00 0.94 C ATOM 1203 CD ARG A 75 -2.140 -6.266 -4.788 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.127 -6.915 -5.626 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.220 -7.061 -6.950 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.286 -6.596 -7.588 1.00 1.87 N ATOM 1207 NH2 ARG A 75 -0.264 -7.671 -7.644 1.00 2.11 N ATOM 0 H ARG A 75 1.285 -4.057 -1.917 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.522 -2.638 -3.775 1.00 0.34 H new ATOM 0 HB2 ARG A 75 0.172 -5.223 -3.729 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -1.083 -5.301 -2.508 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -2.691 -4.291 -4.145 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -1.431 -4.320 -5.363 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -2.251 -6.826 -3.859 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -3.103 -6.299 -5.297 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.293 -7.280 -5.166 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -3.029 -6.130 -7.067 1.00 1.87 H new ATOM 0 HH12 ARG A 75 -2.363 -6.705 -8.599 1.00 1.87 H new ATOM 0 HH21 ARG A 75 0.559 -8.037 -7.165 1.00 2.11 H new ATOM 0 HH22 ARG A 75 -0.354 -7.773 -8.655 1.00 2.11 H new ATOM 1221 N VAL A 76 -2.520 -2.462 -2.066 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.412 -2.077 -0.977 1.00 0.39 C ATOM 1223 C VAL A 76 -4.831 -2.613 -1.156 1.00 0.31 C ATOM 1224 O VAL A 76 -5.475 -2.419 -2.187 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.416 -0.530 -0.700 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -3.114 0.288 -1.943 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.725 -0.050 -0.070 1.00 0.47 C ATOM 0 H VAL A 76 -2.903 -2.359 -3.006 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.998 -2.555 -0.089 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.611 -0.368 0.017 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.130 1.349 -1.693 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -2.129 0.020 -2.325 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -3.866 0.083 -2.705 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.674 1.025 0.100 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.555 -0.272 -0.741 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -4.880 -0.561 0.880 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.299 -3.270 -0.102 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.626 -3.838 -0.035 1.00 0.31 C ATOM 1239 C ILE A 77 -7.359 -3.145 1.100 1.00 0.30 C ATOM 1240 O ILE A 77 -6.722 -2.618 2.010 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.543 -5.362 0.221 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -6.048 -6.075 -1.031 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.879 -5.934 0.654 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.520 -7.467 -0.774 1.00 0.42 C ATOM 0 H ILE A 77 -4.750 -3.422 0.744 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.157 -3.691 -0.976 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.836 -5.524 1.035 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.865 -6.134 -1.751 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -5.261 -5.477 -1.490 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.778 -7.006 0.824 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.201 -5.449 1.576 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.620 -5.758 -0.126 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -5.187 -7.909 -1.713 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.682 -7.416 -0.079 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -6.310 -8.082 -0.344 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.680 -3.123 1.065 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.402 -2.454 2.140 1.00 0.30 C ATOM 1258 C ALA A 78 -10.883 -2.766 2.130 1.00 0.34 C ATOM 1259 O ALA A 78 -11.596 -2.418 1.194 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.184 -0.951 2.056 1.00 0.39 C ATOM 0 H ALA A 78 -9.258 -3.542 0.337 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.002 -2.834 3.080 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.727 -0.459 2.863 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.120 -0.732 2.148 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.548 -0.584 1.097 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.356 -3.405 3.183 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.764 -3.724 3.265 1.00 0.43 C ATOM 1268 C LYS A 79 -13.577 -2.449 3.198 1.00 0.59 C ATOM 1269 O LYS A 79 -13.026 -1.359 3.040 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.093 -4.486 4.543 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.759 -5.965 4.482 1.00 1.07 C ATOM 1272 CD LYS A 79 -14.020 -6.813 4.436 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.959 -7.957 5.433 1.00 1.71 C ATOM 1274 NZ LYS A 79 -14.398 -7.534 6.792 1.00 1.98 N ATOM 0 H LYS A 79 -10.796 -3.708 3.980 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.016 -4.367 2.422 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.549 -4.035 5.373 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.155 -4.372 4.759 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -12.150 -6.167 3.601 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -12.163 -6.242 5.352 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -14.887 -6.189 4.650 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.155 -7.212 3.431 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -14.590 -8.775 5.086 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -12.940 -8.340 5.484 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -14.342 -8.343 7.443 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -13.780 -6.771 7.135 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -15.379 -7.192 6.749 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.884 -2.580 3.306 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.749 -1.422 3.243 1.00 0.70 C ATOM 1290 C ASN A 80 -16.745 -1.404 4.400 1.00 0.87 C ATOM 1291 O ASN A 80 -16.961 -2.414 5.068 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.469 -1.404 1.902 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.478 -1.433 0.757 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -14.621 -2.314 0.693 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -15.574 -0.464 -0.142 1.00 2.05 N ATOM 0 H ASN A 80 -15.366 -3.469 3.437 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.139 -0.523 3.335 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.137 -2.262 1.832 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -17.089 -0.510 1.829 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -14.922 -0.429 -0.925 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -16.300 0.247 -0.050 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.335 -0.241 4.628 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.305 -0.043 5.701 1.00 0.82 C ATOM 1304 C ALA A 81 -19.285 -1.213 5.851 1.00 0.88 C ATOM 1305 O ALA A 81 -19.822 -1.434 6.938 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.074 1.249 5.463 1.00 0.83 C ATOM 0 H ALA A 81 -17.156 0.597 4.074 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.742 0.015 6.632 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.798 1.395 6.265 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.379 2.088 5.445 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.597 1.190 4.509 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.539 -1.948 4.771 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.480 -3.067 4.829 1.00 0.90 C ATOM 1314 C ALA A 82 -19.785 -4.426 4.884 1.00 0.88 C ATOM 1315 O ALA A 82 -20.432 -5.462 4.730 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.433 -3.013 3.646 1.00 0.94 C ATOM 0 H ALA A 82 -19.114 -1.794 3.857 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.040 -2.961 5.758 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -22.128 -3.851 3.700 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.990 -2.077 3.670 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.865 -3.073 2.718 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.478 -4.431 5.110 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.753 -5.687 5.185 1.00 0.86 C ATOM 1324 C GLY A 83 -17.246 -6.168 3.838 1.00 0.78 C ATOM 1325 O GLY A 83 -16.575 -7.199 3.760 1.00 0.93 O ATOM 0 H GLY A 83 -17.909 -3.595 5.242 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.908 -5.571 5.863 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.404 -6.449 5.614 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.554 -5.431 2.776 1.00 0.72 N ATOM 1330 CA ALA A 84 -17.105 -5.806 1.443 1.00 0.78 C ATOM 1331 C ALA A 84 -15.596 -5.636 1.338 1.00 0.76 C ATOM 1332 O ALA A 84 -15.077 -4.540 1.535 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.813 -4.969 0.387 1.00 0.92 C ATOM 0 H ALA A 84 -18.109 -4.576 2.813 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.353 -6.853 1.269 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.465 -5.263 -0.603 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.889 -5.130 0.456 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.593 -3.914 0.551 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.890 -6.721 1.040 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.440 -6.655 0.932 1.00 0.40 C ATOM 1341 C ILE A 85 -12.997 -6.089 -0.407 1.00 0.38 C ATOM 1342 O ILE A 85 -13.001 -6.789 -1.418 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.775 -8.032 1.145 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.253 -7.878 1.213 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -13.168 -8.998 0.039 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.647 -8.438 2.482 1.00 0.79 C ATOM 0 H ILE A 85 -15.292 -7.643 0.871 1.00 0.50 H new ATOM 0 HA ILE A 85 -13.114 -5.984 1.727 1.00 0.40 H new ATOM 0 HB ILE A 85 -13.126 -8.443 2.091 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.806 -8.379 0.354 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.998 -6.821 1.134 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.688 -9.961 0.210 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -14.250 -9.127 0.036 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.848 -8.599 -0.923 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.567 -8.295 2.463 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -11.066 -7.920 3.345 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.871 -9.502 2.553 1.00 0.79 H new ATOM 1358 N SER A 86 -12.602 -4.819 -0.412 1.00 0.39 N ATOM 1359 CA SER A 86 -12.146 -4.197 -1.649 1.00 0.45 C ATOM 1360 C SER A 86 -10.908 -4.933 -2.160 1.00 0.44 C ATOM 1361 O SER A 86 -9.847 -4.864 -1.528 1.00 0.43 O ATOM 1362 CB SER A 86 -11.829 -2.718 -1.442 1.00 0.54 C ATOM 1363 OG SER A 86 -10.513 -2.535 -0.942 1.00 0.59 O ATOM 0 H SER A 86 -12.588 -4.212 0.408 1.00 0.39 H new ATOM 0 HA SER A 86 -12.946 -4.266 -2.386 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.938 -2.185 -2.387 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.548 -2.284 -0.747 1.00 0.54 H new ATOM 0 HG SER A 86 -10.540 -1.946 -0.159 1.00 0.59 H new ATOM 1369 N PRO A 87 -11.038 -5.654 -3.300 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.944 -6.431 -3.903 1.00 0.61 C ATOM 1371 C PRO A 87 -8.581 -5.739 -3.875 1.00 0.54 C ATOM 1372 O PRO A 87 -8.462 -4.580 -3.482 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.419 -6.616 -5.339 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.898 -6.709 -5.219 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.280 -5.781 -4.095 1.00 0.59 C ATOM 0 HA PRO A 87 -9.768 -7.354 -3.351 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -10.122 -5.778 -5.969 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.997 -7.516 -5.786 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -12.385 -6.417 -6.149 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -12.209 -7.731 -5.004 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.614 -4.814 -4.471 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -13.096 -6.190 -3.499 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.527 -6.466 -4.301 1.00 0.55 N ATOM 1384 CA PRO A 88 -6.155 -5.947 -4.330 1.00 0.56 C ATOM 1385 C PRO A 88 -5.991 -4.768 -5.273 1.00 0.48 C ATOM 1386 O PRO A 88 -6.376 -4.832 -6.442 1.00 0.68 O ATOM 1387 CB PRO A 88 -5.316 -7.138 -4.816 1.00 0.69 C ATOM 1388 CG PRO A 88 -6.180 -8.337 -4.629 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.592 -7.857 -4.785 1.00 0.72 C ATOM 0 HA PRO A 88 -5.856 -5.571 -3.352 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -5.033 -7.018 -5.862 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.392 -7.227 -4.244 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.946 -9.106 -5.365 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -6.025 -8.780 -3.645 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.923 -7.908 -5.822 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -8.289 -8.456 -4.198 1.00 0.72 H new ATOM 1397 N SER A 89 -5.408 -3.693 -4.758 1.00 0.43 N ATOM 1398 CA SER A 89 -5.181 -2.497 -5.557 1.00 0.42 C ATOM 1399 C SER A 89 -3.746 -2.483 -6.078 1.00 0.35 C ATOM 1400 O SER A 89 -2.804 -2.480 -5.280 1.00 0.51 O ATOM 1401 CB SER A 89 -5.450 -1.240 -4.730 1.00 0.56 C ATOM 1402 OG SER A 89 -4.278 -0.811 -4.065 1.00 1.28 O ATOM 0 H SER A 89 -5.085 -3.625 -3.793 1.00 0.43 H new ATOM 0 HA SER A 89 -5.868 -2.509 -6.403 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.816 -0.445 -5.379 1.00 0.56 H new ATOM 0 HB3 SER A 89 -6.234 -1.441 -4.000 1.00 0.56 H new ATOM 0 HG SER A 89 -3.490 -1.115 -4.562 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.601 -2.487 -7.417 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.292 -2.487 -8.108 1.00 0.37 C ATOM 1410 C GLU A 90 -1.151 -1.993 -7.212 1.00 0.34 C ATOM 1411 O GLU A 90 -1.192 -0.872 -6.728 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.367 -1.612 -9.361 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.751 -2.379 -10.615 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.708 -2.263 -11.710 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -0.711 -3.013 -11.663 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -1.890 -1.422 -12.615 1.00 1.77 O ATOM 0 H GLU A 90 -4.395 -2.490 -8.057 1.00 0.38 H new ATOM 0 HA GLU A 90 -2.074 -3.521 -8.377 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.093 -0.816 -9.195 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.400 -1.134 -9.519 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.894 -3.430 -10.364 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.706 -2.007 -10.986 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.128 -2.831 -6.964 1.00 0.30 N ATOM 1424 CA PRO A 91 1.005 -2.466 -6.102 1.00 0.29 C ATOM 1425 C PRO A 91 1.841 -1.304 -6.621 1.00 0.31 C ATOM 1426 O PRO A 91 1.874 -1.023 -7.818 1.00 0.55 O ATOM 1427 CB PRO A 91 1.860 -3.736 -6.062 1.00 0.36 C ATOM 1428 CG PRO A 91 0.955 -4.832 -6.503 1.00 0.36 C ATOM 1429 CD PRO A 91 0.004 -4.202 -7.478 1.00 0.39 C ATOM 0 HA PRO A 91 0.643 -2.127 -5.131 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.724 -3.650 -6.721 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.242 -3.921 -5.058 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.517 -5.640 -6.970 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.420 -5.263 -5.657 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.398 -4.217 -8.494 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.955 -4.720 -7.500 1.00 0.39 H new ATOM 1437 N SER A 92 2.531 -0.646 -5.690 1.00 0.27 N ATOM 1438 CA SER A 92 3.397 0.475 -6.013 1.00 0.31 C ATOM 1439 C SER A 92 4.764 -0.045 -6.406 1.00 0.27 C ATOM 1440 O SER A 92 5.192 -1.097 -5.916 1.00 0.24 O ATOM 1441 CB SER A 92 3.540 1.424 -4.820 1.00 0.39 C ATOM 1442 OG SER A 92 2.874 0.924 -3.678 1.00 1.23 O ATOM 0 H SER A 92 2.502 -0.877 -4.697 1.00 0.27 H new ATOM 0 HA SER A 92 2.951 1.027 -6.840 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.596 1.568 -4.593 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.134 2.401 -5.080 1.00 0.39 H new ATOM 0 HG SER A 92 2.985 1.552 -2.934 1.00 1.23 H new ATOM 1448 N ASP A 93 5.442 0.696 -7.285 1.00 0.33 N ATOM 1449 CA ASP A 93 6.776 0.325 -7.762 1.00 0.36 C ATOM 1450 C ASP A 93 7.619 -0.295 -6.656 1.00 0.32 C ATOM 1451 O ASP A 93 7.356 -0.097 -5.469 1.00 0.56 O ATOM 1452 CB ASP A 93 7.497 1.545 -8.332 1.00 0.45 C ATOM 1453 CG ASP A 93 8.343 1.209 -9.544 1.00 0.89 C ATOM 1454 OD1 ASP A 93 8.083 0.166 -10.179 1.00 1.55 O ATOM 1455 OD2 ASP A 93 9.265 1.990 -9.858 1.00 1.63 O ATOM 0 H ASP A 93 5.085 1.564 -7.684 1.00 0.33 H new ATOM 0 HA ASP A 93 6.643 -0.420 -8.546 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.762 2.302 -8.605 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.131 1.981 -7.560 1.00 0.45 H new ATOM 1460 N ALA A 94 8.628 -1.048 -7.057 1.00 0.33 N ATOM 1461 CA ALA A 94 9.510 -1.705 -6.107 1.00 0.28 C ATOM 1462 C ALA A 94 10.708 -0.822 -5.770 1.00 0.29 C ATOM 1463 O ALA A 94 11.601 -0.632 -6.596 1.00 0.41 O ATOM 1464 CB ALA A 94 9.980 -3.033 -6.672 1.00 0.34 C ATOM 0 H ALA A 94 8.858 -1.220 -8.036 1.00 0.33 H new ATOM 0 HA ALA A 94 8.953 -1.883 -5.187 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.641 -3.520 -5.955 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.118 -3.672 -6.864 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.519 -2.862 -7.604 1.00 0.34 H new ATOM 1470 N ILE A 95 10.720 -0.283 -4.558 1.00 0.25 N ATOM 1471 CA ILE A 95 11.806 0.581 -4.117 1.00 0.28 C ATOM 1472 C ILE A 95 12.913 -0.216 -3.430 1.00 0.26 C ATOM 1473 O ILE A 95 12.706 -0.794 -2.362 1.00 0.25 O ATOM 1474 CB ILE A 95 11.284 1.671 -3.162 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.219 2.506 -3.874 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.422 2.555 -2.669 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.830 1.913 -3.788 1.00 0.44 C ATOM 0 H ILE A 95 9.989 -0.429 -3.862 1.00 0.25 H new ATOM 0 HA ILE A 95 12.223 1.054 -5.006 1.00 0.28 H new ATOM 0 HB ILE A 95 10.838 1.192 -2.290 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.205 3.507 -3.443 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.495 2.614 -4.923 1.00 0.41 H new ATOM 0 HG21 ILE A 95 12.026 3.316 -1.997 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.152 1.945 -2.137 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.903 3.037 -3.520 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.126 2.557 -4.314 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.828 0.924 -4.245 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.534 1.830 -2.742 1.00 0.44 H new ATOM 1489 N THR A 96 14.087 -0.240 -4.054 1.00 0.29 N ATOM 1490 CA THR A 96 15.233 -0.961 -3.514 1.00 0.32 C ATOM 1491 C THR A 96 15.501 -0.555 -2.070 1.00 0.32 C ATOM 1492 O THR A 96 15.985 -1.358 -1.270 1.00 0.38 O ATOM 1493 CB THR A 96 16.475 -0.696 -4.364 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.290 -1.172 -5.685 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.727 -1.342 -3.811 1.00 0.43 C ATOM 0 H THR A 96 14.269 0.234 -4.938 1.00 0.29 H new ATOM 0 HA THR A 96 15.002 -2.026 -3.538 1.00 0.32 H new ATOM 0 HB THR A 96 16.609 0.386 -4.351 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.095 -0.991 -6.214 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.571 -1.115 -4.462 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.925 -0.955 -2.811 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.588 -2.422 -3.761 1.00 0.43 H new ATOM 1503 N CYS A 97 15.191 0.694 -1.738 1.00 0.32 N ATOM 1504 CA CYS A 97 15.407 1.192 -0.387 1.00 0.36 C ATOM 1505 C CYS A 97 16.871 1.033 0.002 1.00 0.43 C ATOM 1506 O CYS A 97 17.287 -0.026 0.475 1.00 0.64 O ATOM 1507 CB CYS A 97 14.514 0.438 0.598 1.00 0.38 C ATOM 1508 SG CYS A 97 12.814 1.049 0.670 1.00 1.10 S ATOM 0 H CYS A 97 14.792 1.376 -2.383 1.00 0.32 H new ATOM 0 HA CYS A 97 15.149 2.251 -0.355 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.498 -0.617 0.324 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.954 0.502 1.593 1.00 0.38 H new ATOM 0 HG CYS A 97 12.757 2.082 1.458 1.00 1.10 H new ATOM 1514 N ARG A 98 17.652 2.085 -0.210 1.00 0.53 N ATOM 1515 CA ARG A 98 19.077 2.051 0.110 1.00 0.63 C ATOM 1516 C ARG A 98 19.564 3.397 0.636 1.00 0.80 C ATOM 1517 O ARG A 98 19.603 3.623 1.845 1.00 1.04 O ATOM 1518 CB ARG A 98 19.914 1.615 -1.110 1.00 0.68 C ATOM 1519 CG ARG A 98 19.139 1.453 -2.403 1.00 0.74 C ATOM 1520 CD ARG A 98 19.021 2.755 -3.167 1.00 0.92 C ATOM 1521 NE ARG A 98 18.191 2.574 -4.348 1.00 1.64 N ATOM 1522 CZ ARG A 98 18.523 2.936 -5.593 1.00 2.31 C ATOM 1523 NH1 ARG A 98 19.695 3.518 -5.815 1.00 2.68 N ATOM 1524 NH2 ARG A 98 17.700 2.730 -6.615 1.00 3.00 N ATOM 0 H ARG A 98 17.326 2.969 -0.600 1.00 0.53 H new ATOM 0 HA ARG A 98 19.212 1.311 0.899 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.704 2.349 -1.269 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.401 0.668 -0.876 1.00 0.68 H new ATOM 0 HG2 ARG A 98 19.632 0.710 -3.029 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.142 1.072 -2.182 1.00 0.74 H new ATOM 0 HD2 ARG A 98 18.590 3.523 -2.525 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.011 3.104 -3.460 1.00 0.92 H new ATOM 0 HE ARG A 98 17.280 2.135 -4.216 1.00 1.64 H new ATOM 0 HH11 ARG A 98 20.336 3.687 -5.039 1.00 2.68 H new ATOM 0 HH12 ARG A 98 19.955 3.797 -6.761 1.00 2.68 H new ATOM 0 HH21 ARG A 98 16.794 2.288 -6.459 1.00 3.00 H new ATOM 0 HH22 ARG A 98 17.974 3.014 -7.556 1.00 3.00 H new ATOM 1538 N ASP A 99 19.934 4.286 -0.274 1.00 0.92 N ATOM 1539 CA ASP A 99 20.420 5.610 0.103 1.00 1.20 C ATOM 1540 C ASP A 99 19.366 6.693 -0.147 1.00 1.03 C ATOM 1541 O ASP A 99 19.588 7.862 0.161 1.00 1.20 O ATOM 1542 CB ASP A 99 21.702 5.939 -0.663 1.00 1.61 C ATOM 1543 CG ASP A 99 21.423 6.603 -1.997 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.088 5.880 -2.960 1.00 2.08 O ATOM 1545 OD2 ASP A 99 21.536 7.843 -2.080 1.00 2.14 O ATOM 0 H ASP A 99 19.908 4.117 -1.280 1.00 0.92 H new ATOM 0 HA ASP A 99 20.632 5.592 1.172 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.326 6.596 -0.057 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.269 5.023 -0.828 1.00 1.61 H new ATOM 1550 N ASP A 100 18.221 6.296 -0.701 1.00 0.85 N ATOM 1551 CA ASP A 100 17.129 7.225 -0.984 1.00 0.92 C ATOM 1552 C ASP A 100 17.614 8.522 -1.604 1.00 1.22 C ATOM 1553 O ASP A 100 16.980 9.567 -1.455 1.00 1.38 O ATOM 1554 CB ASP A 100 16.358 7.536 0.292 1.00 0.87 C ATOM 1555 CG ASP A 100 14.875 7.246 0.168 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.514 6.066 -0.020 1.00 2.03 O ATOM 1557 OD2 ASP A 100 14.073 8.199 0.259 1.00 2.06 O ATOM 0 H ASP A 100 18.026 5.330 -0.964 1.00 0.85 H new ATOM 0 HA ASP A 100 16.478 6.733 -1.707 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.771 6.949 1.113 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.498 8.586 0.549 1.00 0.87 H new ATOM 1562 N VAL A 101 18.729 8.458 -2.299 1.00 1.43 N ATOM 1563 CA VAL A 101 19.284 9.638 -2.937 1.00 1.90 C ATOM 1564 C VAL A 101 20.188 9.261 -4.113 1.00 2.23 C ATOM 1565 O VAL A 101 21.039 10.040 -4.541 1.00 2.80 O ATOM 1566 CB VAL A 101 20.061 10.474 -1.906 1.00 2.20 C ATOM 1567 CG1 VAL A 101 21.103 9.610 -1.222 1.00 2.22 C ATOM 1568 CG2 VAL A 101 20.685 11.705 -2.542 1.00 2.67 C ATOM 0 H VAL A 101 19.270 7.605 -2.438 1.00 1.43 H new ATOM 0 HA VAL A 101 18.460 10.233 -3.331 1.00 1.90 H new ATOM 0 HB VAL A 101 19.360 10.832 -1.152 1.00 2.20 H new ATOM 0 HG11 VAL A 101 21.650 10.208 -0.493 1.00 2.22 H new ATOM 0 HG12 VAL A 101 20.611 8.780 -0.715 1.00 2.22 H new ATOM 0 HG13 VAL A 101 21.798 9.220 -1.966 1.00 2.22 H new ATOM 0 HG21 VAL A 101 21.226 12.272 -1.784 1.00 2.67 H new ATOM 0 HG22 VAL A 101 21.376 11.398 -3.327 1.00 2.67 H new ATOM 0 HG23 VAL A 101 19.902 12.329 -2.971 1.00 2.67 H new ATOM 1578 N GLU A 102 19.988 8.060 -4.646 1.00 1.99 N ATOM 1579 CA GLU A 102 20.778 7.593 -5.778 1.00 2.40 C ATOM 1580 C GLU A 102 19.876 7.358 -6.981 1.00 2.00 C ATOM 1581 O GLU A 102 20.245 7.652 -8.117 1.00 2.49 O ATOM 1582 CB GLU A 102 21.520 6.299 -5.436 1.00 3.22 C ATOM 1583 CG GLU A 102 22.020 6.221 -4.002 1.00 3.87 C ATOM 1584 CD GLU A 102 23.445 6.714 -3.855 1.00 4.18 C ATOM 1585 OE1 GLU A 102 24.368 6.002 -4.303 1.00 4.47 O ATOM 1586 OE2 GLU A 102 23.638 7.812 -3.291 1.00 4.58 O ATOM 0 H GLU A 102 19.289 7.396 -4.314 1.00 1.99 H new ATOM 0 HA GLU A 102 21.513 8.362 -6.015 1.00 2.40 H new ATOM 0 HB2 GLU A 102 20.857 5.454 -5.623 1.00 3.22 H new ATOM 0 HB3 GLU A 102 22.370 6.193 -6.110 1.00 3.22 H new ATOM 0 HG2 GLU A 102 21.367 6.812 -3.361 1.00 3.87 H new ATOM 0 HG3 GLU A 102 21.959 5.189 -3.655 1.00 3.87 H new ATOM 1593 N ALA A 103 18.690 6.824 -6.715 1.00 1.84 N ATOM 1594 CA ALA A 103 17.722 6.542 -7.767 1.00 2.56 C ATOM 1595 C ALA A 103 17.278 7.825 -8.461 1.00 3.21 C ATOM 1596 O ALA A 103 16.613 7.728 -9.514 1.00 3.72 O ATOM 1597 CB ALA A 103 16.521 5.811 -7.187 1.00 3.26 C ATOM 1598 OXT ALA A 103 17.600 8.918 -7.946 1.00 3.79 O ATOM 0 H ALA A 103 18.375 6.577 -5.777 1.00 1.84 H new ATOM 0 HA ALA A 103 18.200 5.905 -8.511 1.00 2.56 H new ATOM 0 HB1 ALA A 103 15.803 5.604 -7.980 1.00 3.26 H new ATOM 0 HB2 ALA A 103 16.848 4.872 -6.740 1.00 3.26 H new ATOM 0 HB3 ALA A 103 16.051 6.432 -6.424 1.00 3.26 H new TER 1604 ALA A 103