USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 838 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 73 HIS : no HE2:sc= -0.389 K(o=1.9,f=-0.73!) USER MOD Set 1.2: A 77 CYS SG : rot 177:sc= -0.0313 USER MOD Set 1.3: A 82 CYS SG : rot -147:sc= 1.86 USER MOD Set 1.4: A 85 CYS SG : rot -90:sc= 0.435 USER MOD Set 2.1: A 54 GLN : amide:sc= 0.768 K(o=1.7,f=0.27) USER MOD Set 2.2: B 137 GLN : amide:sc= 0.968 K(o=1.7,f=0.2) USER MOD Set 3.1: A 49 HIS : no HE2:sc= -0.734 K(o=2.7,f=2.1) USER MOD Set 3.2: A 53 CYS SG : rot -141:sc= 0.548 USER MOD Set 3.3: A 59 CYS SG : rot 135:sc= 0.357 USER MOD Set 3.4: A 64 CYS SG : rot 126:sc= 2.48 USER MOD Set 4.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 5.1: A 18 HIS :FLIP no HD1:sc= 0.0709 F(o=2.3,f=5.6) USER MOD Set 5.2: A 22 CYS SG : rot -156:sc= 1.29 USER MOD Set 5.3: A 40 CYS SG : rot 92:sc= 1.39 USER MOD Set 5.4: A 44 LYS NZ :NH3+ -133:sc= 2.85 (180deg=-0.481) USER MOD Set 6.1: A 11 GLN : amide:sc= 1.7 K(o=1.7,f=-0.8) USER MOD Set 6.2: A 12 GLN : amide:sc= 0.119 K(o=1.7,f=-1.1) USER MOD Set 6.3: A 43 MET CE :methyl 174:sc= -0.137 (180deg=-0.204) USER MOD Single : A 1 ALA N :NH3+ 138:sc= 0.0815 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= 1.23 (180deg=1.22) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.753 USER MOD Single : A 45 ASN : amide:sc= 0.97 K(o=0.97,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -174:sc= -0.823 (180deg=-0.955) USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= 1.24 (180deg=1.06) USER MOD Single : A 60 GLN : amide:sc= 0.637 K(o=0.64,f=-0.059) USER MOD Single : A 63 HIS : no HD1:sc= -0.0211 X(o=-0.021,f=-0.021) USER MOD Single : A 66 SER OG : rot 80:sc= 0.923 USER MOD Single : A 67 SER OG : rot -82:sc= 1.26 USER MOD Single : A 69 GLN : amide:sc= -0.438 K(o=-0.44,f=-1.6) USER MOD Single : A 72 SER OG : rot 75:sc= 1.98 USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 1.02 (180deg=0.992) USER MOD Single : A 76 ASN : amide:sc= 0.878 K(o=0.88,f=-0.26) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0615 X(o=-0.062,f=-0.0023) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 THR OG1 : rot 180:sc= 0.22 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot 84:sc= 0.152 USER MOD Single : B 126 ASN : amide:sc= 1.74 K(o=1.7,f=-4.7!) USER MOD Single : B 130 GLN : amide:sc= 0.49 K(o=0.49,f=-4.1!) USER MOD Single : B 147 GLN : amide:sc= 0.829 K(o=0.83,f=0) USER MOD Single : B 149 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.788 -11.910 15.590 1.00 0.00 N ATOM 2 CA ALA A 1 5.972 -10.689 15.372 1.00 0.00 C ATOM 3 C ALA A 1 6.062 -9.755 16.586 1.00 0.00 C ATOM 4 O ALA A 1 6.355 -10.207 17.696 1.00 0.00 O ATOM 5 CB ALA A 1 4.514 -11.051 15.040 1.00 0.00 C ATOM 0 H1 ALA A 1 6.264 -12.743 15.253 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.682 -11.828 15.065 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.990 -12.016 16.605 1.00 0.00 H new ATOM 0 HA ALA A 1 6.376 -10.155 14.512 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.939 -10.138 14.885 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.487 -11.655 14.133 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.082 -11.616 15.866 1.00 0.00 H new ATOM 13 N ASP A 2 5.820 -8.455 16.398 1.00 0.00 N ATOM 14 CA ASP A 2 5.884 -7.427 17.449 1.00 0.00 C ATOM 15 C ASP A 2 4.798 -6.340 17.257 1.00 0.00 C ATOM 16 O ASP A 2 4.617 -5.867 16.130 1.00 0.00 O ATOM 17 CB ASP A 2 7.287 -6.799 17.438 1.00 0.00 C ATOM 18 CG ASP A 2 7.473 -5.819 18.604 1.00 0.00 C ATOM 19 OD1 ASP A 2 7.087 -4.636 18.457 1.00 0.00 O ATOM 20 OD2 ASP A 2 7.987 -6.235 19.668 1.00 0.00 O ATOM 0 H ASP A 2 5.567 -8.074 15.486 1.00 0.00 H new ATOM 0 HA ASP A 2 5.692 -7.897 18.414 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.039 -7.585 17.499 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.446 -6.278 16.494 1.00 0.00 H new ATOM 25 N PRO A 3 4.072 -5.922 18.320 1.00 0.00 N ATOM 26 CA PRO A 3 3.042 -4.882 18.247 1.00 0.00 C ATOM 27 C PRO A 3 3.475 -3.607 17.508 1.00 0.00 C ATOM 28 O PRO A 3 2.761 -3.145 16.621 1.00 0.00 O ATOM 29 CB PRO A 3 2.638 -4.583 19.695 1.00 0.00 C ATOM 30 CG PRO A 3 2.923 -5.899 20.409 1.00 0.00 C ATOM 31 CD PRO A 3 4.169 -6.413 19.690 1.00 0.00 C ATOM 0 HA PRO A 3 2.206 -5.248 17.652 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.219 -3.762 20.115 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.588 -4.302 19.771 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.103 -5.750 21.474 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.089 -6.596 20.321 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.076 -6.049 20.172 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.211 -7.502 19.712 1.00 0.00 H new ATOM 39 N GLU A 4 4.638 -3.033 17.831 1.00 0.00 N ATOM 40 CA GLU A 4 5.145 -1.816 17.180 1.00 0.00 C ATOM 41 C GLU A 4 5.417 -2.028 15.684 1.00 0.00 C ATOM 42 O GLU A 4 5.059 -1.171 14.874 1.00 0.00 O ATOM 43 CB GLU A 4 6.376 -1.249 17.896 1.00 0.00 C ATOM 44 CG GLU A 4 6.094 -0.905 19.366 1.00 0.00 C ATOM 45 CD GLU A 4 7.305 -0.208 20.017 1.00 0.00 C ATOM 46 OE1 GLU A 4 7.439 1.033 19.880 1.00 0.00 O ATOM 47 OE2 GLU A 4 8.123 -0.886 20.685 1.00 0.00 O ATOM 0 H GLU A 4 5.258 -3.399 18.554 1.00 0.00 H new ATOM 0 HA GLU A 4 4.352 -1.072 17.261 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.188 -1.974 17.845 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.715 -0.354 17.375 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.220 -0.256 19.429 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.856 -1.815 19.916 1.00 0.00 H new ATOM 54 N LYS A 5 5.983 -3.178 15.284 1.00 0.00 N ATOM 55 CA LYS A 5 6.156 -3.514 13.858 1.00 0.00 C ATOM 56 C LYS A 5 4.799 -3.551 13.151 1.00 0.00 C ATOM 57 O LYS A 5 4.694 -3.054 12.034 1.00 0.00 O ATOM 58 CB LYS A 5 6.931 -4.822 13.642 1.00 0.00 C ATOM 59 CG LYS A 5 8.408 -4.690 14.040 1.00 0.00 C ATOM 60 CD LYS A 5 9.169 -5.988 13.739 1.00 0.00 C ATOM 61 CE LYS A 5 10.660 -5.810 14.045 1.00 0.00 C ATOM 62 NZ LYS A 5 11.426 -7.048 13.747 1.00 0.00 N ATOM 0 H LYS A 5 6.329 -3.891 15.926 1.00 0.00 H new ATOM 0 HA LYS A 5 6.764 -2.725 13.415 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.468 -5.618 14.226 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.863 -5.115 12.594 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.863 -3.862 13.497 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.484 -4.456 15.102 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.762 -6.804 14.337 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.035 -6.262 12.693 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.058 -4.984 13.456 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.789 -5.544 15.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.444 -6.836 13.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.219 -7.767 14.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.152 -7.409 12.811 1.00 0.00 H new ATOM 76 N ARG A 6 3.743 -4.066 13.797 1.00 0.00 N ATOM 77 CA ARG A 6 2.371 -4.037 13.253 1.00 0.00 C ATOM 78 C ARG A 6 1.892 -2.590 13.070 1.00 0.00 C ATOM 79 O ARG A 6 1.415 -2.275 11.984 1.00 0.00 O ATOM 80 CB ARG A 6 1.408 -4.918 14.067 1.00 0.00 C ATOM 81 CG ARG A 6 1.664 -6.403 13.767 1.00 0.00 C ATOM 82 CD ARG A 6 0.722 -7.315 14.559 1.00 0.00 C ATOM 83 NE ARG A 6 0.814 -8.711 14.087 1.00 0.00 N ATOM 84 CZ ARG A 6 0.522 -9.816 14.747 1.00 0.00 C ATOM 85 NH1 ARG A 6 0.117 -9.814 15.985 1.00 0.00 N ATOM 86 NH2 ARG A 6 0.634 -10.966 14.149 1.00 0.00 N ATOM 0 H ARG A 6 3.812 -4.515 14.710 1.00 0.00 H new ATOM 0 HA ARG A 6 2.382 -4.484 12.259 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.541 -4.727 15.132 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.377 -4.663 13.823 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.535 -6.586 12.700 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.698 -6.650 14.010 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.972 -7.269 15.619 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.304 -6.960 14.457 1.00 0.00 H new ATOM 0 HE ARG A 6 1.145 -8.837 13.130 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.014 -8.932 16.486 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.097 -10.695 16.453 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.945 -11.008 13.179 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.411 -11.826 14.651 1.00 0.00 H new ATOM 100 N LYS A 7 2.076 -1.692 14.052 1.00 0.00 N ATOM 101 CA LYS A 7 1.759 -0.243 13.928 1.00 0.00 C ATOM 102 C LYS A 7 2.449 0.370 12.700 1.00 0.00 C ATOM 103 O LYS A 7 1.805 1.048 11.899 1.00 0.00 O ATOM 104 CB LYS A 7 2.143 0.557 15.187 1.00 0.00 C ATOM 105 CG LYS A 7 1.480 0.069 16.482 1.00 0.00 C ATOM 106 CD LYS A 7 2.007 0.811 17.720 1.00 0.00 C ATOM 107 CE LYS A 7 1.505 2.258 17.844 1.00 0.00 C ATOM 108 NZ LYS A 7 0.077 2.319 18.259 1.00 0.00 N ATOM 0 H LYS A 7 2.452 -1.945 14.966 1.00 0.00 H new ATOM 0 HA LYS A 7 0.678 -0.178 13.808 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.225 0.516 15.311 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.879 1.603 15.031 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.401 0.207 16.410 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.658 -1.000 16.598 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.715 0.259 18.613 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.097 0.817 17.691 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.117 2.793 18.570 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.627 2.767 16.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.222 3.313 18.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.511 1.831 17.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.036 1.856 19.183 1.00 0.00 H new ATOM 122 N LEU A 8 3.749 0.109 12.536 1.00 0.00 N ATOM 123 CA LEU A 8 4.559 0.542 11.391 1.00 0.00 C ATOM 124 C LEU A 8 3.986 -0.001 10.069 1.00 0.00 C ATOM 125 O LEU A 8 3.748 0.769 9.141 1.00 0.00 O ATOM 126 CB LEU A 8 6.027 0.119 11.595 1.00 0.00 C ATOM 127 CG LEU A 8 6.768 0.879 12.710 1.00 0.00 C ATOM 128 CD1 LEU A 8 8.153 0.263 12.912 1.00 0.00 C ATOM 129 CD2 LEU A 8 6.941 2.364 12.380 1.00 0.00 C ATOM 0 H LEU A 8 4.285 -0.427 13.218 1.00 0.00 H new ATOM 0 HA LEU A 8 4.525 1.630 11.328 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.055 -0.947 11.820 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.565 0.261 10.658 1.00 0.00 H new ATOM 0 HG LEU A 8 6.166 0.797 13.615 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.679 0.800 13.701 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.048 -0.785 13.194 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.721 0.333 11.985 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.469 2.859 13.195 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.516 2.468 11.460 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.962 2.824 12.250 1.00 0.00 H new ATOM 141 N ILE A 9 3.734 -1.310 9.979 1.00 0.00 N ATOM 142 CA ILE A 9 3.125 -1.972 8.815 1.00 0.00 C ATOM 143 C ILE A 9 1.786 -1.301 8.466 1.00 0.00 C ATOM 144 O ILE A 9 1.603 -0.896 7.323 1.00 0.00 O ATOM 145 CB ILE A 9 3.021 -3.498 9.047 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.438 -4.118 8.987 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.119 -4.186 8.007 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.531 -5.506 9.624 1.00 0.00 C ATOM 0 H ILE A 9 3.953 -1.960 10.734 1.00 0.00 H new ATOM 0 HA ILE A 9 3.766 -1.850 7.942 1.00 0.00 H new ATOM 0 HB ILE A 9 2.571 -3.655 10.027 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.752 -4.185 7.945 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.138 -3.450 9.489 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.078 -5.256 8.212 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.114 -3.767 8.063 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.525 -4.023 7.009 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.553 -5.875 9.544 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.249 -5.444 10.675 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.857 -6.189 9.108 1.00 0.00 H new ATOM 160 N GLN A 10 0.875 -1.129 9.434 1.00 0.00 N ATOM 161 CA GLN A 10 -0.416 -0.436 9.285 1.00 0.00 C ATOM 162 C GLN A 10 -0.239 0.962 8.670 1.00 0.00 C ATOM 163 O GLN A 10 -0.887 1.287 7.673 1.00 0.00 O ATOM 164 CB GLN A 10 -1.123 -0.327 10.648 1.00 0.00 C ATOM 165 CG GLN A 10 -1.695 -1.658 11.137 1.00 0.00 C ATOM 166 CD GLN A 10 -2.270 -1.556 12.548 1.00 0.00 C ATOM 167 OE1 GLN A 10 -1.596 -1.780 13.545 1.00 0.00 O ATOM 168 NE2 GLN A 10 -3.535 -1.221 12.694 1.00 0.00 N ATOM 0 H GLN A 10 1.021 -1.482 10.380 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.032 -1.026 8.606 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.417 0.051 11.387 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.929 0.403 10.575 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.475 -1.990 10.452 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.912 -2.416 11.120 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.110 -1.031 11.873 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.940 -1.151 13.628 1.00 0.00 H new ATOM 177 N GLN A 11 0.652 1.779 9.244 1.00 0.00 N ATOM 178 CA GLN A 11 1.001 3.117 8.758 1.00 0.00 C ATOM 179 C GLN A 11 1.411 3.069 7.273 1.00 0.00 C ATOM 180 O GLN A 11 0.831 3.773 6.444 1.00 0.00 O ATOM 181 CB GLN A 11 2.110 3.691 9.657 1.00 0.00 C ATOM 182 CG GLN A 11 2.467 5.145 9.335 1.00 0.00 C ATOM 183 CD GLN A 11 3.777 5.537 10.010 1.00 0.00 C ATOM 184 OE1 GLN A 11 3.820 5.916 11.172 1.00 0.00 O ATOM 185 NE2 GLN A 11 4.887 5.436 9.315 1.00 0.00 N ATOM 0 H GLN A 11 1.165 1.518 10.086 1.00 0.00 H new ATOM 0 HA GLN A 11 0.135 3.777 8.813 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.793 3.625 10.698 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.004 3.075 9.556 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.555 5.273 8.256 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.667 5.805 9.671 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.855 5.120 8.346 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.781 5.673 9.745 1.00 0.00 H new ATOM 194 N GLN A 12 2.389 2.228 6.921 1.00 0.00 N ATOM 195 CA GLN A 12 2.858 2.045 5.541 1.00 0.00 C ATOM 196 C GLN A 12 1.757 1.534 4.598 1.00 0.00 C ATOM 197 O GLN A 12 1.682 2.007 3.467 1.00 0.00 O ATOM 198 CB GLN A 12 4.116 1.160 5.503 1.00 0.00 C ATOM 199 CG GLN A 12 5.313 1.780 6.254 1.00 0.00 C ATOM 200 CD GLN A 12 5.508 3.262 5.947 1.00 0.00 C ATOM 201 OE1 GLN A 12 5.335 4.129 6.793 1.00 0.00 O ATOM 202 NE2 GLN A 12 5.837 3.609 4.724 1.00 0.00 N ATOM 0 H GLN A 12 2.885 1.646 7.596 1.00 0.00 H new ATOM 0 HA GLN A 12 3.132 3.030 5.162 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.884 0.189 5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.398 0.983 4.465 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.167 1.653 7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.221 1.238 5.990 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.983 2.893 4.013 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.946 4.595 4.486 1.00 0.00 H new ATOM 211 N LEU A 13 0.888 0.618 5.043 1.00 0.00 N ATOM 212 CA LEU A 13 -0.266 0.098 4.301 1.00 0.00 C ATOM 213 C LEU A 13 -1.154 1.277 3.864 1.00 0.00 C ATOM 214 O LEU A 13 -1.403 1.460 2.673 1.00 0.00 O ATOM 215 CB LEU A 13 -0.985 -0.972 5.158 1.00 0.00 C ATOM 216 CG LEU A 13 -1.687 -2.071 4.339 1.00 0.00 C ATOM 217 CD1 LEU A 13 -1.880 -3.344 5.166 1.00 0.00 C ATOM 218 CD2 LEU A 13 -3.058 -1.647 3.831 1.00 0.00 C ATOM 0 H LEU A 13 0.974 0.201 5.970 1.00 0.00 H new ATOM 0 HA LEU A 13 0.035 -0.409 3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.257 -1.439 5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.723 -0.479 5.790 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.030 -2.255 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.378 -4.100 4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.909 -3.719 5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.491 -3.121 6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.503 -2.463 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.700 -1.403 4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.954 -0.771 3.190 1.00 0.00 H new ATOM 230 N VAL A 14 -1.568 2.121 4.816 1.00 0.00 N ATOM 231 CA VAL A 14 -2.349 3.344 4.568 1.00 0.00 C ATOM 232 C VAL A 14 -1.630 4.272 3.582 1.00 0.00 C ATOM 233 O VAL A 14 -2.227 4.656 2.575 1.00 0.00 O ATOM 234 CB VAL A 14 -2.676 4.066 5.890 1.00 0.00 C ATOM 235 CG1 VAL A 14 -3.307 5.446 5.668 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.657 3.229 6.719 1.00 0.00 C ATOM 0 H VAL A 14 -1.366 1.971 5.805 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.294 3.053 4.109 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.728 4.195 6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.517 5.910 6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.617 6.075 5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.236 5.336 5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.881 3.748 7.651 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.578 3.083 6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.210 2.260 6.942 1.00 0.00 H new ATOM 246 N LEU A 15 -0.366 4.635 3.846 1.00 0.00 N ATOM 247 CA LEU A 15 0.411 5.510 2.959 1.00 0.00 C ATOM 248 C LEU A 15 0.506 4.975 1.528 1.00 0.00 C ATOM 249 O LEU A 15 0.325 5.742 0.589 1.00 0.00 O ATOM 250 CB LEU A 15 1.833 5.781 3.480 1.00 0.00 C ATOM 251 CG LEU A 15 1.962 6.616 4.758 1.00 0.00 C ATOM 252 CD1 LEU A 15 3.432 6.978 4.962 1.00 0.00 C ATOM 253 CD2 LEU A 15 1.172 7.921 4.675 1.00 0.00 C ATOM 0 H LEU A 15 0.143 4.332 4.676 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.146 6.447 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.318 4.820 3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.392 6.283 2.690 1.00 0.00 H new ATOM 0 HG LEU A 15 1.568 6.020 5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.538 7.573 5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.022 6.066 5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.787 7.554 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.293 8.479 5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.542 8.518 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.116 7.698 4.521 1.00 0.00 H new ATOM 265 N LEU A 16 0.806 3.690 1.341 1.00 0.00 N ATOM 266 CA LEU A 16 0.946 3.059 0.029 1.00 0.00 C ATOM 267 C LEU A 16 -0.355 3.109 -0.790 1.00 0.00 C ATOM 268 O LEU A 16 -0.343 3.510 -1.954 1.00 0.00 O ATOM 269 CB LEU A 16 1.459 1.630 0.233 1.00 0.00 C ATOM 270 CG LEU A 16 1.891 0.960 -1.077 1.00 0.00 C ATOM 271 CD1 LEU A 16 3.078 1.684 -1.710 1.00 0.00 C ATOM 272 CD2 LEU A 16 2.338 -0.454 -0.751 1.00 0.00 C ATOM 0 H LEU A 16 0.962 3.044 2.115 1.00 0.00 H new ATOM 0 HA LEU A 16 1.669 3.618 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.303 1.647 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.677 1.032 0.701 1.00 0.00 H new ATOM 0 HG LEU A 16 1.052 0.982 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.358 1.183 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.802 2.716 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.922 1.670 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.652 -0.956 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.173 -0.419 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.510 -1.003 -0.301 1.00 0.00 H new ATOM 284 N LEU A 17 -1.478 2.737 -0.169 1.00 0.00 N ATOM 285 CA LEU A 17 -2.820 2.842 -0.759 1.00 0.00 C ATOM 286 C LEU A 17 -3.120 4.286 -1.176 1.00 0.00 C ATOM 287 O LEU A 17 -3.486 4.537 -2.329 1.00 0.00 O ATOM 288 CB LEU A 17 -3.880 2.310 0.218 1.00 0.00 C ATOM 289 CG LEU A 17 -4.207 0.816 0.054 1.00 0.00 C ATOM 290 CD1 LEU A 17 -3.034 -0.149 0.203 1.00 0.00 C ATOM 291 CD2 LEU A 17 -5.236 0.454 1.113 1.00 0.00 C ATOM 0 H LEU A 17 -1.483 2.348 0.774 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.852 2.226 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.536 2.484 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.796 2.886 0.089 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.554 0.701 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.385 -1.172 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.278 0.078 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.600 -0.043 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.492 -0.602 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.822 0.647 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.132 1.058 0.971 1.00 0.00 H new ATOM 303 N HIS A 18 -2.939 5.232 -0.251 1.00 0.00 N ATOM 304 CA HIS A 18 -3.102 6.662 -0.500 1.00 0.00 C ATOM 305 C HIS A 18 -2.230 7.108 -1.686 1.00 0.00 C ATOM 306 O HIS A 18 -2.755 7.693 -2.627 1.00 0.00 O ATOM 307 CB HIS A 18 -2.796 7.460 0.779 1.00 0.00 C ATOM 308 CG HIS A 18 -2.894 8.956 0.590 1.00 0.00 C ATOM 309 ND1 HIS A 18 -1.999 9.739 -0.089 1.00 0.00 N flip ATOM 310 CD2 HIS A 18 -3.904 9.779 1.042 1.00 0.00 C flip ATOM 311 CE1 HIS A 18 -2.476 11.054 -0.075 1.00 0.00 C flip ATOM 312 NE2 HIS A 18 -3.623 11.030 0.627 1.00 0.00 N flip ATOM 0 H HIS A 18 -2.670 5.019 0.710 1.00 0.00 H new ATOM 0 HA HIS A 18 -4.138 6.863 -0.773 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.488 7.154 1.564 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.793 7.210 1.123 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.763 9.476 1.622 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.016 11.916 -0.535 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.202 11.848 0.819 1.00 0.00 H new ATOM 320 N ALA A 19 -0.921 6.836 -1.652 1.00 0.00 N ATOM 321 CA ALA A 19 0.082 7.223 -2.642 1.00 0.00 C ATOM 322 C ALA A 19 -0.377 7.090 -4.098 1.00 0.00 C ATOM 323 O ALA A 19 -0.345 8.089 -4.814 1.00 0.00 O ATOM 324 CB ALA A 19 1.399 6.492 -2.376 1.00 0.00 C ATOM 0 H ALA A 19 -0.511 6.306 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 19 0.243 8.293 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.137 6.790 -3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.763 6.749 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.236 5.416 -2.436 1.00 0.00 H new ATOM 330 N HIS A 20 -0.801 5.902 -4.555 1.00 0.00 N ATOM 331 CA HIS A 20 -1.273 5.714 -5.941 1.00 0.00 C ATOM 332 C HIS A 20 -2.619 6.402 -6.221 1.00 0.00 C ATOM 333 O HIS A 20 -2.773 7.020 -7.275 1.00 0.00 O ATOM 334 CB HIS A 20 -1.296 4.235 -6.324 1.00 0.00 C ATOM 335 CG HIS A 20 -1.631 4.023 -7.782 1.00 0.00 C ATOM 336 ND1 HIS A 20 -0.895 4.486 -8.860 1.00 0.00 N ATOM 337 CD2 HIS A 20 -2.768 3.430 -8.264 1.00 0.00 C ATOM 338 CE1 HIS A 20 -1.580 4.183 -9.980 1.00 0.00 C ATOM 339 NE2 HIS A 20 -2.717 3.536 -9.643 1.00 0.00 N ATOM 0 H HIS A 20 -0.828 5.055 -3.987 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.548 6.213 -6.584 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.324 3.792 -6.109 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.027 3.714 -5.706 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.552 2.969 -7.681 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.269 4.420 -10.987 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.419 3.185 -10.294 1.00 0.00 H new ATOM 348 N LYS A 21 -3.588 6.351 -5.296 1.00 0.00 N ATOM 349 CA LYS A 21 -4.873 7.074 -5.433 1.00 0.00 C ATOM 350 C LYS A 21 -4.618 8.581 -5.651 1.00 0.00 C ATOM 351 O LYS A 21 -5.144 9.190 -6.583 1.00 0.00 O ATOM 352 CB LYS A 21 -5.760 6.756 -4.217 1.00 0.00 C ATOM 353 CG LYS A 21 -7.141 7.425 -4.309 1.00 0.00 C ATOM 354 CD LYS A 21 -8.158 6.829 -3.322 1.00 0.00 C ATOM 355 CE LYS A 21 -7.731 6.879 -1.846 1.00 0.00 C ATOM 356 NZ LYS A 21 -7.613 8.272 -1.333 1.00 0.00 N ATOM 0 H LYS A 21 -3.510 5.812 -4.434 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.417 6.739 -6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.887 5.676 -4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.258 7.088 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.036 8.493 -4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.523 7.321 -5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.103 7.361 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.344 5.791 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.457 6.333 -1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.774 6.371 -1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.323 8.251 -0.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.902 8.788 -1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.532 8.752 -1.416 1.00 0.00 H new ATOM 370 N CYS A 22 -3.746 9.149 -4.824 1.00 0.00 N ATOM 371 CA CYS A 22 -3.220 10.508 -4.855 1.00 0.00 C ATOM 372 C CYS A 22 -2.419 10.775 -6.159 1.00 0.00 C ATOM 373 O CYS A 22 -2.581 11.817 -6.789 1.00 0.00 O ATOM 374 CB CYS A 22 -2.424 10.654 -3.551 1.00 0.00 C ATOM 375 SG CYS A 22 -1.684 12.288 -3.338 1.00 0.00 S ATOM 0 H CYS A 22 -3.354 8.621 -4.044 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.995 11.274 -4.891 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -3.083 10.450 -2.707 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.636 9.901 -3.529 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.660 12.200 -2.542 1.00 0.00 H new ATOM 627 N HIS A 39 5.972 12.153 3.076 1.00 0.00 N ATOM 628 CA HIS A 39 6.011 10.693 2.937 1.00 0.00 C ATOM 629 C HIS A 39 5.313 10.189 1.662 1.00 0.00 C ATOM 630 O HIS A 39 5.769 9.216 1.068 1.00 0.00 O ATOM 631 CB HIS A 39 5.398 10.057 4.197 1.00 0.00 C ATOM 632 CG HIS A 39 5.925 10.614 5.502 1.00 0.00 C ATOM 633 ND1 HIS A 39 5.155 11.015 6.581 1.00 0.00 N ATOM 634 CD2 HIS A 39 7.238 10.851 5.810 1.00 0.00 C ATOM 635 CE1 HIS A 39 5.992 11.479 7.532 1.00 0.00 C ATOM 636 NE2 HIS A 39 7.262 11.388 7.085 1.00 0.00 N ATOM 0 HA HIS A 39 7.054 10.391 2.836 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.317 10.194 4.168 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.584 8.983 4.174 1.00 0.00 H new ATOM 0 HD2 HIS A 39 8.092 10.656 5.178 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.693 11.862 8.497 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.097 11.667 7.599 1.00 0.00 H new ATOM 645 N CYS A 40 4.234 10.851 1.230 1.00 0.00 N ATOM 646 CA CYS A 40 3.460 10.531 0.027 1.00 0.00 C ATOM 647 C CYS A 40 4.372 10.445 -1.218 1.00 0.00 C ATOM 648 O CYS A 40 4.365 9.440 -1.932 1.00 0.00 O ATOM 649 CB CYS A 40 2.342 11.579 -0.094 1.00 0.00 C ATOM 650 SG CYS A 40 0.970 11.010 -1.137 1.00 0.00 S ATOM 0 H CYS A 40 3.861 11.658 1.730 1.00 0.00 H new ATOM 0 HA CYS A 40 3.003 9.544 0.101 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.964 11.819 0.900 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.753 12.499 -0.510 1.00 0.00 H new ATOM 0 HG CYS A 40 0.072 10.433 -0.395 1.00 0.00 H new ATOM 655 N ARG A 41 5.229 11.459 -1.429 1.00 0.00 N ATOM 656 CA ARG A 41 6.265 11.509 -2.483 1.00 0.00 C ATOM 657 C ARG A 41 7.135 10.248 -2.452 1.00 0.00 C ATOM 658 O ARG A 41 7.332 9.605 -3.483 1.00 0.00 O ATOM 659 CB ARG A 41 7.106 12.790 -2.309 1.00 0.00 C ATOM 660 CG ARG A 41 8.204 12.979 -3.378 1.00 0.00 C ATOM 661 CD ARG A 41 9.585 13.262 -2.766 1.00 0.00 C ATOM 662 NE ARG A 41 10.123 12.097 -2.024 1.00 0.00 N ATOM 663 CZ ARG A 41 11.141 11.316 -2.347 1.00 0.00 C ATOM 664 NH1 ARG A 41 11.816 11.454 -3.454 1.00 0.00 N ATOM 665 NH2 ARG A 41 11.506 10.363 -1.544 1.00 0.00 N ATOM 0 H ARG A 41 5.221 12.299 -0.850 1.00 0.00 H new ATOM 0 HA ARG A 41 5.787 11.539 -3.462 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.441 13.653 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.573 12.773 -1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.262 12.083 -3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.927 13.803 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.281 13.538 -3.558 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.513 14.116 -2.093 1.00 0.00 H new ATOM 0 HE ARG A 41 9.647 11.868 -1.152 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.566 12.189 -4.115 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.594 10.827 -3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.008 10.217 -0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.291 9.760 -1.792 1.00 0.00 H new ATOM 679 N THR A 42 7.642 9.881 -1.275 1.00 0.00 N ATOM 680 CA THR A 42 8.448 8.669 -1.057 1.00 0.00 C ATOM 681 C THR A 42 7.666 7.414 -1.446 1.00 0.00 C ATOM 682 O THR A 42 8.155 6.634 -2.261 1.00 0.00 O ATOM 683 CB THR A 42 8.981 8.593 0.381 1.00 0.00 C ATOM 684 OG1 THR A 42 9.721 9.771 0.640 1.00 0.00 O ATOM 685 CG2 THR A 42 9.926 7.410 0.581 1.00 0.00 C ATOM 0 H THR A 42 7.503 10.427 -0.425 1.00 0.00 H new ATOM 0 HA THR A 42 9.319 8.726 -1.710 1.00 0.00 H new ATOM 0 HB THR A 42 8.128 8.478 1.049 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.070 9.744 1.555 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.278 7.396 1.612 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.397 6.481 0.365 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.778 7.507 -0.092 1.00 0.00 H new ATOM 693 N MET A 43 6.450 7.212 -0.930 1.00 0.00 N ATOM 694 CA MET A 43 5.604 6.070 -1.309 1.00 0.00 C ATOM 695 C MET A 43 5.327 6.033 -2.827 1.00 0.00 C ATOM 696 O MET A 43 5.349 4.950 -3.405 1.00 0.00 O ATOM 697 CB MET A 43 4.315 5.996 -0.482 1.00 0.00 C ATOM 698 CG MET A 43 4.484 5.305 0.879 1.00 0.00 C ATOM 699 SD MET A 43 5.580 6.090 2.092 1.00 0.00 S ATOM 700 CE MET A 43 7.060 5.068 1.873 1.00 0.00 C ATOM 0 H MET A 43 6.023 7.831 -0.241 1.00 0.00 H new ATOM 0 HA MET A 43 6.172 5.171 -1.071 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.941 7.007 -0.321 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.557 5.463 -1.057 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.497 5.209 1.331 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.852 4.295 0.699 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.876 5.478 2.468 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.850 4.049 2.198 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.345 5.062 0.821 1.00 0.00 H new ATOM 710 N LYS A 44 5.115 7.173 -3.506 1.00 0.00 N ATOM 711 CA LYS A 44 4.959 7.244 -4.978 1.00 0.00 C ATOM 712 C LYS A 44 6.235 6.790 -5.708 1.00 0.00 C ATOM 713 O LYS A 44 6.145 6.063 -6.696 1.00 0.00 O ATOM 714 CB LYS A 44 4.524 8.645 -5.440 1.00 0.00 C ATOM 715 CG LYS A 44 3.054 8.951 -5.103 1.00 0.00 C ATOM 716 CD LYS A 44 2.604 10.296 -5.716 1.00 0.00 C ATOM 717 CE LYS A 44 1.868 11.264 -4.776 1.00 0.00 C ATOM 718 NZ LYS A 44 0.735 10.652 -4.057 1.00 0.00 N ATOM 0 H LYS A 44 5.046 8.082 -3.049 1.00 0.00 H new ATOM 0 HA LYS A 44 4.162 6.550 -5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.163 9.393 -4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.671 8.730 -6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.419 8.148 -5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.926 8.981 -4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.485 10.804 -6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.954 10.084 -6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.577 11.658 -4.048 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.503 12.111 -5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.094 11.276 -4.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.509 9.732 -4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.991 10.516 -3.058 1.00 0.00 H new ATOM 732 N ASN A 45 7.420 7.171 -5.223 1.00 0.00 N ATOM 733 CA ASN A 45 8.713 6.715 -5.762 1.00 0.00 C ATOM 734 C ASN A 45 8.855 5.188 -5.588 1.00 0.00 C ATOM 735 O ASN A 45 9.190 4.478 -6.538 1.00 0.00 O ATOM 736 CB ASN A 45 9.875 7.485 -5.105 1.00 0.00 C ATOM 737 CG ASN A 45 10.140 8.820 -5.780 1.00 0.00 C ATOM 738 OD1 ASN A 45 11.061 8.969 -6.571 1.00 0.00 O ATOM 739 ND2 ASN A 45 9.353 9.832 -5.500 1.00 0.00 N ATOM 0 H ASN A 45 7.514 7.812 -4.436 1.00 0.00 H new ATOM 0 HA ASN A 45 8.750 6.928 -6.830 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.647 7.652 -4.052 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.778 6.876 -5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.511 10.738 -5.941 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.584 9.713 -4.841 1.00 0.00 H new ATOM 746 N VAL A 46 8.557 4.677 -4.388 1.00 0.00 N ATOM 747 CA VAL A 46 8.527 3.243 -4.039 1.00 0.00 C ATOM 748 C VAL A 46 7.589 2.487 -4.990 1.00 0.00 C ATOM 749 O VAL A 46 7.992 1.491 -5.588 1.00 0.00 O ATOM 750 CB VAL A 46 8.132 3.079 -2.557 1.00 0.00 C ATOM 751 CG1 VAL A 46 7.738 1.652 -2.158 1.00 0.00 C ATOM 752 CG2 VAL A 46 9.294 3.538 -1.665 1.00 0.00 C ATOM 0 H VAL A 46 8.319 5.274 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 46 9.518 2.807 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 46 7.244 3.696 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.476 1.629 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.882 1.332 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.576 0.979 -2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.016 3.423 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.175 2.932 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.517 4.586 -1.868 1.00 0.00 H new ATOM 762 N LEU A 47 6.362 2.986 -5.170 1.00 0.00 N ATOM 763 CA LEU A 47 5.338 2.487 -6.092 1.00 0.00 C ATOM 764 C LEU A 47 5.896 2.377 -7.522 1.00 0.00 C ATOM 765 O LEU A 47 5.881 1.292 -8.106 1.00 0.00 O ATOM 766 CB LEU A 47 4.098 3.394 -5.963 1.00 0.00 C ATOM 767 CG LEU A 47 2.852 2.995 -6.762 1.00 0.00 C ATOM 768 CD1 LEU A 47 2.978 3.198 -8.263 1.00 0.00 C ATOM 769 CD2 LEU A 47 2.482 1.543 -6.513 1.00 0.00 C ATOM 0 H LEU A 47 6.038 3.798 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 47 5.034 1.472 -5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.823 3.442 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.384 4.402 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 47 2.073 3.666 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.053 2.891 -8.751 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.167 4.251 -8.473 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.805 2.598 -8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.595 1.289 -7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.309 0.900 -6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.277 1.397 -5.453 1.00 0.00 H new ATOM 781 N ASN A 48 6.405 3.486 -8.073 1.00 0.00 N ATOM 782 CA ASN A 48 7.020 3.556 -9.403 1.00 0.00 C ATOM 783 C ASN A 48 8.106 2.483 -9.590 1.00 0.00 C ATOM 784 O ASN A 48 8.156 1.812 -10.620 1.00 0.00 O ATOM 785 CB ASN A 48 7.595 4.963 -9.615 1.00 0.00 C ATOM 786 CG ASN A 48 8.221 5.105 -10.994 1.00 0.00 C ATOM 787 OD1 ASN A 48 7.542 5.147 -12.010 1.00 0.00 O ATOM 788 ND2 ASN A 48 9.531 5.182 -11.078 1.00 0.00 N ATOM 0 H ASN A 48 6.400 4.385 -7.591 1.00 0.00 H new ATOM 0 HA ASN A 48 6.254 3.357 -10.152 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.804 5.703 -9.495 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.344 5.171 -8.851 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.979 5.277 -11.989 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.099 5.147 -10.232 1.00 0.00 H new ATOM 795 N HIS A 49 8.980 2.316 -8.596 1.00 0.00 N ATOM 796 CA HIS A 49 10.017 1.291 -8.612 1.00 0.00 C ATOM 797 C HIS A 49 9.405 -0.127 -8.638 1.00 0.00 C ATOM 798 O HIS A 49 9.744 -0.916 -9.524 1.00 0.00 O ATOM 799 CB HIS A 49 10.974 1.504 -7.429 1.00 0.00 C ATOM 800 CG HIS A 49 11.955 0.365 -7.281 1.00 0.00 C ATOM 801 ND1 HIS A 49 13.067 0.149 -8.068 1.00 0.00 N ATOM 802 CD2 HIS A 49 11.767 -0.756 -6.512 1.00 0.00 C ATOM 803 CE1 HIS A 49 13.518 -1.092 -7.804 1.00 0.00 C ATOM 804 NE2 HIS A 49 12.768 -1.673 -6.852 1.00 0.00 N ATOM 0 H HIS A 49 8.986 2.892 -7.755 1.00 0.00 H new ATOM 0 HA HIS A 49 10.599 1.383 -9.529 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.520 2.437 -7.568 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.397 1.607 -6.510 1.00 0.00 H new ATOM 0 HD1 HIS A 49 13.474 0.810 -8.730 1.00 0.00 H new ATOM 0 HD2 HIS A 49 10.988 -0.904 -5.778 1.00 0.00 H new ATOM 0 HE1 HIS A 49 14.364 -1.556 -8.289 1.00 0.00 H new ATOM 812 N MET A 50 8.519 -0.469 -7.690 1.00 0.00 N ATOM 813 CA MET A 50 7.937 -1.816 -7.579 1.00 0.00 C ATOM 814 C MET A 50 7.148 -2.343 -8.792 1.00 0.00 C ATOM 815 O MET A 50 7.072 -3.561 -8.965 1.00 0.00 O ATOM 816 CB MET A 50 7.186 -2.048 -6.263 1.00 0.00 C ATOM 817 CG MET A 50 5.915 -1.257 -5.999 1.00 0.00 C ATOM 818 SD MET A 50 4.965 -2.097 -4.704 1.00 0.00 S ATOM 819 CE MET A 50 3.525 -1.028 -4.578 1.00 0.00 C ATOM 0 H MET A 50 8.185 0.181 -6.978 1.00 0.00 H new ATOM 0 HA MET A 50 8.832 -2.438 -7.572 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.934 -3.107 -6.209 1.00 0.00 H new ATOM 0 HB3 MET A 50 7.879 -1.843 -5.447 1.00 0.00 H new ATOM 0 HG2 MET A 50 6.160 -0.241 -5.689 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.323 -1.178 -6.911 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.900 -1.356 -3.748 1.00 0.00 H new ATOM 0 HE2 MET A 50 3.848 -0.001 -4.406 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.953 -1.078 -5.504 1.00 0.00 H new ATOM 829 N THR A 51 6.581 -1.491 -9.653 1.00 0.00 N ATOM 830 CA THR A 51 5.929 -1.966 -10.893 1.00 0.00 C ATOM 831 C THR A 51 6.965 -2.473 -11.906 1.00 0.00 C ATOM 832 O THR A 51 6.731 -3.487 -12.569 1.00 0.00 O ATOM 833 CB THR A 51 5.044 -0.910 -11.567 1.00 0.00 C ATOM 834 OG1 THR A 51 5.727 0.315 -11.701 1.00 0.00 O ATOM 835 CG2 THR A 51 3.761 -0.664 -10.782 1.00 0.00 C ATOM 0 H THR A 51 6.556 -0.480 -9.523 1.00 0.00 H new ATOM 0 HA THR A 51 5.281 -2.784 -10.579 1.00 0.00 H new ATOM 0 HB THR A 51 4.792 -1.302 -12.552 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.141 0.970 -12.135 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.161 0.090 -11.292 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.194 -1.592 -10.712 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.009 -0.314 -9.780 1.00 0.00 H new ATOM 843 N HIS A 52 8.112 -1.790 -12.023 1.00 0.00 N ATOM 844 CA HIS A 52 9.240 -2.153 -12.897 1.00 0.00 C ATOM 845 C HIS A 52 10.007 -3.366 -12.344 1.00 0.00 C ATOM 846 O HIS A 52 10.164 -4.368 -13.047 1.00 0.00 O ATOM 847 CB HIS A 52 10.173 -0.945 -13.098 1.00 0.00 C ATOM 848 CG HIS A 52 9.613 0.099 -14.034 1.00 0.00 C ATOM 849 ND1 HIS A 52 10.090 0.388 -15.301 1.00 0.00 N ATOM 850 CD2 HIS A 52 8.548 0.921 -13.786 1.00 0.00 C ATOM 851 CE1 HIS A 52 9.324 1.374 -15.811 1.00 0.00 C ATOM 852 NE2 HIS A 52 8.382 1.716 -14.906 1.00 0.00 N ATOM 0 H HIS A 52 8.288 -0.937 -11.492 1.00 0.00 H new ATOM 0 HA HIS A 52 8.840 -2.440 -13.869 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.372 -0.485 -12.130 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.129 -1.295 -13.487 1.00 0.00 H new ATOM 0 HD2 HIS A 52 7.950 0.945 -12.887 1.00 0.00 H new ATOM 0 HE1 HIS A 52 9.445 1.819 -16.788 1.00 0.00 H new ATOM 0 HE2 HIS A 52 7.670 2.437 -15.027 1.00 0.00 H new ATOM 861 N CYS A 53 10.484 -3.276 -11.099 1.00 0.00 N ATOM 862 CA CYS A 53 11.194 -4.339 -10.388 1.00 0.00 C ATOM 863 C CYS A 53 10.279 -5.573 -10.196 1.00 0.00 C ATOM 864 O CYS A 53 9.065 -5.439 -10.010 1.00 0.00 O ATOM 865 CB CYS A 53 11.691 -3.746 -9.061 1.00 0.00 C ATOM 866 SG CYS A 53 12.483 -4.979 -7.973 1.00 0.00 S ATOM 0 H CYS A 53 10.382 -2.429 -10.540 1.00 0.00 H new ATOM 0 HA CYS A 53 12.050 -4.698 -10.959 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.402 -2.947 -9.271 1.00 0.00 H new ATOM 0 HB3 CYS A 53 10.850 -3.294 -8.535 1.00 0.00 H new ATOM 0 HG CYS A 53 12.148 -4.747 -6.739 1.00 0.00 H new ATOM 871 N GLN A 54 10.856 -6.774 -10.222 1.00 0.00 N ATOM 872 CA GLN A 54 10.159 -8.057 -10.038 1.00 0.00 C ATOM 873 C GLN A 54 10.829 -8.976 -9.001 1.00 0.00 C ATOM 874 O GLN A 54 10.324 -10.066 -8.718 1.00 0.00 O ATOM 875 CB GLN A 54 10.073 -8.785 -11.386 1.00 0.00 C ATOM 876 CG GLN A 54 9.179 -8.043 -12.393 1.00 0.00 C ATOM 877 CD GLN A 54 8.817 -8.920 -13.588 1.00 0.00 C ATOM 878 OE1 GLN A 54 9.271 -8.720 -14.710 1.00 0.00 O ATOM 879 NE2 GLN A 54 7.988 -9.926 -13.399 1.00 0.00 N ATOM 0 H GLN A 54 11.857 -6.890 -10.377 1.00 0.00 H new ATOM 0 HA GLN A 54 9.166 -7.824 -9.654 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.074 -8.893 -11.803 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.683 -9.791 -11.229 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.267 -7.714 -11.895 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.692 -7.147 -12.743 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.604 -10.103 -12.471 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.730 -10.528 -14.181 1.00 0.00 H new ATOM 888 N ALA A 55 11.959 -8.555 -8.430 1.00 0.00 N ATOM 889 CA ALA A 55 12.720 -9.320 -7.454 1.00 0.00 C ATOM 890 C ALA A 55 11.973 -9.437 -6.111 1.00 0.00 C ATOM 891 O ALA A 55 11.615 -10.545 -5.703 1.00 0.00 O ATOM 892 CB ALA A 55 14.109 -8.685 -7.339 1.00 0.00 C ATOM 0 H ALA A 55 12.377 -7.649 -8.642 1.00 0.00 H new ATOM 0 HA ALA A 55 12.840 -10.352 -7.783 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.703 -9.239 -6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.604 -8.714 -8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.010 -7.650 -7.013 1.00 0.00 H new ATOM 898 N GLY A 56 11.730 -8.315 -5.421 1.00 0.00 N ATOM 899 CA GLY A 56 11.015 -8.247 -4.138 1.00 0.00 C ATOM 900 C GLY A 56 11.794 -8.858 -2.967 1.00 0.00 C ATOM 901 O GLY A 56 12.320 -8.137 -2.121 1.00 0.00 O ATOM 0 H GLY A 56 12.035 -7.399 -5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.792 -7.204 -3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.060 -8.763 -4.236 1.00 0.00 H new ATOM 905 N LYS A 57 11.890 -10.193 -2.933 1.00 0.00 N ATOM 906 CA LYS A 57 12.636 -10.987 -1.941 1.00 0.00 C ATOM 907 C LYS A 57 14.124 -10.605 -1.948 1.00 0.00 C ATOM 908 O LYS A 57 14.697 -10.292 -0.905 1.00 0.00 O ATOM 909 CB LYS A 57 12.475 -12.496 -2.229 1.00 0.00 C ATOM 910 CG LYS A 57 11.035 -13.039 -2.175 1.00 0.00 C ATOM 911 CD LYS A 57 10.373 -13.040 -0.788 1.00 0.00 C ATOM 912 CE LYS A 57 11.093 -13.992 0.178 1.00 0.00 C ATOM 913 NZ LYS A 57 10.241 -14.352 1.341 1.00 0.00 N ATOM 0 H LYS A 57 11.429 -10.780 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 57 12.227 -10.771 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.885 -12.704 -3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.079 -13.050 -1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.418 -12.447 -2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.037 -14.060 -2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.381 -12.030 -0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.328 -13.337 -0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.382 -14.898 -0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.011 -13.523 0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.837 -14.731 2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.741 -13.506 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.548 -15.072 1.054 1.00 0.00 H new ATOM 927 N ALA A 58 14.739 -10.653 -3.133 1.00 0.00 N ATOM 928 CA ALA A 58 16.151 -10.343 -3.373 1.00 0.00 C ATOM 929 C ALA A 58 16.460 -8.834 -3.497 1.00 0.00 C ATOM 930 O ALA A 58 17.620 -8.442 -3.328 1.00 0.00 O ATOM 931 CB ALA A 58 16.606 -11.106 -4.625 1.00 0.00 C ATOM 0 H ALA A 58 14.247 -10.920 -3.986 1.00 0.00 H new ATOM 0 HA ALA A 58 16.711 -10.664 -2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.656 -10.889 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.481 -12.177 -4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.005 -10.795 -5.479 1.00 0.00 H new ATOM 937 N CYS A 59 15.461 -7.986 -3.786 1.00 0.00 N ATOM 938 CA CYS A 59 15.647 -6.538 -3.914 1.00 0.00 C ATOM 939 C CYS A 59 16.155 -5.946 -2.581 1.00 0.00 C ATOM 940 O CYS A 59 15.554 -6.129 -1.515 1.00 0.00 O ATOM 941 CB CYS A 59 14.347 -5.881 -4.407 1.00 0.00 C ATOM 942 SG CYS A 59 14.690 -4.235 -5.121 1.00 0.00 S ATOM 0 H CYS A 59 14.499 -8.290 -3.937 1.00 0.00 H new ATOM 0 HA CYS A 59 16.411 -6.327 -4.662 1.00 0.00 H new ATOM 0 HB2 CYS A 59 13.873 -6.516 -5.155 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.645 -5.785 -3.579 1.00 0.00 H new ATOM 0 HG CYS A 59 14.037 -4.101 -6.237 1.00 0.00 H new ATOM 947 N GLN A 60 17.307 -5.277 -2.640 1.00 0.00 N ATOM 948 CA GLN A 60 17.994 -4.691 -1.485 1.00 0.00 C ATOM 949 C GLN A 60 17.225 -3.517 -0.851 1.00 0.00 C ATOM 950 O GLN A 60 17.406 -3.228 0.335 1.00 0.00 O ATOM 951 CB GLN A 60 19.416 -4.266 -1.890 1.00 0.00 C ATOM 952 CG GLN A 60 20.275 -5.422 -2.439 1.00 0.00 C ATOM 953 CD GLN A 60 20.486 -6.545 -1.421 1.00 0.00 C ATOM 954 OE1 GLN A 60 21.302 -6.449 -0.512 1.00 0.00 O ATOM 955 NE2 GLN A 60 19.774 -7.649 -1.522 1.00 0.00 N ATOM 0 H GLN A 60 17.804 -5.123 -3.518 1.00 0.00 H new ATOM 0 HA GLN A 60 18.047 -5.461 -0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.350 -3.483 -2.646 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.917 -3.832 -1.024 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.798 -5.831 -3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.245 -5.032 -2.748 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.090 -7.748 -2.272 1.00 0.00 H new ATOM 0 HE22 GLN A 60 19.907 -8.405 -0.850 1.00 0.00 H new ATOM 964 N VAL A 61 16.364 -2.843 -1.621 1.00 0.00 N ATOM 965 CA VAL A 61 15.531 -1.718 -1.173 1.00 0.00 C ATOM 966 C VAL A 61 14.474 -2.211 -0.173 1.00 0.00 C ATOM 967 O VAL A 61 13.576 -2.982 -0.519 1.00 0.00 O ATOM 968 CB VAL A 61 14.865 -1.006 -2.372 1.00 0.00 C ATOM 969 CG1 VAL A 61 14.065 0.224 -1.917 1.00 0.00 C ATOM 970 CG2 VAL A 61 15.909 -0.517 -3.387 1.00 0.00 C ATOM 0 H VAL A 61 16.222 -3.072 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 61 16.172 -0.992 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 61 14.205 -1.742 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.609 0.702 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.285 -0.086 -1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.733 0.930 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.405 -0.021 -4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.587 0.186 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.477 -1.368 -3.763 1.00 0.00 H new ATOM 980 N ALA A 62 14.573 -1.743 1.076 1.00 0.00 N ATOM 981 CA ALA A 62 13.669 -2.057 2.190 1.00 0.00 C ATOM 982 C ALA A 62 12.186 -1.915 1.798 1.00 0.00 C ATOM 983 O ALA A 62 11.367 -2.820 1.984 1.00 0.00 O ATOM 984 CB ALA A 62 14.046 -1.130 3.357 1.00 0.00 C ATOM 0 H ALA A 62 15.320 -1.105 1.351 1.00 0.00 H new ATOM 0 HA ALA A 62 13.786 -3.101 2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.395 -1.333 4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.083 -1.308 3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.928 -0.091 3.049 1.00 0.00 H new ATOM 990 N HIS A 63 11.850 -0.752 1.233 1.00 0.00 N ATOM 991 CA HIS A 63 10.509 -0.390 0.776 1.00 0.00 C ATOM 992 C HIS A 63 9.952 -1.325 -0.310 1.00 0.00 C ATOM 993 O HIS A 63 8.794 -1.714 -0.185 1.00 0.00 O ATOM 994 CB HIS A 63 10.494 1.078 0.340 1.00 0.00 C ATOM 995 CG HIS A 63 11.016 2.053 1.371 1.00 0.00 C ATOM 996 ND1 HIS A 63 10.750 2.034 2.731 1.00 0.00 N ATOM 997 CD2 HIS A 63 11.837 3.116 1.114 1.00 0.00 C ATOM 998 CE1 HIS A 63 11.412 3.069 3.292 1.00 0.00 C ATOM 999 NE2 HIS A 63 12.077 3.742 2.327 1.00 0.00 N ATOM 0 H HIS A 63 12.532 -0.010 1.076 1.00 0.00 H new ATOM 0 HA HIS A 63 9.831 -0.518 1.620 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.089 1.178 -0.568 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.472 1.355 0.084 1.00 0.00 H new ATOM 0 HD2 HIS A 63 12.224 3.411 0.150 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.410 3.319 4.343 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.657 4.569 2.467 1.00 0.00 H new ATOM 1008 N CYS A 64 10.726 -1.705 -1.336 1.00 0.00 N ATOM 1009 CA CYS A 64 10.307 -2.636 -2.400 1.00 0.00 C ATOM 1010 C CYS A 64 9.831 -3.971 -1.786 1.00 0.00 C ATOM 1011 O CYS A 64 8.686 -4.397 -1.968 1.00 0.00 O ATOM 1012 CB CYS A 64 11.472 -2.823 -3.392 1.00 0.00 C ATOM 1013 SG CYS A 64 11.021 -3.919 -4.781 1.00 0.00 S ATOM 0 H CYS A 64 11.681 -1.368 -1.454 1.00 0.00 H new ATOM 0 HA CYS A 64 9.460 -2.226 -2.950 1.00 0.00 H new ATOM 0 HB2 CYS A 64 11.776 -1.851 -3.781 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.332 -3.239 -2.867 1.00 0.00 H new ATOM 0 HG CYS A 64 11.263 -3.315 -5.907 1.00 0.00 H new ATOM 1018 N ALA A 65 10.700 -4.600 -0.988 1.00 0.00 N ATOM 1019 CA ALA A 65 10.428 -5.834 -0.259 1.00 0.00 C ATOM 1020 C ALA A 65 9.136 -5.750 0.589 1.00 0.00 C ATOM 1021 O ALA A 65 8.310 -6.667 0.569 1.00 0.00 O ATOM 1022 CB ALA A 65 11.668 -6.153 0.587 1.00 0.00 C ATOM 0 H ALA A 65 11.644 -4.248 -0.829 1.00 0.00 H new ATOM 0 HA ALA A 65 10.241 -6.646 -0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.499 -7.073 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.531 -6.279 -0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.855 -5.334 1.282 1.00 0.00 H new ATOM 1028 N SER A 66 8.965 -4.650 1.331 1.00 0.00 N ATOM 1029 CA SER A 66 7.814 -4.372 2.209 1.00 0.00 C ATOM 1030 C SER A 66 6.501 -4.106 1.457 1.00 0.00 C ATOM 1031 O SER A 66 5.515 -4.807 1.679 1.00 0.00 O ATOM 1032 CB SER A 66 8.113 -3.173 3.116 1.00 0.00 C ATOM 1033 OG SER A 66 9.304 -3.384 3.840 1.00 0.00 O ATOM 0 H SER A 66 9.651 -3.895 1.339 1.00 0.00 H new ATOM 0 HA SER A 66 7.670 -5.281 2.794 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.202 -2.268 2.515 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.284 -3.017 3.806 1.00 0.00 H new ATOM 0 HG SER A 66 10.074 -3.194 3.265 1.00 0.00 H new ATOM 1039 N SER A 67 6.466 -3.089 0.587 1.00 0.00 N ATOM 1040 CA SER A 67 5.305 -2.636 -0.205 1.00 0.00 C ATOM 1041 C SER A 67 4.596 -3.773 -0.944 1.00 0.00 C ATOM 1042 O SER A 67 3.380 -3.919 -0.826 1.00 0.00 O ATOM 1043 CB SER A 67 5.684 -1.491 -1.155 1.00 0.00 C ATOM 1044 OG SER A 67 6.783 -1.821 -1.973 1.00 0.00 O ATOM 0 H SER A 67 7.295 -2.524 0.403 1.00 0.00 H new ATOM 0 HA SER A 67 4.581 -2.250 0.513 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.828 -1.243 -1.782 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.921 -0.601 -0.572 1.00 0.00 H new ATOM 0 HG SER A 67 7.615 -1.679 -1.476 1.00 0.00 H new ATOM 1050 N ARG A 68 5.332 -4.622 -1.662 1.00 0.00 N ATOM 1051 CA ARG A 68 4.775 -5.820 -2.314 1.00 0.00 C ATOM 1052 C ARG A 68 3.972 -6.656 -1.315 1.00 0.00 C ATOM 1053 O ARG A 68 2.815 -6.974 -1.574 1.00 0.00 O ATOM 1054 CB ARG A 68 5.894 -6.655 -2.940 1.00 0.00 C ATOM 1055 CG ARG A 68 6.608 -5.912 -4.071 1.00 0.00 C ATOM 1056 CD ARG A 68 7.857 -6.698 -4.474 1.00 0.00 C ATOM 1057 NE ARG A 68 8.716 -5.916 -5.365 1.00 0.00 N ATOM 1058 CZ ARG A 68 8.536 -5.633 -6.631 1.00 0.00 C ATOM 1059 NH1 ARG A 68 7.517 -6.036 -7.336 1.00 0.00 N ATOM 1060 NH2 ARG A 68 9.405 -4.908 -7.228 1.00 0.00 N ATOM 0 H ARG A 68 6.334 -4.503 -1.811 1.00 0.00 H new ATOM 0 HA ARG A 68 4.100 -5.498 -3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.618 -6.924 -2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.478 -7.586 -3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.942 -5.799 -4.926 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.883 -4.908 -3.747 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.416 -6.979 -3.581 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.562 -7.623 -4.970 1.00 0.00 H new ATOM 0 HE ARG A 68 9.567 -5.542 -4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.794 -6.611 -6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.443 -5.776 -8.320 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.218 -4.563 -6.718 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.285 -4.675 -8.214 1.00 0.00 H new ATOM 1074 N GLN A 69 4.568 -6.984 -0.167 1.00 0.00 N ATOM 1075 CA GLN A 69 3.974 -7.758 0.931 1.00 0.00 C ATOM 1076 C GLN A 69 2.637 -7.167 1.416 1.00 0.00 C ATOM 1077 O GLN A 69 1.635 -7.881 1.431 1.00 0.00 O ATOM 1078 CB GLN A 69 4.995 -7.888 2.079 1.00 0.00 C ATOM 1079 CG GLN A 69 5.028 -9.270 2.744 1.00 0.00 C ATOM 1080 CD GLN A 69 3.793 -9.708 3.537 1.00 0.00 C ATOM 1081 OE1 GLN A 69 3.491 -10.887 3.614 1.00 0.00 O ATOM 1082 NE2 GLN A 69 3.052 -8.834 4.185 1.00 0.00 N ATOM 0 H GLN A 69 5.528 -6.704 0.035 1.00 0.00 H new ATOM 0 HA GLN A 69 3.735 -8.753 0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.989 -7.660 1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.768 -7.139 2.837 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.208 -10.012 1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.886 -9.298 3.416 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.279 -7.841 4.140 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.251 -9.150 4.732 1.00 0.00 H new ATOM 1091 N ILE A 70 2.596 -5.882 1.806 1.00 0.00 N ATOM 1092 CA ILE A 70 1.354 -5.226 2.265 1.00 0.00 C ATOM 1093 C ILE A 70 0.216 -5.313 1.233 1.00 0.00 C ATOM 1094 O ILE A 70 -0.918 -5.623 1.604 1.00 0.00 O ATOM 1095 CB ILE A 70 1.544 -3.780 2.803 1.00 0.00 C ATOM 1096 CG1 ILE A 70 2.615 -2.925 2.110 1.00 0.00 C ATOM 1097 CG2 ILE A 70 1.784 -3.831 4.319 1.00 0.00 C ATOM 1098 CD1 ILE A 70 2.725 -1.464 2.572 1.00 0.00 C ATOM 0 H ILE A 70 3.413 -5.271 1.813 1.00 0.00 H new ATOM 0 HA ILE A 70 1.049 -5.812 3.132 1.00 0.00 H new ATOM 0 HB ILE A 70 0.615 -3.263 2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.583 -3.404 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.416 -2.931 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.918 -2.819 4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.926 -4.293 4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.679 -4.418 4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.514 -0.963 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.777 -0.955 2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.962 -1.436 3.636 1.00 0.00 H new ATOM 1110 N ILE A 71 0.495 -5.082 -0.055 1.00 0.00 N ATOM 1111 CA ILE A 71 -0.514 -5.191 -1.126 1.00 0.00 C ATOM 1112 C ILE A 71 -0.932 -6.648 -1.360 1.00 0.00 C ATOM 1113 O ILE A 71 -2.122 -6.927 -1.513 1.00 0.00 O ATOM 1114 CB ILE A 71 -0.048 -4.473 -2.408 1.00 0.00 C ATOM 1115 CG1 ILE A 71 0.292 -2.994 -2.119 1.00 0.00 C ATOM 1116 CG2 ILE A 71 -1.110 -4.536 -3.518 1.00 0.00 C ATOM 1117 CD1 ILE A 71 -0.715 -2.254 -1.221 1.00 0.00 C ATOM 0 H ILE A 71 1.421 -4.815 -0.388 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.416 -4.673 -0.800 1.00 0.00 H new ATOM 0 HB ILE A 71 0.846 -4.994 -2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.275 -2.949 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.367 -2.463 -3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.742 -4.018 -4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.316 -5.577 -3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.026 -4.057 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.387 -1.224 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.697 -2.260 -1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.775 -2.753 -0.254 1.00 0.00 H new ATOM 1129 N SER A 72 0.027 -7.579 -1.328 1.00 0.00 N ATOM 1130 CA SER A 72 -0.219 -9.027 -1.414 1.00 0.00 C ATOM 1131 C SER A 72 -1.227 -9.447 -0.344 1.00 0.00 C ATOM 1132 O SER A 72 -2.226 -10.096 -0.658 1.00 0.00 O ATOM 1133 CB SER A 72 1.067 -9.843 -1.238 1.00 0.00 C ATOM 1134 OG SER A 72 2.078 -9.442 -2.136 1.00 0.00 O ATOM 0 H SER A 72 1.016 -7.345 -1.240 1.00 0.00 H new ATOM 0 HA SER A 72 -0.614 -9.229 -2.410 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.428 -9.734 -0.215 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.848 -10.900 -1.388 1.00 0.00 H new ATOM 0 HG SER A 72 2.464 -8.593 -1.836 1.00 0.00 H new ATOM 1140 N HIS A 73 -0.989 -9.041 0.912 1.00 0.00 N ATOM 1141 CA HIS A 73 -1.894 -9.291 2.031 1.00 0.00 C ATOM 1142 C HIS A 73 -3.269 -8.685 1.732 1.00 0.00 C ATOM 1143 O HIS A 73 -4.242 -9.432 1.683 1.00 0.00 O ATOM 1144 CB HIS A 73 -1.321 -8.772 3.362 1.00 0.00 C ATOM 1145 CG HIS A 73 -2.152 -9.175 4.567 1.00 0.00 C ATOM 1146 ND1 HIS A 73 -1.742 -10.016 5.578 1.00 0.00 N ATOM 1147 CD2 HIS A 73 -3.448 -8.811 4.847 1.00 0.00 C ATOM 1148 CE1 HIS A 73 -2.775 -10.173 6.429 1.00 0.00 C ATOM 1149 NE2 HIS A 73 -3.842 -9.457 6.028 1.00 0.00 N ATOM 0 H HIS A 73 -0.151 -8.524 1.177 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.007 -10.369 2.146 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.306 -9.150 3.485 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.254 -7.685 3.322 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -0.820 -10.444 5.667 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.058 -8.142 4.258 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.750 -10.791 7.315 1.00 0.00 H new ATOM 1157 N TRP A 74 -3.365 -7.362 1.533 1.00 0.00 N ATOM 1158 CA TRP A 74 -4.644 -6.678 1.306 1.00 0.00 C ATOM 1159 C TRP A 74 -5.520 -7.300 0.205 1.00 0.00 C ATOM 1160 O TRP A 74 -6.726 -7.466 0.409 1.00 0.00 O ATOM 1161 CB TRP A 74 -4.456 -5.166 1.102 1.00 0.00 C ATOM 1162 CG TRP A 74 -5.722 -4.383 1.312 1.00 0.00 C ATOM 1163 CD1 TRP A 74 -6.527 -4.524 2.390 1.00 0.00 C ATOM 1164 CD2 TRP A 74 -6.368 -3.373 0.469 1.00 0.00 C ATOM 1165 NE1 TRP A 74 -7.641 -3.724 2.256 1.00 0.00 N ATOM 1166 CE2 TRP A 74 -7.587 -2.981 1.104 1.00 0.00 C ATOM 1167 CE3 TRP A 74 -6.061 -2.732 -0.755 1.00 0.00 C ATOM 1168 CZ2 TRP A 74 -8.452 -2.023 0.566 1.00 0.00 C ATOM 1169 CZ3 TRP A 74 -6.912 -1.740 -1.287 1.00 0.00 C ATOM 1170 CH2 TRP A 74 -8.105 -1.384 -0.627 1.00 0.00 C ATOM 0 H TRP A 74 -2.558 -6.738 1.525 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.207 -6.828 2.227 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.693 -4.804 1.791 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.086 -4.984 0.093 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.326 -5.169 3.232 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.408 -3.689 2.928 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.163 -3.006 -1.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.377 -1.780 1.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.646 -1.248 -2.211 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.748 -0.621 -1.041 1.00 0.00 H new ATOM 1181 N LYS A 75 -4.946 -7.664 -0.955 1.00 0.00 N ATOM 1182 CA LYS A 75 -5.698 -8.311 -2.046 1.00 0.00 C ATOM 1183 C LYS A 75 -6.215 -9.704 -1.648 1.00 0.00 C ATOM 1184 O LYS A 75 -7.397 -9.996 -1.842 1.00 0.00 O ATOM 1185 CB LYS A 75 -4.881 -8.343 -3.352 1.00 0.00 C ATOM 1186 CG LYS A 75 -5.790 -8.797 -4.509 1.00 0.00 C ATOM 1187 CD LYS A 75 -5.160 -8.636 -5.898 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.211 -9.006 -6.955 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.800 -8.610 -8.326 1.00 0.00 N ATOM 0 H LYS A 75 -3.958 -7.520 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.580 -7.700 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.471 -7.355 -3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.036 -9.024 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.054 -9.844 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.718 -8.226 -4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.821 -7.610 -6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.284 -9.278 -5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.386 -10.081 -6.928 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.156 -8.522 -6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.588 -8.772 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.543 -7.602 -8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.980 -9.178 -8.620 1.00 0.00 H new ATOM 1203 N ASN A 76 -5.347 -10.569 -1.116 1.00 0.00 N ATOM 1204 CA ASN A 76 -5.691 -11.931 -0.686 1.00 0.00 C ATOM 1205 C ASN A 76 -6.695 -11.964 0.484 1.00 0.00 C ATOM 1206 O ASN A 76 -7.634 -12.766 0.465 1.00 0.00 O ATOM 1207 CB ASN A 76 -4.409 -12.707 -0.335 1.00 0.00 C ATOM 1208 CG ASN A 76 -3.694 -13.260 -1.562 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -3.546 -12.615 -2.591 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -3.241 -14.492 -1.500 1.00 0.00 N ATOM 0 H ASN A 76 -4.364 -10.339 -0.968 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.193 -12.415 -1.523 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.730 -12.050 0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.660 -13.530 0.334 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.770 -14.903 -2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.360 -15.037 -0.646 1.00 0.00 H new ATOM 1217 N CYS A 77 -6.485 -11.133 1.506 1.00 0.00 N ATOM 1218 CA CYS A 77 -7.302 -11.057 2.711 1.00 0.00 C ATOM 1219 C CYS A 77 -8.763 -10.660 2.413 1.00 0.00 C ATOM 1220 O CYS A 77 -9.066 -9.640 1.784 1.00 0.00 O ATOM 1221 CB CYS A 77 -6.620 -10.115 3.715 1.00 0.00 C ATOM 1222 SG CYS A 77 -7.270 -10.342 5.402 1.00 0.00 S ATOM 0 H CYS A 77 -5.710 -10.470 1.514 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.372 -12.050 3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.545 -10.296 3.712 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -6.770 -9.081 3.403 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.619 -9.574 6.225 1.00 0.00 H new ATOM 1227 N THR A 78 -9.673 -11.511 2.888 1.00 0.00 N ATOM 1228 CA THR A 78 -11.142 -11.399 2.796 1.00 0.00 C ATOM 1229 C THR A 78 -11.795 -11.685 4.159 1.00 0.00 C ATOM 1230 O THR A 78 -12.988 -11.987 4.260 1.00 0.00 O ATOM 1231 CB THR A 78 -11.703 -12.323 1.693 1.00 0.00 C ATOM 1232 OG1 THR A 78 -11.157 -13.627 1.777 1.00 0.00 O ATOM 1233 CG2 THR A 78 -11.408 -11.784 0.292 1.00 0.00 C ATOM 0 H THR A 78 -9.391 -12.357 3.382 1.00 0.00 H new ATOM 0 HA THR A 78 -11.389 -10.375 2.517 1.00 0.00 H new ATOM 0 HB THR A 78 -12.780 -12.357 1.856 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.534 -14.186 1.066 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.820 -12.464 -0.454 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.864 -10.801 0.177 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.330 -11.703 0.153 1.00 0.00 H new ATOM 1241 N ARG A 79 -11.007 -11.550 5.235 1.00 0.00 N ATOM 1242 CA ARG A 79 -11.375 -11.732 6.645 1.00 0.00 C ATOM 1243 C ARG A 79 -12.399 -10.678 7.080 1.00 0.00 C ATOM 1244 O ARG A 79 -12.260 -9.492 6.769 1.00 0.00 O ATOM 1245 CB ARG A 79 -10.081 -11.608 7.466 1.00 0.00 C ATOM 1246 CG ARG A 79 -10.154 -12.153 8.901 1.00 0.00 C ATOM 1247 CD ARG A 79 -8.979 -11.713 9.804 1.00 0.00 C ATOM 1248 NE ARG A 79 -7.732 -11.412 9.074 1.00 0.00 N ATOM 1249 CZ ARG A 79 -6.823 -12.229 8.592 1.00 0.00 C ATOM 1250 NH1 ARG A 79 -6.833 -13.517 8.802 1.00 0.00 N ATOM 1251 NH2 ARG A 79 -5.870 -11.750 7.866 1.00 0.00 N ATOM 0 H ARG A 79 -10.025 -11.292 5.135 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.838 -12.706 6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.284 -12.131 6.937 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.798 -10.556 7.509 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.089 -11.826 9.355 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.181 -13.242 8.864 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.279 -10.829 10.366 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.780 -12.501 10.531 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.548 -10.420 8.921 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.573 -13.936 9.365 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.101 -14.105 8.403 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.829 -10.749 7.673 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.157 -12.372 7.485 1.00 0.00 H new ATOM 1265 N HIS A 80 -13.421 -11.100 7.826 1.00 0.00 N ATOM 1266 CA HIS A 80 -14.488 -10.224 8.339 1.00 0.00 C ATOM 1267 C HIS A 80 -14.047 -9.257 9.458 1.00 0.00 C ATOM 1268 O HIS A 80 -14.835 -8.394 9.843 1.00 0.00 O ATOM 1269 CB HIS A 80 -15.694 -11.081 8.765 1.00 0.00 C ATOM 1270 CG HIS A 80 -15.443 -11.961 9.967 1.00 0.00 C ATOM 1271 ND1 HIS A 80 -15.085 -13.299 9.941 1.00 0.00 N ATOM 1272 CD2 HIS A 80 -15.553 -11.573 11.273 1.00 0.00 C ATOM 1273 CE1 HIS A 80 -14.963 -13.710 11.221 1.00 0.00 C ATOM 1274 NE2 HIS A 80 -15.241 -12.678 12.047 1.00 0.00 N ATOM 0 H HIS A 80 -13.537 -12.076 8.098 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.773 -9.565 7.519 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -16.534 -10.421 8.982 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.992 -11.710 7.926 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -15.830 -10.593 11.632 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -14.687 -14.706 11.535 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -15.224 -12.708 13.066 1.00 0.00 H new ATOM 1283 N ASP A 81 -12.835 -9.400 10.008 1.00 0.00 N ATOM 1284 CA ASP A 81 -12.323 -8.574 11.116 1.00 0.00 C ATOM 1285 C ASP A 81 -10.793 -8.319 11.133 1.00 0.00 C ATOM 1286 O ASP A 81 -10.239 -8.067 12.209 1.00 0.00 O ATOM 1287 CB ASP A 81 -12.801 -9.181 12.454 1.00 0.00 C ATOM 1288 CG ASP A 81 -12.012 -10.425 12.917 1.00 0.00 C ATOM 1289 OD1 ASP A 81 -11.646 -11.280 12.075 1.00 0.00 O ATOM 1290 OD2 ASP A 81 -11.792 -10.571 14.145 1.00 0.00 O ATOM 0 H ASP A 81 -12.168 -10.105 9.692 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.739 -7.579 10.958 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.735 -8.417 13.228 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.853 -9.449 12.360 1.00 0.00 H new ATOM 1295 N CYS A 82 -10.095 -8.321 9.984 1.00 0.00 N ATOM 1296 CA CYS A 82 -8.653 -8.005 9.964 1.00 0.00 C ATOM 1297 C CYS A 82 -8.485 -6.528 10.415 1.00 0.00 C ATOM 1298 O CYS A 82 -9.265 -5.674 9.969 1.00 0.00 O ATOM 1299 CB CYS A 82 -8.072 -8.220 8.555 1.00 0.00 C ATOM 1300 SG CYS A 82 -6.323 -8.732 8.548 1.00 0.00 S ATOM 0 H CYS A 82 -10.496 -8.534 9.071 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.110 -8.665 10.640 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -8.664 -8.977 8.040 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.172 -7.295 7.986 1.00 0.00 H new ATOM 0 HG CYS A 82 -5.732 -8.242 7.499 1.00 0.00 H new ATOM 1305 N PRO A 83 -7.519 -6.181 11.285 1.00 0.00 N ATOM 1306 CA PRO A 83 -7.344 -4.824 11.822 1.00 0.00 C ATOM 1307 C PRO A 83 -7.063 -3.709 10.798 1.00 0.00 C ATOM 1308 O PRO A 83 -7.045 -2.537 11.185 1.00 0.00 O ATOM 1309 CB PRO A 83 -6.215 -4.941 12.855 1.00 0.00 C ATOM 1310 CG PRO A 83 -5.432 -6.160 12.377 1.00 0.00 C ATOM 1311 CD PRO A 83 -6.539 -7.076 11.875 1.00 0.00 C ATOM 0 HA PRO A 83 -8.293 -4.497 12.246 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.594 -4.046 12.876 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.604 -5.082 13.863 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.725 -5.906 11.588 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.859 -6.618 13.183 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.161 -7.788 11.142 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.972 -7.656 12.689 1.00 0.00 H new ATOM 1319 N VAL A 84 -6.851 -4.030 9.515 1.00 0.00 N ATOM 1320 CA VAL A 84 -6.561 -3.048 8.453 1.00 0.00 C ATOM 1321 C VAL A 84 -7.470 -3.276 7.243 1.00 0.00 C ATOM 1322 O VAL A 84 -8.136 -2.348 6.781 1.00 0.00 O ATOM 1323 CB VAL A 84 -5.082 -3.058 8.012 1.00 0.00 C ATOM 1324 CG1 VAL A 84 -4.708 -1.640 7.560 1.00 0.00 C ATOM 1325 CG2 VAL A 84 -4.117 -3.523 9.104 1.00 0.00 C ATOM 0 H VAL A 84 -6.876 -4.992 9.177 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.762 -2.065 8.880 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.986 -3.779 7.200 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.665 -1.622 7.243 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.345 -1.344 6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.847 -0.945 8.388 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.097 -3.504 8.720 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.194 -2.858 9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.372 -4.539 9.406 1.00 0.00 H new ATOM 1335 N CYS A 85 -7.508 -4.504 6.729 1.00 0.00 N ATOM 1336 CA CYS A 85 -8.296 -4.926 5.584 1.00 0.00 C ATOM 1337 C CYS A 85 -9.793 -4.597 5.748 1.00 0.00 C ATOM 1338 O CYS A 85 -10.396 -4.030 4.833 1.00 0.00 O ATOM 1339 CB CYS A 85 -8.019 -6.421 5.337 1.00 0.00 C ATOM 1340 SG CYS A 85 -6.239 -6.824 5.506 1.00 0.00 S ATOM 0 H CYS A 85 -6.959 -5.268 7.124 1.00 0.00 H new ATOM 0 HA CYS A 85 -7.996 -4.364 4.699 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.595 -7.018 6.044 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.359 -6.693 4.338 1.00 0.00 H new ATOM 0 HG CYS A 85 -5.653 -6.694 4.353 1.00 0.00 H new ATOM 1345 N LEU A 86 -10.382 -4.914 6.913 1.00 0.00 N ATOM 1346 CA LEU A 86 -11.781 -4.623 7.239 1.00 0.00 C ATOM 1347 C LEU A 86 -12.101 -3.115 7.127 1.00 0.00 C ATOM 1348 O LEU A 86 -12.937 -2.779 6.285 1.00 0.00 O ATOM 1349 CB LEU A 86 -12.173 -5.273 8.586 1.00 0.00 C ATOM 1350 CG LEU A 86 -13.666 -5.251 8.977 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -14.193 -3.883 9.412 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -14.556 -5.795 7.861 1.00 0.00 C ATOM 0 H LEU A 86 -9.886 -5.389 7.667 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.423 -5.087 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -11.845 -6.312 8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.610 -4.776 9.376 1.00 0.00 H new ATOM 0 HG LEU A 86 -13.716 -5.904 9.848 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.250 -3.965 9.667 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.635 -3.538 10.282 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.071 -3.170 8.597 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.598 -5.762 8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.429 -5.187 6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.276 -6.826 7.642 1.00 0.00 H new ATOM 1364 N PRO A 87 -11.490 -2.193 7.908 1.00 0.00 N ATOM 1365 CA PRO A 87 -11.794 -0.766 7.797 1.00 0.00 C ATOM 1366 C PRO A 87 -11.538 -0.188 6.392 1.00 0.00 C ATOM 1367 O PRO A 87 -12.332 0.622 5.914 1.00 0.00 O ATOM 1368 CB PRO A 87 -11.005 -0.059 8.905 1.00 0.00 C ATOM 1369 CG PRO A 87 -9.883 -1.036 9.249 1.00 0.00 C ATOM 1370 CD PRO A 87 -10.510 -2.403 8.967 1.00 0.00 C ATOM 0 HA PRO A 87 -12.862 -0.599 7.933 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.609 0.898 8.564 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.633 0.147 9.772 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -8.998 -0.865 8.636 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.573 -0.942 10.290 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.752 -3.122 8.658 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -10.985 -2.805 9.862 1.00 0.00 H new ATOM 1378 N LEU A 88 -10.474 -0.606 5.697 1.00 0.00 N ATOM 1379 CA LEU A 88 -10.206 -0.181 4.313 1.00 0.00 C ATOM 1380 C LEU A 88 -11.336 -0.598 3.352 1.00 0.00 C ATOM 1381 O LEU A 88 -11.730 0.200 2.498 1.00 0.00 O ATOM 1382 CB LEU A 88 -8.833 -0.686 3.870 1.00 0.00 C ATOM 1383 CG LEU A 88 -7.659 0.022 4.571 1.00 0.00 C ATOM 1384 CD1 LEU A 88 -6.385 -0.712 4.186 1.00 0.00 C ATOM 1385 CD2 LEU A 88 -7.513 1.488 4.144 1.00 0.00 C ATOM 0 H LEU A 88 -9.775 -1.246 6.074 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.185 0.908 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.769 -1.757 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.736 -0.552 2.793 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.845 0.008 5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.531 -0.235 4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.451 -1.750 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.258 -0.678 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.670 1.938 4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.339 1.538 3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.425 2.031 4.390 1.00 0.00 H new ATOM 1397 N LYS A 89 -11.892 -1.811 3.505 1.00 0.00 N ATOM 1398 CA LYS A 89 -13.064 -2.294 2.752 1.00 0.00 C ATOM 1399 C LYS A 89 -14.285 -1.432 3.107 1.00 0.00 C ATOM 1400 O LYS A 89 -14.871 -0.793 2.231 1.00 0.00 O ATOM 1401 CB LYS A 89 -13.260 -3.804 3.008 1.00 0.00 C ATOM 1402 CG LYS A 89 -14.300 -4.491 2.101 1.00 0.00 C ATOM 1403 CD LYS A 89 -15.780 -4.318 2.495 1.00 0.00 C ATOM 1404 CE LYS A 89 -16.145 -4.844 3.893 1.00 0.00 C ATOM 1405 NZ LYS A 89 -16.010 -6.324 3.995 1.00 0.00 N ATOM 0 H LYS A 89 -11.533 -2.498 4.168 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.914 -2.188 1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.301 -4.306 2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.557 -3.945 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.171 -4.113 1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.077 -5.558 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.033 -3.259 2.444 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -16.399 -4.829 1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.502 -4.371 4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.170 -4.558 4.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.267 -6.631 4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.642 -6.779 3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.027 -6.597 3.796 1.00 0.00 H new ATOM 1731 N GLY B 114 8.933 7.670 11.974 1.00 0.00 N ATOM 1732 CA GLY B 114 8.665 8.347 10.698 1.00 0.00 C ATOM 1733 C GLY B 114 8.429 7.274 9.641 1.00 0.00 C ATOM 1734 O GLY B 114 7.457 6.525 9.738 1.00 0.00 O ATOM 0 HA2 GLY B 114 7.793 8.995 10.785 1.00 0.00 H new ATOM 0 HA3 GLY B 114 9.506 8.981 10.418 1.00 0.00 H new ATOM 1738 N LEU B 115 9.348 7.146 8.682 1.00 0.00 N ATOM 1739 CA LEU B 115 9.342 6.079 7.677 1.00 0.00 C ATOM 1740 C LEU B 115 10.321 4.975 8.126 1.00 0.00 C ATOM 1741 O LEU B 115 11.524 5.243 8.235 1.00 0.00 O ATOM 1742 CB LEU B 115 9.706 6.634 6.289 1.00 0.00 C ATOM 1743 CG LEU B 115 8.572 7.433 5.623 1.00 0.00 C ATOM 1744 CD1 LEU B 115 9.048 7.956 4.269 1.00 0.00 C ATOM 1745 CD2 LEU B 115 7.338 6.566 5.369 1.00 0.00 C ATOM 0 H LEU B 115 10.131 7.792 8.579 1.00 0.00 H new ATOM 0 HA LEU B 115 8.342 5.653 7.592 1.00 0.00 H new ATOM 0 HB2 LEU B 115 10.583 7.275 6.383 1.00 0.00 H new ATOM 0 HB3 LEU B 115 9.985 5.805 5.638 1.00 0.00 H new ATOM 0 HG LEU B 115 8.308 8.246 6.300 1.00 0.00 H new ATOM 0 HD11 LEU B 115 8.246 8.522 3.795 1.00 0.00 H new ATOM 0 HD12 LEU B 115 9.913 8.603 4.413 1.00 0.00 H new ATOM 0 HD13 LEU B 115 9.325 7.116 3.631 1.00 0.00 H new ATOM 0 HD21 LEU B 115 6.561 7.168 4.898 1.00 0.00 H new ATOM 0 HD22 LEU B 115 7.604 5.738 4.712 1.00 0.00 H new ATOM 0 HD23 LEU B 115 6.968 6.173 6.316 1.00 0.00 H new ATOM 1757 N PRO B 116 9.842 3.750 8.415 1.00 0.00 N ATOM 1758 CA PRO B 116 10.682 2.656 8.897 1.00 0.00 C ATOM 1759 C PRO B 116 11.453 1.951 7.774 1.00 0.00 C ATOM 1760 O PRO B 116 11.213 2.164 6.582 1.00 0.00 O ATOM 1761 CB PRO B 116 9.688 1.688 9.549 1.00 0.00 C ATOM 1762 CG PRO B 116 8.464 1.816 8.643 1.00 0.00 C ATOM 1763 CD PRO B 116 8.452 3.311 8.331 1.00 0.00 C ATOM 0 HA PRO B 116 11.452 3.022 9.577 1.00 0.00 H new ATOM 0 HB2 PRO B 116 10.071 0.668 9.573 1.00 0.00 H new ATOM 0 HB3 PRO B 116 9.463 1.969 10.578 1.00 0.00 H new ATOM 0 HG2 PRO B 116 8.560 1.212 7.741 1.00 0.00 H new ATOM 0 HG3 PRO B 116 7.550 1.497 9.145 1.00 0.00 H new ATOM 0 HD2 PRO B 116 8.043 3.499 7.339 1.00 0.00 H new ATOM 0 HD3 PRO B 116 7.828 3.853 9.041 1.00 0.00 H new ATOM 1771 N GLN B 117 12.332 1.031 8.176 1.00 0.00 N ATOM 1772 CA GLN B 117 13.074 0.133 7.289 1.00 0.00 C ATOM 1773 C GLN B 117 12.612 -1.305 7.549 1.00 0.00 C ATOM 1774 O GLN B 117 13.364 -2.170 8.004 1.00 0.00 O ATOM 1775 CB GLN B 117 14.592 0.337 7.424 1.00 0.00 C ATOM 1776 CG GLN B 117 15.033 1.614 6.702 1.00 0.00 C ATOM 1777 CD GLN B 117 16.531 1.864 6.856 1.00 0.00 C ATOM 1778 OE1 GLN B 117 17.338 1.552 5.988 1.00 0.00 O ATOM 1779 NE2 GLN B 117 16.968 2.432 7.963 1.00 0.00 N ATOM 0 H GLN B 117 12.554 0.886 9.161 1.00 0.00 H new ATOM 0 HA GLN B 117 12.858 0.365 6.246 1.00 0.00 H new ATOM 0 HB2 GLN B 117 14.864 0.397 8.478 1.00 0.00 H new ATOM 0 HB3 GLN B 117 15.118 -0.522 7.008 1.00 0.00 H new ATOM 0 HG2 GLN B 117 14.784 1.537 5.644 1.00 0.00 H new ATOM 0 HG3 GLN B 117 14.480 2.465 7.099 1.00 0.00 H new ATOM 0 HE21 GLN B 117 16.309 2.697 8.695 1.00 0.00 H new ATOM 0 HE22 GLN B 117 17.965 2.606 8.088 1.00 0.00 H new ATOM 1788 N LEU B 118 11.341 -1.545 7.212 1.00 0.00 N ATOM 1789 CA LEU B 118 10.717 -2.868 7.237 1.00 0.00 C ATOM 1790 C LEU B 118 11.327 -3.715 6.101 1.00 0.00 C ATOM 1791 O LEU B 118 12.046 -3.209 5.231 1.00 0.00 O ATOM 1792 CB LEU B 118 9.189 -2.723 7.059 1.00 0.00 C ATOM 1793 CG LEU B 118 8.442 -2.060 8.231 1.00 0.00 C ATOM 1794 CD1 LEU B 118 7.026 -1.689 7.788 1.00 0.00 C ATOM 1795 CD2 LEU B 118 8.337 -2.977 9.452 1.00 0.00 C ATOM 0 H LEU B 118 10.705 -0.808 6.908 1.00 0.00 H new ATOM 0 HA LEU B 118 10.900 -3.361 8.191 1.00 0.00 H new ATOM 0 HB2 LEU B 118 9.000 -2.142 6.156 1.00 0.00 H new ATOM 0 HB3 LEU B 118 8.765 -3.714 6.895 1.00 0.00 H new ATOM 0 HG LEU B 118 9.014 -1.177 8.515 1.00 0.00 H new ATOM 0 HD11 LEU B 118 6.497 -1.220 8.617 1.00 0.00 H new ATOM 0 HD12 LEU B 118 7.077 -0.994 6.950 1.00 0.00 H new ATOM 0 HD13 LEU B 118 6.493 -2.589 7.480 1.00 0.00 H new ATOM 0 HD21 LEU B 118 7.802 -2.461 10.249 1.00 0.00 H new ATOM 0 HD22 LEU B 118 7.797 -3.884 9.180 1.00 0.00 H new ATOM 0 HD23 LEU B 118 9.337 -3.239 9.797 1.00 0.00 H new ATOM 1807 N THR B 119 11.040 -5.010 6.093 1.00 0.00 N ATOM 1808 CA THR B 119 11.512 -5.953 5.070 1.00 0.00 C ATOM 1809 C THR B 119 10.406 -6.934 4.694 1.00 0.00 C ATOM 1810 O THR B 119 9.388 -7.035 5.388 1.00 0.00 O ATOM 1811 CB THR B 119 12.759 -6.726 5.543 1.00 0.00 C ATOM 1812 OG1 THR B 119 12.458 -7.518 6.677 1.00 0.00 O ATOM 1813 CG2 THR B 119 13.939 -5.808 5.885 1.00 0.00 C ATOM 0 H THR B 119 10.462 -5.450 6.809 1.00 0.00 H new ATOM 0 HA THR B 119 11.788 -5.369 4.192 1.00 0.00 H new ATOM 0 HB THR B 119 13.054 -7.358 4.705 1.00 0.00 H new ATOM 0 HG1 THR B 119 13.262 -8.002 6.961 1.00 0.00 H new ATOM 0 HG21 THR B 119 14.786 -6.411 6.211 1.00 0.00 H new ATOM 0 HG22 THR B 119 14.221 -5.234 5.003 1.00 0.00 H new ATOM 0 HG23 THR B 119 13.650 -5.126 6.685 1.00 0.00 H new ATOM 1821 N SER B 120 10.622 -7.698 3.620 1.00 0.00 N ATOM 1822 CA SER B 120 9.733 -8.786 3.189 1.00 0.00 C ATOM 1823 C SER B 120 9.517 -9.740 4.366 1.00 0.00 C ATOM 1824 O SER B 120 8.377 -9.973 4.762 1.00 0.00 O ATOM 1825 CB SER B 120 10.316 -9.520 1.975 1.00 0.00 C ATOM 1826 OG SER B 120 11.704 -9.767 2.162 1.00 0.00 O ATOM 0 H SER B 120 11.433 -7.578 3.013 1.00 0.00 H new ATOM 0 HA SER B 120 8.772 -8.374 2.881 1.00 0.00 H new ATOM 0 HB2 SER B 120 9.790 -10.463 1.825 1.00 0.00 H new ATOM 0 HB3 SER B 120 10.165 -8.924 1.075 1.00 0.00 H new ATOM 0 HG SER B 120 12.061 -10.237 1.380 1.00 0.00 H new ATOM 1832 N TYR B 121 10.612 -10.217 4.973 1.00 0.00 N ATOM 1833 CA TYR B 121 10.628 -11.061 6.168 1.00 0.00 C ATOM 1834 C TYR B 121 9.771 -10.480 7.305 1.00 0.00 C ATOM 1835 O TYR B 121 8.844 -11.149 7.757 1.00 0.00 O ATOM 1836 CB TYR B 121 12.075 -11.303 6.625 1.00 0.00 C ATOM 1837 CG TYR B 121 12.180 -12.216 7.835 1.00 0.00 C ATOM 1838 CD1 TYR B 121 12.299 -13.608 7.657 1.00 0.00 C ATOM 1839 CD2 TYR B 121 12.112 -11.679 9.138 1.00 0.00 C ATOM 1840 CE1 TYR B 121 12.352 -14.463 8.775 1.00 0.00 C ATOM 1841 CE2 TYR B 121 12.147 -12.532 10.257 1.00 0.00 C ATOM 1842 CZ TYR B 121 12.273 -13.927 10.080 1.00 0.00 C ATOM 1843 OH TYR B 121 12.305 -14.746 11.167 1.00 0.00 O ATOM 0 H TYR B 121 11.550 -10.014 4.627 1.00 0.00 H new ATOM 0 HA TYR B 121 10.179 -12.019 5.904 1.00 0.00 H new ATOM 0 HB2 TYR B 121 12.641 -11.738 5.801 1.00 0.00 H new ATOM 0 HB3 TYR B 121 12.539 -10.345 6.860 1.00 0.00 H new ATOM 0 HD1 TYR B 121 12.350 -14.021 6.660 1.00 0.00 H new ATOM 0 HD2 TYR B 121 12.033 -10.611 9.277 1.00 0.00 H new ATOM 0 HE1 TYR B 121 12.453 -15.529 8.635 1.00 0.00 H new ATOM 0 HE2 TYR B 121 12.077 -12.119 11.252 1.00 0.00 H new ATOM 0 HH TYR B 121 12.241 -14.208 11.984 1.00 0.00 H new ATOM 1853 N ASP B 122 10.048 -9.252 7.767 1.00 0.00 N ATOM 1854 CA ASP B 122 9.281 -8.600 8.843 1.00 0.00 C ATOM 1855 C ASP B 122 7.775 -8.565 8.538 1.00 0.00 C ATOM 1856 O ASP B 122 6.965 -8.973 9.375 1.00 0.00 O ATOM 1857 CB ASP B 122 9.794 -7.173 9.122 1.00 0.00 C ATOM 1858 CG ASP B 122 10.945 -7.107 10.140 1.00 0.00 C ATOM 1859 OD1 ASP B 122 10.937 -7.880 11.128 1.00 0.00 O ATOM 1860 OD2 ASP B 122 11.818 -6.218 10.014 1.00 0.00 O ATOM 0 H ASP B 122 10.811 -8.680 7.405 1.00 0.00 H new ATOM 0 HA ASP B 122 9.432 -9.205 9.737 1.00 0.00 H new ATOM 0 HB2 ASP B 122 10.127 -6.728 8.184 1.00 0.00 H new ATOM 0 HB3 ASP B 122 8.966 -6.565 9.486 1.00 0.00 H new ATOM 1865 N CYS B 123 7.397 -8.093 7.350 1.00 0.00 N ATOM 1866 CA CYS B 123 6.008 -8.005 6.905 1.00 0.00 C ATOM 1867 C CYS B 123 5.336 -9.393 6.838 1.00 0.00 C ATOM 1868 O CYS B 123 4.250 -9.569 7.390 1.00 0.00 O ATOM 1869 CB CYS B 123 5.945 -7.237 5.580 1.00 0.00 C ATOM 1870 SG CYS B 123 6.544 -5.534 5.785 1.00 0.00 S ATOM 0 H CYS B 123 8.063 -7.754 6.656 1.00 0.00 H new ATOM 0 HA CYS B 123 5.430 -7.446 7.641 1.00 0.00 H new ATOM 0 HB2 CYS B 123 6.546 -7.750 4.829 1.00 0.00 H new ATOM 0 HB3 CYS B 123 4.919 -7.224 5.212 1.00 0.00 H new ATOM 0 HG CYS B 123 7.840 -5.515 5.685 1.00 0.00 H new ATOM 1876 N GLU B 124 5.981 -10.387 6.216 1.00 0.00 N ATOM 1877 CA GLU B 124 5.524 -11.787 6.132 1.00 0.00 C ATOM 1878 C GLU B 124 5.270 -12.382 7.525 1.00 0.00 C ATOM 1879 O GLU B 124 4.233 -13.000 7.758 1.00 0.00 O ATOM 1880 CB GLU B 124 6.555 -12.655 5.382 1.00 0.00 C ATOM 1881 CG GLU B 124 6.502 -12.486 3.859 1.00 0.00 C ATOM 1882 CD GLU B 124 7.640 -13.254 3.172 1.00 0.00 C ATOM 1883 OE1 GLU B 124 7.507 -14.485 2.967 1.00 0.00 O ATOM 1884 OE2 GLU B 124 8.674 -12.643 2.811 1.00 0.00 O ATOM 0 H GLU B 124 6.869 -10.237 5.738 1.00 0.00 H new ATOM 0 HA GLU B 124 4.584 -11.786 5.580 1.00 0.00 H new ATOM 0 HB2 GLU B 124 7.555 -12.402 5.733 1.00 0.00 H new ATOM 0 HB3 GLU B 124 6.385 -13.703 5.630 1.00 0.00 H new ATOM 0 HG2 GLU B 124 5.542 -12.842 3.485 1.00 0.00 H new ATOM 0 HG3 GLU B 124 6.570 -11.428 3.606 1.00 0.00 H new ATOM 1891 N VAL B 125 6.213 -12.199 8.451 1.00 0.00 N ATOM 1892 CA VAL B 125 6.162 -12.656 9.848 1.00 0.00 C ATOM 1893 C VAL B 125 5.005 -12.016 10.625 1.00 0.00 C ATOM 1894 O VAL B 125 4.246 -12.714 11.298 1.00 0.00 O ATOM 1895 CB VAL B 125 7.528 -12.377 10.516 1.00 0.00 C ATOM 1896 CG1 VAL B 125 7.512 -12.332 12.047 1.00 0.00 C ATOM 1897 CG2 VAL B 125 8.530 -13.451 10.080 1.00 0.00 C ATOM 0 H VAL B 125 7.079 -11.703 8.240 1.00 0.00 H new ATOM 0 HA VAL B 125 5.969 -13.729 9.861 1.00 0.00 H new ATOM 0 HB VAL B 125 7.810 -11.378 10.184 1.00 0.00 H new ATOM 0 HG11 VAL B 125 8.518 -12.130 12.416 1.00 0.00 H new ATOM 0 HG12 VAL B 125 6.838 -11.543 12.381 1.00 0.00 H new ATOM 0 HG13 VAL B 125 7.169 -13.291 12.436 1.00 0.00 H new ATOM 0 HG21 VAL B 125 9.496 -13.259 10.548 1.00 0.00 H new ATOM 0 HG22 VAL B 125 8.167 -14.432 10.385 1.00 0.00 H new ATOM 0 HG23 VAL B 125 8.641 -13.426 8.996 1.00 0.00 H new ATOM 1907 N ASN B 126 4.884 -10.687 10.573 1.00 0.00 N ATOM 1908 CA ASN B 126 3.883 -9.915 11.313 1.00 0.00 C ATOM 1909 C ASN B 126 2.454 -10.032 10.754 1.00 0.00 C ATOM 1910 O ASN B 126 1.512 -10.121 11.545 1.00 0.00 O ATOM 1911 CB ASN B 126 4.355 -8.457 11.417 1.00 0.00 C ATOM 1912 CG ASN B 126 5.435 -8.293 12.473 1.00 0.00 C ATOM 1913 OD1 ASN B 126 5.166 -7.978 13.618 1.00 0.00 O ATOM 1914 ND2 ASN B 126 6.680 -8.555 12.155 1.00 0.00 N ATOM 0 H ASN B 126 5.495 -10.104 10.001 1.00 0.00 H new ATOM 0 HA ASN B 126 3.806 -10.346 12.311 1.00 0.00 H new ATOM 0 HB2 ASN B 126 4.737 -8.128 10.451 1.00 0.00 H new ATOM 0 HB3 ASN B 126 3.508 -7.816 11.660 1.00 0.00 H new ATOM 0 HD21 ASN B 126 7.411 -8.494 12.864 1.00 0.00 H new ATOM 0 HD22 ASN B 126 6.917 -8.820 11.199 1.00 0.00 H new ATOM 1921 N ALA B 127 2.277 -10.024 9.430 1.00 0.00 N ATOM 1922 CA ALA B 127 0.980 -10.125 8.755 1.00 0.00 C ATOM 1923 C ALA B 127 1.041 -11.065 7.522 1.00 0.00 C ATOM 1924 O ALA B 127 1.058 -10.588 6.377 1.00 0.00 O ATOM 1925 CB ALA B 127 0.507 -8.702 8.414 1.00 0.00 C ATOM 0 H ALA B 127 3.057 -9.945 8.778 1.00 0.00 H new ATOM 0 HA ALA B 127 0.247 -10.587 9.416 1.00 0.00 H new ATOM 0 HB1 ALA B 127 -0.458 -8.750 7.910 1.00 0.00 H new ATOM 0 HB2 ALA B 127 0.409 -8.122 9.331 1.00 0.00 H new ATOM 0 HB3 ALA B 127 1.235 -8.224 7.759 1.00 0.00 H new ATOM 1931 N PRO B 128 1.054 -12.401 7.727 1.00 0.00 N ATOM 1932 CA PRO B 128 1.100 -13.391 6.647 1.00 0.00 C ATOM 1933 C PRO B 128 -0.046 -13.241 5.637 1.00 0.00 C ATOM 1934 O PRO B 128 -1.207 -13.071 6.016 1.00 0.00 O ATOM 1935 CB PRO B 128 1.029 -14.768 7.323 1.00 0.00 C ATOM 1936 CG PRO B 128 1.450 -14.516 8.768 1.00 0.00 C ATOM 1937 CD PRO B 128 1.028 -13.071 9.022 1.00 0.00 C ATOM 0 HA PRO B 128 2.015 -13.254 6.071 1.00 0.00 H new ATOM 0 HB2 PRO B 128 0.022 -15.183 7.271 1.00 0.00 H new ATOM 0 HB3 PRO B 128 1.693 -15.482 6.836 1.00 0.00 H new ATOM 0 HG2 PRO B 128 0.956 -15.204 9.455 1.00 0.00 H new ATOM 0 HG3 PRO B 128 2.524 -14.649 8.901 1.00 0.00 H new ATOM 0 HD2 PRO B 128 0.031 -13.029 9.461 1.00 0.00 H new ATOM 0 HD3 PRO B 128 1.706 -12.586 9.724 1.00 0.00 H new ATOM 1945 N ILE B 129 0.278 -13.333 4.345 1.00 0.00 N ATOM 1946 CA ILE B 129 -0.687 -13.279 3.235 1.00 0.00 C ATOM 1947 C ILE B 129 -1.628 -14.495 3.329 1.00 0.00 C ATOM 1948 O ILE B 129 -1.157 -15.628 3.470 1.00 0.00 O ATOM 1949 CB ILE B 129 0.066 -13.285 1.885 1.00 0.00 C ATOM 1950 CG1 ILE B 129 1.003 -12.067 1.723 1.00 0.00 C ATOM 1951 CG2 ILE B 129 -0.911 -13.296 0.698 1.00 0.00 C ATOM 1952 CD1 ILE B 129 2.216 -12.373 0.836 1.00 0.00 C ATOM 0 H ILE B 129 1.241 -13.450 4.030 1.00 0.00 H new ATOM 0 HA ILE B 129 -1.274 -12.363 3.299 1.00 0.00 H new ATOM 0 HB ILE B 129 0.665 -14.196 1.889 1.00 0.00 H new ATOM 0 HG12 ILE B 129 0.443 -11.237 1.293 1.00 0.00 H new ATOM 0 HG13 ILE B 129 1.348 -11.745 2.706 1.00 0.00 H new ATOM 0 HG21 ILE B 129 -0.349 -13.300 -0.236 1.00 0.00 H new ATOM 0 HG22 ILE B 129 -1.536 -14.188 0.749 1.00 0.00 H new ATOM 0 HG23 ILE B 129 -1.542 -12.408 0.738 1.00 0.00 H new ATOM 0 HD11 ILE B 129 2.841 -11.484 0.755 1.00 0.00 H new ATOM 0 HD12 ILE B 129 2.794 -13.184 1.278 1.00 0.00 H new ATOM 0 HD13 ILE B 129 1.876 -12.668 -0.156 1.00 0.00 H new ATOM 1964 N GLN B 130 -2.947 -14.280 3.242 1.00 0.00 N ATOM 1965 CA GLN B 130 -3.932 -15.371 3.289 1.00 0.00 C ATOM 1966 C GLN B 130 -3.724 -16.362 2.130 1.00 0.00 C ATOM 1967 O GLN B 130 -3.502 -15.969 0.981 1.00 0.00 O ATOM 1968 CB GLN B 130 -5.369 -14.826 3.278 1.00 0.00 C ATOM 1969 CG GLN B 130 -5.745 -14.043 4.545 1.00 0.00 C ATOM 1970 CD GLN B 130 -5.622 -14.839 5.843 1.00 0.00 C ATOM 1971 OE1 GLN B 130 -4.970 -14.432 6.797 1.00 0.00 O ATOM 1972 NE2 GLN B 130 -6.260 -15.986 5.958 1.00 0.00 N ATOM 0 H GLN B 130 -3.360 -13.353 3.138 1.00 0.00 H new ATOM 0 HA GLN B 130 -3.778 -15.906 4.226 1.00 0.00 H new ATOM 0 HB2 GLN B 130 -5.495 -14.178 2.411 1.00 0.00 H new ATOM 0 HB3 GLN B 130 -6.062 -15.658 3.157 1.00 0.00 H new ATOM 0 HG2 GLN B 130 -5.109 -13.161 4.613 1.00 0.00 H new ATOM 0 HG3 GLN B 130 -6.771 -13.689 4.447 1.00 0.00 H new ATOM 0 HE21 GLN B 130 -6.809 -16.345 5.177 1.00 0.00 H new ATOM 0 HE22 GLN B 130 -6.205 -16.515 6.828 1.00 0.00 H new ATOM 2037 N LEU B 135 4.705 -12.551 -3.508 1.00 0.00 N ATOM 2038 CA LEU B 135 4.804 -11.110 -3.742 1.00 0.00 C ATOM 2039 C LEU B 135 4.109 -10.651 -5.034 1.00 0.00 C ATOM 2040 O LEU B 135 4.610 -10.834 -6.150 1.00 0.00 O ATOM 2041 CB LEU B 135 6.275 -10.670 -3.692 1.00 0.00 C ATOM 2042 CG LEU B 135 6.954 -10.922 -2.333 1.00 0.00 C ATOM 2043 CD1 LEU B 135 8.361 -10.328 -2.389 1.00 0.00 C ATOM 2044 CD2 LEU B 135 6.237 -10.272 -1.144 1.00 0.00 C ATOM 0 HA LEU B 135 4.261 -10.614 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU B 135 6.829 -11.198 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU B 135 6.335 -9.607 -3.926 1.00 0.00 H new ATOM 0 HG LEU B 135 6.941 -12.000 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU B 135 8.864 -10.494 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU B 135 8.927 -10.809 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU B 135 8.297 -9.258 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU B 135 6.779 -10.497 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU B 135 6.200 -9.192 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU B 135 5.222 -10.664 -1.072 1.00 0.00 H new ATOM 2056 N LEU B 136 2.968 -9.989 -4.839 1.00 0.00 N ATOM 2057 CA LEU B 136 2.134 -9.302 -5.825 1.00 0.00 C ATOM 2058 C LEU B 136 3.024 -8.259 -6.540 1.00 0.00 C ATOM 2059 O LEU B 136 3.779 -7.536 -5.885 1.00 0.00 O ATOM 2060 CB LEU B 136 0.967 -8.684 -5.017 1.00 0.00 C ATOM 2061 CG LEU B 136 -0.294 -8.185 -5.735 1.00 0.00 C ATOM 2062 CD1 LEU B 136 -0.005 -7.276 -6.913 1.00 0.00 C ATOM 2063 CD2 LEU B 136 -1.199 -9.309 -6.229 1.00 0.00 C ATOM 0 H LEU B 136 2.569 -9.913 -3.903 1.00 0.00 H new ATOM 0 HA LEU B 136 1.718 -9.943 -6.603 1.00 0.00 H new ATOM 0 HB2 LEU B 136 0.649 -9.429 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU B 136 1.373 -7.842 -4.456 1.00 0.00 H new ATOM 0 HG LEU B 136 -0.808 -7.618 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU B 136 -0.944 -6.963 -7.370 1.00 0.00 H new ATOM 0 HD12 LEU B 136 0.541 -6.398 -6.569 1.00 0.00 H new ATOM 0 HD13 LEU B 136 0.596 -7.812 -7.648 1.00 0.00 H new ATOM 0 HD21 LEU B 136 -2.070 -8.883 -6.726 1.00 0.00 H new ATOM 0 HD22 LEU B 136 -0.650 -9.936 -6.932 1.00 0.00 H new ATOM 0 HD23 LEU B 136 -1.524 -9.913 -5.382 1.00 0.00 H new ATOM 2075 N GLN B 137 2.998 -8.216 -7.876 1.00 0.00 N ATOM 2076 CA GLN B 137 3.885 -7.361 -8.680 1.00 0.00 C ATOM 2077 C GLN B 137 3.274 -6.863 -10.003 1.00 0.00 C ATOM 2078 O GLN B 137 2.307 -7.426 -10.518 1.00 0.00 O ATOM 2079 CB GLN B 137 5.198 -8.130 -8.925 1.00 0.00 C ATOM 2080 CG GLN B 137 5.013 -9.437 -9.717 1.00 0.00 C ATOM 2081 CD GLN B 137 6.280 -10.280 -9.695 1.00 0.00 C ATOM 2082 OE1 GLN B 137 7.034 -10.339 -10.659 1.00 0.00 O ATOM 2083 NE2 GLN B 137 6.552 -10.962 -8.602 1.00 0.00 N ATOM 0 H GLN B 137 2.357 -8.777 -8.437 1.00 0.00 H new ATOM 0 HA GLN B 137 4.063 -6.448 -8.111 1.00 0.00 H new ATOM 0 HB2 GLN B 137 5.891 -7.484 -9.464 1.00 0.00 H new ATOM 0 HB3 GLN B 137 5.658 -8.360 -7.964 1.00 0.00 H new ATOM 0 HG2 GLN B 137 4.186 -10.008 -9.294 1.00 0.00 H new ATOM 0 HG3 GLN B 137 4.745 -9.205 -10.748 1.00 0.00 H new ATOM 0 HE21 GLN B 137 5.924 -10.912 -7.800 1.00 0.00 H new ATOM 0 HE22 GLN B 137 7.391 -11.540 -8.557 1.00 0.00 H new ATOM 2092 N GLY B 138 3.868 -5.803 -10.562 1.00 0.00 N ATOM 2093 CA GLY B 138 3.477 -5.165 -11.826 1.00 0.00 C ATOM 2094 C GLY B 138 2.106 -4.485 -11.796 1.00 0.00 C ATOM 2095 O GLY B 138 1.718 -3.919 -10.779 1.00 0.00 O ATOM 0 H GLY B 138 4.670 -5.346 -10.128 1.00 0.00 H new ATOM 0 HA2 GLY B 138 4.230 -4.424 -12.093 1.00 0.00 H new ATOM 0 HA3 GLY B 138 3.478 -5.918 -12.614 1.00 0.00 H new ATOM 2099 N GLU B 139 1.372 -4.496 -12.913 1.00 0.00 N ATOM 2100 CA GLU B 139 0.063 -3.825 -13.027 1.00 0.00 C ATOM 2101 C GLU B 139 -0.959 -4.293 -11.971 1.00 0.00 C ATOM 2102 O GLU B 139 -1.772 -3.494 -11.508 1.00 0.00 O ATOM 2103 CB GLU B 139 -0.486 -3.947 -14.459 1.00 0.00 C ATOM 2104 CG GLU B 139 -1.575 -2.899 -14.736 1.00 0.00 C ATOM 2105 CD GLU B 139 -2.046 -2.936 -16.200 1.00 0.00 C ATOM 2106 OE1 GLU B 139 -1.325 -2.427 -17.094 1.00 0.00 O ATOM 2107 OE2 GLU B 139 -3.153 -3.467 -16.464 1.00 0.00 O ATOM 0 H GLU B 139 1.665 -4.970 -13.768 1.00 0.00 H new ATOM 0 HA GLU B 139 0.230 -2.769 -12.814 1.00 0.00 H new ATOM 0 HB2 GLU B 139 0.328 -3.825 -15.173 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -0.895 -4.946 -14.609 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -2.425 -3.075 -14.076 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -1.191 -1.906 -14.503 1.00 0.00 H new ATOM 2114 N GLU B 140 -0.885 -5.555 -11.531 1.00 0.00 N ATOM 2115 CA GLU B 140 -1.709 -6.101 -10.441 1.00 0.00 C ATOM 2116 C GLU B 140 -1.618 -5.241 -9.169 1.00 0.00 C ATOM 2117 O GLU B 140 -2.628 -5.091 -8.478 1.00 0.00 O ATOM 2118 CB GLU B 140 -1.320 -7.553 -10.126 1.00 0.00 C ATOM 2119 CG GLU B 140 -1.863 -8.581 -11.121 1.00 0.00 C ATOM 2120 CD GLU B 140 -3.370 -8.812 -10.916 1.00 0.00 C ATOM 2121 OE1 GLU B 140 -3.752 -9.510 -9.946 1.00 0.00 O ATOM 2122 OE2 GLU B 140 -4.186 -8.271 -11.700 1.00 0.00 O ATOM 0 H GLU B 140 -0.240 -6.239 -11.928 1.00 0.00 H new ATOM 0 HA GLU B 140 -2.743 -6.083 -10.786 1.00 0.00 H new ATOM 0 HB2 GLU B 140 -0.233 -7.628 -10.101 1.00 0.00 H new ATOM 0 HB3 GLU B 140 -1.680 -7.805 -9.129 1.00 0.00 H new ATOM 0 HG2 GLU B 140 -1.680 -8.237 -12.139 1.00 0.00 H new ATOM 0 HG3 GLU B 140 -1.329 -9.524 -11.002 1.00 0.00 H new ATOM 2129 N LEU B 141 -0.448 -4.646 -8.877 1.00 0.00 N ATOM 2130 CA LEU B 141 -0.254 -3.719 -7.756 1.00 0.00 C ATOM 2131 C LEU B 141 -1.246 -2.564 -7.910 1.00 0.00 C ATOM 2132 O LEU B 141 -2.103 -2.353 -7.061 1.00 0.00 O ATOM 2133 CB LEU B 141 1.177 -3.140 -7.724 1.00 0.00 C ATOM 2134 CG LEU B 141 2.325 -4.125 -7.450 1.00 0.00 C ATOM 2135 CD1 LEU B 141 3.638 -3.510 -7.937 1.00 0.00 C ATOM 2136 CD2 LEU B 141 2.486 -4.393 -5.955 1.00 0.00 C ATOM 0 H LEU B 141 0.400 -4.800 -9.423 1.00 0.00 H new ATOM 0 HA LEU B 141 -0.415 -4.267 -6.828 1.00 0.00 H new ATOM 0 HB2 LEU B 141 1.368 -2.656 -8.682 1.00 0.00 H new ATOM 0 HB3 LEU B 141 1.210 -2.362 -6.962 1.00 0.00 H new ATOM 0 HG LEU B 141 2.092 -5.056 -7.967 1.00 0.00 H new ATOM 0 HD11 LEU B 141 4.457 -4.203 -7.746 1.00 0.00 H new ATOM 0 HD12 LEU B 141 3.572 -3.312 -9.007 1.00 0.00 H new ATOM 0 HD13 LEU B 141 3.821 -2.576 -7.406 1.00 0.00 H new ATOM 0 HD21 LEU B 141 3.306 -5.093 -5.797 1.00 0.00 H new ATOM 0 HD22 LEU B 141 2.703 -3.458 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU B 141 1.564 -4.819 -5.560 1.00 0.00 H new ATOM 2148 N LEU B 142 -1.133 -1.825 -9.015 1.00 0.00 N ATOM 2149 CA LEU B 142 -1.951 -0.658 -9.339 1.00 0.00 C ATOM 2150 C LEU B 142 -3.452 -0.976 -9.312 1.00 0.00 C ATOM 2151 O LEU B 142 -4.221 -0.205 -8.740 1.00 0.00 O ATOM 2152 CB LEU B 142 -1.501 -0.032 -10.667 1.00 0.00 C ATOM 2153 CG LEU B 142 0.018 0.205 -10.823 1.00 0.00 C ATOM 2154 CD1 LEU B 142 0.246 1.211 -11.948 1.00 0.00 C ATOM 2155 CD2 LEU B 142 0.703 0.756 -9.570 1.00 0.00 C ATOM 0 H LEU B 142 -0.442 -2.032 -9.736 1.00 0.00 H new ATOM 0 HA LEU B 142 -1.795 0.087 -8.559 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -1.834 -0.676 -11.481 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -2.012 0.923 -10.787 1.00 0.00 H new ATOM 0 HG LEU B 142 0.454 -0.773 -11.029 1.00 0.00 H new ATOM 0 HD11 LEU B 142 1.315 1.387 -12.068 1.00 0.00 H new ATOM 0 HD12 LEU B 142 -0.163 0.816 -12.878 1.00 0.00 H new ATOM 0 HD13 LEU B 142 -0.251 2.150 -11.703 1.00 0.00 H new ATOM 0 HD21 LEU B 142 1.766 0.892 -9.767 1.00 0.00 H new ATOM 0 HD22 LEU B 142 0.257 1.714 -9.303 1.00 0.00 H new ATOM 0 HD23 LEU B 142 0.574 0.054 -8.746 1.00 0.00 H new ATOM 2167 N ARG B 143 -3.867 -2.121 -9.875 1.00 0.00 N ATOM 2168 CA ARG B 143 -5.258 -2.621 -9.834 1.00 0.00 C ATOM 2169 C ARG B 143 -5.730 -2.777 -8.380 1.00 0.00 C ATOM 2170 O ARG B 143 -6.806 -2.293 -8.027 1.00 0.00 O ATOM 2171 CB ARG B 143 -5.374 -3.953 -10.597 1.00 0.00 C ATOM 2172 CG ARG B 143 -5.116 -3.827 -12.109 1.00 0.00 C ATOM 2173 CD ARG B 143 -5.011 -5.229 -12.722 1.00 0.00 C ATOM 2174 NE ARG B 143 -4.535 -5.212 -14.116 1.00 0.00 N ATOM 2175 CZ ARG B 143 -4.203 -6.267 -14.839 1.00 0.00 C ATOM 2176 NH1 ARG B 143 -4.224 -7.483 -14.371 1.00 0.00 N ATOM 2177 NH2 ARG B 143 -3.824 -6.113 -16.071 1.00 0.00 N ATOM 0 H ARG B 143 -3.236 -2.741 -10.383 1.00 0.00 H new ATOM 0 HA ARG B 143 -5.905 -1.893 -10.324 1.00 0.00 H new ATOM 0 HB2 ARG B 143 -4.665 -4.666 -10.175 1.00 0.00 H new ATOM 0 HB3 ARG B 143 -6.371 -4.365 -10.441 1.00 0.00 H new ATOM 0 HG2 ARG B 143 -5.924 -3.270 -12.583 1.00 0.00 H new ATOM 0 HG3 ARG B 143 -4.197 -3.269 -12.288 1.00 0.00 H new ATOM 0 HD2 ARG B 143 -4.333 -5.833 -12.119 1.00 0.00 H new ATOM 0 HD3 ARG B 143 -5.988 -5.711 -12.683 1.00 0.00 H new ATOM 0 HE ARG B 143 -4.454 -4.300 -14.565 1.00 0.00 H new ATOM 0 HH11 ARG B 143 -4.506 -7.653 -13.406 1.00 0.00 H new ATOM 0 HH12 ARG B 143 -3.958 -8.265 -14.970 1.00 0.00 H new ATOM 0 HH21 ARG B 143 -3.783 -5.179 -16.479 1.00 0.00 H new ATOM 0 HH22 ARG B 143 -3.567 -6.926 -16.631 1.00 0.00 H new ATOM 2191 N ALA B 144 -4.919 -3.420 -7.535 1.00 0.00 N ATOM 2192 CA ALA B 144 -5.178 -3.591 -6.106 1.00 0.00 C ATOM 2193 C ALA B 144 -5.274 -2.232 -5.375 1.00 0.00 C ATOM 2194 O ALA B 144 -6.193 -2.040 -4.582 1.00 0.00 O ATOM 2195 CB ALA B 144 -4.116 -4.520 -5.496 1.00 0.00 C ATOM 0 H ALA B 144 -4.042 -3.846 -7.835 1.00 0.00 H new ATOM 0 HA ALA B 144 -6.151 -4.064 -5.976 1.00 0.00 H new ATOM 0 HB1 ALA B 144 -4.311 -4.646 -4.431 1.00 0.00 H new ATOM 0 HB2 ALA B 144 -4.155 -5.491 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA B 144 -3.127 -4.083 -5.634 1.00 0.00 H new ATOM 2201 N LEU B 145 -4.361 -1.285 -5.632 1.00 0.00 N ATOM 2202 CA LEU B 145 -4.362 0.066 -5.042 1.00 0.00 C ATOM 2203 C LEU B 145 -5.571 0.915 -5.472 1.00 0.00 C ATOM 2204 O LEU B 145 -6.119 1.669 -4.672 1.00 0.00 O ATOM 2205 CB LEU B 145 -3.080 0.832 -5.417 1.00 0.00 C ATOM 2206 CG LEU B 145 -1.751 0.211 -4.969 1.00 0.00 C ATOM 2207 CD1 LEU B 145 -0.593 1.125 -5.316 1.00 0.00 C ATOM 2208 CD2 LEU B 145 -1.680 -0.047 -3.475 1.00 0.00 C ATOM 0 H LEU B 145 -3.581 -1.438 -6.271 1.00 0.00 H new ATOM 0 HA LEU B 145 -4.417 -0.089 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -3.055 0.944 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -3.147 1.835 -4.995 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.688 -0.741 -5.495 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.341 0.668 -4.991 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.564 1.282 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -0.723 2.083 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -0.714 -0.487 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -1.799 0.894 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -2.476 -0.734 -3.186 1.00 0.00 H new ATOM 2220 N ASP B 146 -5.972 0.845 -6.741 1.00 0.00 N ATOM 2221 CA ASP B 146 -7.080 1.621 -7.311 1.00 0.00 C ATOM 2222 C ASP B 146 -8.422 1.402 -6.593 1.00 0.00 C ATOM 2223 O ASP B 146 -9.166 2.363 -6.394 1.00 0.00 O ATOM 2224 CB ASP B 146 -7.194 1.314 -8.811 1.00 0.00 C ATOM 2225 CG ASP B 146 -8.308 2.130 -9.487 1.00 0.00 C ATOM 2226 OD1 ASP B 146 -8.094 3.337 -9.754 1.00 0.00 O ATOM 2227 OD2 ASP B 146 -9.388 1.561 -9.776 1.00 0.00 O ATOM 0 H ASP B 146 -5.525 0.231 -7.422 1.00 0.00 H new ATOM 0 HA ASP B 146 -6.847 2.676 -7.164 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -6.242 1.528 -9.297 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -7.390 0.251 -8.949 1.00 0.00 H new ATOM 2232 N GLN B 147 -8.741 0.161 -6.197 1.00 0.00 N ATOM 2233 CA GLN B 147 -10.008 -0.229 -5.547 1.00 0.00 C ATOM 2234 C GLN B 147 -10.411 0.591 -4.298 1.00 0.00 C ATOM 2235 O GLN B 147 -11.575 0.552 -3.893 1.00 0.00 O ATOM 2236 CB GLN B 147 -10.017 -1.747 -5.272 1.00 0.00 C ATOM 2237 CG GLN B 147 -9.447 -2.140 -3.899 1.00 0.00 C ATOM 2238 CD GLN B 147 -9.238 -3.648 -3.774 1.00 0.00 C ATOM 2239 OE1 GLN B 147 -10.174 -4.431 -3.667 1.00 0.00 O ATOM 2240 NE2 GLN B 147 -8.008 -4.111 -3.783 1.00 0.00 N ATOM 0 H GLN B 147 -8.106 -0.627 -6.323 1.00 0.00 H new ATOM 0 HA GLN B 147 -10.788 0.021 -6.266 1.00 0.00 H new ATOM 0 HB2 GLN B 147 -11.041 -2.113 -5.346 1.00 0.00 H new ATOM 0 HB3 GLN B 147 -9.442 -2.250 -6.050 1.00 0.00 H new ATOM 0 HG2 GLN B 147 -8.497 -1.629 -3.741 1.00 0.00 H new ATOM 0 HG3 GLN B 147 -10.125 -1.802 -3.115 1.00 0.00 H new ATOM 0 HE21 GLN B 147 -7.222 -3.468 -3.872 1.00 0.00 H new ATOM 0 HE22 GLN B 147 -7.840 -5.114 -3.701 1.00 0.00 H new ATOM 2249 N VAL B 148 -9.476 1.328 -3.683 1.00 0.00 N ATOM 2250 CA VAL B 148 -9.701 2.197 -2.511 1.00 0.00 C ATOM 2251 C VAL B 148 -10.722 3.311 -2.811 1.00 0.00 C ATOM 2252 O VAL B 148 -11.506 3.677 -1.930 1.00 0.00 O ATOM 2253 CB VAL B 148 -8.379 2.828 -2.014 1.00 0.00 C ATOM 2254 CG1 VAL B 148 -8.548 3.573 -0.682 1.00 0.00 C ATOM 2255 CG2 VAL B 148 -7.268 1.808 -1.747 1.00 0.00 C ATOM 0 H VAL B 148 -8.505 1.338 -3.997 1.00 0.00 H new ATOM 0 HA VAL B 148 -10.106 1.559 -1.726 1.00 0.00 H new ATOM 0 HB VAL B 148 -8.107 3.496 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -7.591 3.997 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -9.277 4.374 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -8.896 2.878 0.082 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -6.373 2.326 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -7.597 1.104 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -7.042 1.267 -2.666 1.00 0.00 H new ATOM 2265 N ASN B 149 -10.700 3.878 -4.030 1.00 0.00 N ATOM 2266 CA ASN B 149 -11.575 4.990 -4.455 1.00 0.00 C ATOM 2267 C ASN B 149 -13.088 4.680 -4.377 1.00 0.00 C ATOM 2268 O ASN B 149 -13.853 5.595 -3.989 1.00 0.00 O ATOM 2269 CB ASN B 149 -11.149 5.525 -5.848 1.00 0.00 C ATOM 2270 CG ASN B 149 -11.822 4.852 -7.042 1.00 0.00 C ATOM 2271 OD1 ASN B 149 -12.779 5.388 -7.622 1.00 0.00 O ATOM 2272 ND2 ASN B 149 -11.367 3.724 -7.489 1.00 0.00 N ATOM 2273 OXT ASN B 149 -13.511 3.555 -4.720 1.00 0.00 O ATOM 0 H ASN B 149 -10.061 3.571 -4.764 1.00 0.00 H new ATOM 0 HA ASN B 149 -11.429 5.785 -3.724 1.00 0.00 H new ATOM 0 HB2 ASN B 149 -11.360 6.594 -5.888 1.00 0.00 H new ATOM 0 HB3 ASN B 149 -10.070 5.410 -5.948 1.00 0.00 H new ATOM 0 HD21 ASN B 149 -11.795 3.289 -8.307 1.00 0.00 H new ATOM 0 HD22 ASN B 149 -10.581 3.271 -7.023 1.00 0.00 H new