USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 856 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 NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 94 ASN : amide:sc= 0.315 K(o=1.4,f=0.32) USER MOD Set 1.2: A 98 SER OG : rot -7:sc= 1.13 USER MOD Set 2.1: A 57 ASN : amide:sc= 0.679 K(o=-0.043,f=-0.72) USER MOD Set 2.2: A 91 TYR OH : rot 180:sc= -0.722 USER MOD Set 3.1: A 64 SER OG : rot -60:sc= 0.46 USER MOD Set 3.2: A 69 ASN : amide:sc= 1.07 X(o=1.5,f=1.5) USER MOD Set 4.1: A 33 SER OG : rot 180:sc= 0.226 USER MOD Set 4.2: A 34 HIS : no HD1:sc= -0.551 X(o=-0.32,f=0.0033) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.188 (180deg=-0.752) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0.862) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.575 X(o=-0.57,f=-0.47) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.0275 (180deg=-0.493) USER MOD Single : A 25 CYS SG : rot 180:sc=0.000675 USER MOD Single : A 31 LYS NZ :NH3+ -145:sc= 0.604 (180deg=0.165) USER MOD Single : A 32 SER OG : rot -47:sc= 0.401 USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= -0.0336 (180deg=-0.198) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0485 USER MOD Single : A 39 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc=0.000303 USER MOD Single : A 43 HIS : no HD1:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.039 USER MOD Single : A 51 SER OG : rot -70:sc= -0.99! USER MOD Single : A 61 TYR OH : rot 130:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= 1.32 (180deg=1.12) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 167:sc= 0 (180deg=-0.124) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 0.142 (180deg=-0.293!) USER MOD Single : A 76 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.22) USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= 0.732 (180deg=0.643) USER MOD Single : A 85 LYS NZ :NH3+ 161:sc= -0.0525 (180deg=-0.385) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0499 USER MOD Single : A 87 ASN : amide:sc= -0.222 K(o=-0.22,f=-3.8!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 150:sc= -0.485 (180deg=-2.02!) USER MOD Single : A 100 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.103) USER MOD Single : A 101 LYS NZ :NH3+ 133:sc= 0.644 (180deg=-0.616) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.157 -4.345 8.083 1.00 3.01 N ATOM 2 CA MET A 1 2.402 -3.075 8.173 1.00 21.14 C ATOM 3 C MET A 1 1.680 -2.775 6.860 1.00 30.32 C ATOM 4 O MET A 1 0.484 -2.484 6.852 1.00 72.53 O ATOM 5 CB MET A 1 3.355 -1.924 8.518 1.00 21.22 C ATOM 6 CG MET A 1 2.671 -0.572 8.644 1.00 74.11 C ATOM 7 SD MET A 1 3.834 0.768 8.989 1.00 32.51 S ATOM 8 CE MET A 1 4.866 0.713 7.524 1.00 5.35 C ATOM 0 H1 MET A 1 3.639 -4.527 8.986 1.00 3.01 H new ATOM 0 H2 MET A 1 2.501 -5.125 7.877 1.00 3.01 H new ATOM 0 H3 MET A 1 3.863 -4.276 7.322 1.00 3.01 H new ATOM 0 HA MET A 1 1.655 -3.176 8.961 1.00 21.14 H new ATOM 0 HB2 MET A 1 3.860 -2.153 9.456 1.00 21.22 H new ATOM 0 HB3 MET A 1 4.125 -1.860 7.749 1.00 21.22 H new ATOM 0 HG2 MET A 1 2.134 -0.353 7.721 1.00 74.11 H new ATOM 0 HG3 MET A 1 1.929 -0.618 9.441 1.00 74.11 H new ATOM 0 HE1 MET A 1 5.371 1.671 7.399 1.00 5.35 H new ATOM 0 HE2 MET A 1 5.608 -0.078 7.631 1.00 5.35 H new ATOM 0 HE3 MET A 1 4.246 0.513 6.650 1.00 5.35 H new ATOM 18 N LYS A 2 2.406 -2.844 5.749 1.00 44.32 N ATOM 19 CA LYS A 2 1.835 -2.521 4.448 1.00 63.32 C ATOM 20 C LYS A 2 1.302 -3.772 3.755 1.00 65.02 C ATOM 21 O LYS A 2 1.337 -4.871 4.310 1.00 43.34 O ATOM 22 CB LYS A 2 2.876 -1.839 3.557 1.00 13.34 C ATOM 23 CG LYS A 2 4.071 -2.715 3.215 1.00 21.54 C ATOM 24 CD LYS A 2 4.949 -2.059 2.164 1.00 65.21 C ATOM 25 CE LYS A 2 4.199 -1.863 0.855 1.00 13.52 C ATOM 26 NZ LYS A 2 5.011 -1.120 -0.144 1.00 62.35 N ATOM 0 H LYS A 2 3.388 -3.120 5.724 1.00 44.32 H new ATOM 0 HA LYS A 2 1.004 -1.836 4.613 1.00 63.32 H new ATOM 0 HB2 LYS A 2 2.395 -1.522 2.632 1.00 13.34 H new ATOM 0 HB3 LYS A 2 3.231 -0.938 4.056 1.00 13.34 H new ATOM 0 HG2 LYS A 2 4.656 -2.904 4.115 1.00 21.54 H new ATOM 0 HG3 LYS A 2 3.724 -3.682 2.851 1.00 21.54 H new ATOM 0 HD2 LYS A 2 5.300 -1.095 2.532 1.00 65.21 H new ATOM 0 HD3 LYS A 2 5.832 -2.674 1.990 1.00 65.21 H new ATOM 0 HE2 LYS A 2 3.922 -2.835 0.447 1.00 13.52 H new ATOM 0 HE3 LYS A 2 3.273 -1.321 1.045 1.00 13.52 H new ATOM 0 HZ1 LYS A 2 4.464 -1.008 -1.021 1.00 62.35 H new ATOM 0 HZ2 LYS A 2 5.255 -0.183 0.235 1.00 62.35 H new ATOM 0 HZ3 LYS A 2 5.883 -1.649 -0.345 1.00 62.35 H new ATOM 40 N GLY A 3 0.801 -3.590 2.544 1.00 62.14 N ATOM 41 CA GLY A 3 0.286 -4.700 1.775 1.00 12.23 C ATOM 42 C GLY A 3 -1.057 -4.374 1.168 1.00 12.44 C ATOM 43 O GLY A 3 -1.634 -3.324 1.460 1.00 12.35 O ATOM 0 H GLY A 3 0.742 -2.685 2.077 1.00 62.14 H new ATOM 0 HA2 GLY A 3 0.992 -4.955 0.985 1.00 12.23 H new ATOM 0 HA3 GLY A 3 0.194 -5.577 2.416 1.00 12.23 H new ATOM 47 N ASP A 4 -1.559 -5.262 0.328 1.00 42.44 N ATOM 48 CA ASP A 4 -2.849 -5.053 -0.313 1.00 64.11 C ATOM 49 C ASP A 4 -3.970 -5.419 0.656 1.00 15.11 C ATOM 50 O ASP A 4 -3.871 -6.411 1.384 1.00 5.41 O ATOM 51 CB ASP A 4 -2.957 -5.891 -1.592 1.00 13.24 C ATOM 52 CG ASP A 4 -4.114 -5.454 -2.465 1.00 70.43 C ATOM 53 OD1 ASP A 4 -5.269 -5.527 -2.005 1.00 32.24 O ATOM 54 OD2 ASP A 4 -3.871 -5.004 -3.606 1.00 75.25 O ATOM 0 H ASP A 4 -1.095 -6.134 0.073 1.00 42.44 H new ATOM 0 HA ASP A 4 -2.941 -4.002 -0.585 1.00 64.11 H new ATOM 0 HB2 ASP A 4 -2.028 -5.811 -2.156 1.00 13.24 H new ATOM 0 HB3 ASP A 4 -3.080 -6.941 -1.327 1.00 13.24 H new ATOM 59 N ILE A 5 -5.033 -4.623 0.664 1.00 43.53 N ATOM 60 CA ILE A 5 -6.117 -4.821 1.617 1.00 23.34 C ATOM 61 C ILE A 5 -6.910 -6.078 1.293 1.00 53.23 C ATOM 62 O ILE A 5 -7.500 -6.684 2.187 1.00 44.33 O ATOM 63 CB ILE A 5 -7.081 -3.612 1.670 1.00 4.32 C ATOM 64 CG1 ILE A 5 -7.787 -3.552 3.022 1.00 30.23 C ATOM 65 CG2 ILE A 5 -8.122 -3.703 0.561 1.00 14.02 C ATOM 66 CD1 ILE A 5 -6.848 -3.588 4.200 1.00 2.43 C ATOM 0 H ILE A 5 -5.167 -3.839 0.025 1.00 43.53 H new ATOM 0 HA ILE A 5 -5.647 -4.928 2.595 1.00 23.34 H new ATOM 0 HB ILE A 5 -6.491 -2.706 1.530 1.00 4.32 H new ATOM 0 HG12 ILE A 5 -8.382 -2.640 3.071 1.00 30.23 H new ATOM 0 HG13 ILE A 5 -8.481 -4.389 3.097 1.00 30.23 H new ATOM 0 HG21 ILE A 5 -8.789 -2.843 0.617 1.00 14.02 H new ATOM 0 HG22 ILE A 5 -7.622 -3.712 -0.408 1.00 14.02 H new ATOM 0 HG23 ILE A 5 -8.700 -4.619 0.679 1.00 14.02 H new ATOM 0 HD11 ILE A 5 -7.423 -3.542 5.125 1.00 2.43 H new ATOM 0 HD12 ILE A 5 -6.271 -4.512 4.177 1.00 2.43 H new ATOM 0 HD13 ILE A 5 -6.170 -2.736 4.151 1.00 2.43 H new ATOM 78 N GLU A 6 -6.901 -6.483 0.025 1.00 52.32 N ATOM 79 CA GLU A 6 -7.657 -7.655 -0.386 1.00 52.20 C ATOM 80 C GLU A 6 -7.097 -8.885 0.302 1.00 4.51 C ATOM 81 O GLU A 6 -7.828 -9.809 0.638 1.00 54.24 O ATOM 82 CB GLU A 6 -7.657 -7.842 -1.910 1.00 25.25 C ATOM 83 CG GLU A 6 -8.766 -7.080 -2.632 1.00 73.21 C ATOM 84 CD GLU A 6 -8.382 -5.668 -3.031 1.00 5.43 C ATOM 85 OE1 GLU A 6 -8.513 -4.748 -2.204 1.00 43.22 O ATOM 86 OE2 GLU A 6 -7.966 -5.470 -4.194 1.00 44.01 O ATOM 0 H GLU A 6 -6.385 -6.022 -0.724 1.00 52.32 H new ATOM 0 HA GLU A 6 -8.695 -7.507 -0.087 1.00 52.20 H new ATOM 0 HB2 GLU A 6 -6.693 -7.520 -2.305 1.00 25.25 H new ATOM 0 HB3 GLU A 6 -7.755 -8.904 -2.135 1.00 25.25 H new ATOM 0 HG2 GLU A 6 -9.052 -7.635 -3.526 1.00 73.21 H new ATOM 0 HG3 GLU A 6 -9.644 -7.039 -1.988 1.00 73.21 H new ATOM 93 N HIS A 7 -5.795 -8.870 0.541 1.00 62.01 N ATOM 94 CA HIS A 7 -5.158 -9.930 1.296 1.00 41.50 C ATOM 95 C HIS A 7 -5.657 -9.889 2.733 1.00 61.30 C ATOM 96 O HIS A 7 -6.155 -10.883 3.256 1.00 52.15 O ATOM 97 CB HIS A 7 -3.636 -9.768 1.268 1.00 32.11 C ATOM 98 CG HIS A 7 -2.884 -10.977 1.734 1.00 62.13 C ATOM 99 ND1 HIS A 7 -2.439 -11.975 0.895 1.00 73.10 N ATOM 100 CD2 HIS A 7 -2.484 -11.330 2.980 1.00 23.22 C ATOM 101 CE1 HIS A 7 -1.798 -12.884 1.639 1.00 12.43 C ATOM 102 NE2 HIS A 7 -1.796 -12.538 2.915 1.00 23.42 N ATOM 0 H HIS A 7 -5.162 -8.136 0.223 1.00 62.01 H new ATOM 0 HA HIS A 7 -5.410 -10.890 0.846 1.00 41.50 H new ATOM 0 HB2 HIS A 7 -3.325 -9.530 0.251 1.00 32.11 H new ATOM 0 HB3 HIS A 7 -3.360 -8.918 1.893 1.00 32.11 H new ATOM 0 HD2 HIS A 7 -2.670 -10.764 3.881 1.00 23.22 H new ATOM 0 HE1 HIS A 7 -1.342 -13.782 1.249 1.00 12.43 H new ATOM 0 HE2 HIS A 7 -1.377 -13.050 3.691 1.00 23.42 H new ATOM 110 N LYS A 8 -5.559 -8.707 3.338 1.00 62.24 N ATOM 111 CA LYS A 8 -5.873 -8.521 4.755 1.00 32.23 C ATOM 112 C LYS A 8 -7.315 -8.903 5.061 1.00 33.35 C ATOM 113 O LYS A 8 -7.583 -9.668 5.988 1.00 63.50 O ATOM 114 CB LYS A 8 -5.674 -7.062 5.170 1.00 45.30 C ATOM 115 CG LYS A 8 -4.488 -6.368 4.526 1.00 21.11 C ATOM 116 CD LYS A 8 -3.173 -7.031 4.881 1.00 60.24 C ATOM 117 CE LYS A 8 -2.007 -6.241 4.316 1.00 24.22 C ATOM 118 NZ LYS A 8 -0.693 -6.788 4.754 1.00 34.14 N ATOM 0 H LYS A 8 -5.261 -7.855 2.864 1.00 62.24 H new ATOM 0 HA LYS A 8 -5.196 -9.168 5.313 1.00 32.23 H new ATOM 0 HB2 LYS A 8 -6.578 -6.504 4.927 1.00 45.30 H new ATOM 0 HB3 LYS A 8 -5.556 -7.021 6.253 1.00 45.30 H new ATOM 0 HG2 LYS A 8 -4.613 -6.370 3.443 1.00 21.11 H new ATOM 0 HG3 LYS A 8 -4.464 -5.325 4.843 1.00 21.11 H new ATOM 0 HD2 LYS A 8 -3.078 -7.106 5.964 1.00 60.24 H new ATOM 0 HD3 LYS A 8 -3.155 -8.048 4.489 1.00 60.24 H new ATOM 0 HE2 LYS A 8 -2.058 -6.250 3.227 1.00 24.22 H new ATOM 0 HE3 LYS A 8 -2.089 -5.201 4.630 1.00 24.22 H new ATOM 0 HZ1 LYS A 8 0.056 -6.096 4.550 1.00 34.14 H new ATOM 0 HZ2 LYS A 8 -0.719 -6.978 5.776 1.00 34.14 H new ATOM 0 HZ3 LYS A 8 -0.497 -7.672 4.242 1.00 34.14 H new ATOM 132 N VAL A 9 -8.238 -8.354 4.282 1.00 2.14 N ATOM 133 CA VAL A 9 -9.659 -8.558 4.523 1.00 3.40 C ATOM 134 C VAL A 9 -10.035 -10.029 4.395 1.00 31.30 C ATOM 135 O VAL A 9 -10.838 -10.540 5.175 1.00 23.22 O ATOM 136 CB VAL A 9 -10.533 -7.696 3.583 1.00 44.24 C ATOM 137 CG1 VAL A 9 -10.307 -8.044 2.120 1.00 73.12 C ATOM 138 CG2 VAL A 9 -12.003 -7.826 3.944 1.00 4.30 C ATOM 0 H VAL A 9 -8.027 -7.764 3.477 1.00 2.14 H new ATOM 0 HA VAL A 9 -9.855 -8.238 5.547 1.00 3.40 H new ATOM 0 HB VAL A 9 -10.231 -6.658 3.722 1.00 44.24 H new ATOM 0 HG11 VAL A 9 -10.940 -7.415 1.494 1.00 73.12 H new ATOM 0 HG12 VAL A 9 -9.261 -7.875 1.863 1.00 73.12 H new ATOM 0 HG13 VAL A 9 -10.557 -9.092 1.952 1.00 73.12 H new ATOM 0 HG21 VAL A 9 -12.599 -7.211 3.270 1.00 4.30 H new ATOM 0 HG22 VAL A 9 -12.310 -8.868 3.851 1.00 4.30 H new ATOM 0 HG23 VAL A 9 -12.156 -7.492 4.970 1.00 4.30 H new ATOM 148 N TYR A 10 -9.435 -10.722 3.438 1.00 23.41 N ATOM 149 CA TYR A 10 -9.702 -12.140 3.280 1.00 10.42 C ATOM 150 C TYR A 10 -9.104 -12.903 4.451 1.00 31.41 C ATOM 151 O TYR A 10 -9.685 -13.871 4.918 1.00 63.21 O ATOM 152 CB TYR A 10 -9.132 -12.687 1.965 1.00 53.31 C ATOM 153 CG TYR A 10 -9.718 -12.074 0.707 1.00 52.51 C ATOM 154 CD1 TYR A 10 -10.812 -11.222 0.759 1.00 24.30 C ATOM 155 CD2 TYR A 10 -9.165 -12.350 -0.538 1.00 42.41 C ATOM 156 CE1 TYR A 10 -11.343 -10.666 -0.389 1.00 1.45 C ATOM 157 CE2 TYR A 10 -9.689 -11.798 -1.692 1.00 71.12 C ATOM 158 CZ TYR A 10 -10.777 -10.954 -1.611 1.00 24.24 C ATOM 159 OH TYR A 10 -11.303 -10.397 -2.756 1.00 65.13 O ATOM 0 H TYR A 10 -8.771 -10.331 2.770 1.00 23.41 H new ATOM 0 HA TYR A 10 -10.783 -12.275 3.255 1.00 10.42 H new ATOM 0 HB2 TYR A 10 -8.054 -12.528 1.960 1.00 53.31 H new ATOM 0 HB3 TYR A 10 -9.295 -13.764 1.936 1.00 53.31 H new ATOM 0 HD1 TYR A 10 -11.257 -10.989 1.715 1.00 24.30 H new ATOM 0 HD2 TYR A 10 -8.311 -13.007 -0.605 1.00 42.41 H new ATOM 0 HE1 TYR A 10 -12.198 -10.009 -0.328 1.00 1.45 H new ATOM 0 HE2 TYR A 10 -9.249 -12.026 -2.652 1.00 71.12 H new ATOM 0 HH TYR A 10 -10.789 -10.700 -3.533 1.00 65.13 H new ATOM 169 N GLN A 11 -7.966 -12.417 4.949 1.00 61.42 N ATOM 170 CA GLN A 11 -7.210 -13.115 5.992 1.00 31.01 C ATOM 171 C GLN A 11 -8.052 -13.377 7.235 1.00 15.44 C ATOM 172 O GLN A 11 -8.130 -14.509 7.716 1.00 1.14 O ATOM 173 CB GLN A 11 -5.944 -12.336 6.382 1.00 2.13 C ATOM 174 CG GLN A 11 -4.827 -12.402 5.355 1.00 0.14 C ATOM 175 CD GLN A 11 -4.639 -13.787 4.773 1.00 11.12 C ATOM 176 OE1 GLN A 11 -3.910 -14.612 5.320 1.00 74.31 O ATOM 177 NE2 GLN A 11 -5.276 -14.040 3.640 1.00 53.32 N ATOM 0 H GLN A 11 -7.545 -11.539 4.646 1.00 61.42 H new ATOM 0 HA GLN A 11 -6.920 -14.077 5.568 1.00 31.01 H new ATOM 0 HB2 GLN A 11 -6.210 -11.292 6.545 1.00 2.13 H new ATOM 0 HB3 GLN A 11 -5.572 -12.722 7.331 1.00 2.13 H new ATOM 0 HG2 GLN A 11 -5.041 -11.701 4.548 1.00 0.14 H new ATOM 0 HG3 GLN A 11 -3.895 -12.079 5.819 1.00 0.14 H new ATOM 0 HE21 GLN A 11 -5.872 -13.327 3.220 1.00 53.32 H new ATOM 0 HE22 GLN A 11 -5.171 -14.948 3.188 1.00 53.32 H new ATOM 186 N LEU A 12 -8.691 -12.338 7.739 1.00 12.35 N ATOM 187 CA LEU A 12 -9.455 -12.447 8.971 1.00 62.31 C ATOM 188 C LEU A 12 -10.883 -12.898 8.713 1.00 73.21 C ATOM 189 O LEU A 12 -11.410 -13.724 9.447 1.00 33.41 O ATOM 190 CB LEU A 12 -9.420 -11.128 9.753 1.00 45.33 C ATOM 191 CG LEU A 12 -9.182 -9.853 8.933 1.00 74.54 C ATOM 192 CD1 LEU A 12 -10.436 -9.439 8.181 1.00 71.25 C ATOM 193 CD2 LEU A 12 -8.710 -8.728 9.841 1.00 31.22 C ATOM 0 H LEU A 12 -8.697 -11.410 7.316 1.00 12.35 H new ATOM 0 HA LEU A 12 -8.983 -13.216 9.583 1.00 62.31 H new ATOM 0 HB2 LEU A 12 -10.366 -11.021 10.284 1.00 45.33 H new ATOM 0 HB3 LEU A 12 -8.637 -11.199 10.508 1.00 45.33 H new ATOM 0 HG LEU A 12 -8.407 -10.063 8.196 1.00 74.54 H new ATOM 0 HD11 LEU A 12 -10.235 -8.533 7.610 1.00 71.25 H new ATOM 0 HD12 LEU A 12 -10.733 -10.238 7.502 1.00 71.25 H new ATOM 0 HD13 LEU A 12 -11.240 -9.249 8.892 1.00 71.25 H new ATOM 0 HD21 LEU A 12 -8.544 -7.828 9.249 1.00 31.22 H new ATOM 0 HD22 LEU A 12 -9.468 -8.529 10.599 1.00 31.22 H new ATOM 0 HD23 LEU A 12 -7.779 -9.019 10.327 1.00 31.22 H new ATOM 205 N LEU A 13 -11.499 -12.390 7.660 1.00 74.24 N ATOM 206 CA LEU A 13 -12.890 -12.730 7.370 1.00 44.34 C ATOM 207 C LEU A 13 -13.076 -14.219 7.126 1.00 30.12 C ATOM 208 O LEU A 13 -14.018 -14.821 7.644 1.00 43.12 O ATOM 209 CB LEU A 13 -13.418 -11.947 6.179 1.00 2.52 C ATOM 210 CG LEU A 13 -13.664 -10.465 6.441 1.00 12.45 C ATOM 211 CD1 LEU A 13 -14.436 -9.860 5.286 1.00 10.32 C ATOM 212 CD2 LEU A 13 -14.415 -10.280 7.751 1.00 15.41 C ATOM 0 H LEU A 13 -11.068 -11.747 6.995 1.00 74.24 H new ATOM 0 HA LEU A 13 -13.463 -12.455 8.256 1.00 44.34 H new ATOM 0 HB2 LEU A 13 -12.709 -12.043 5.357 1.00 2.52 H new ATOM 0 HB3 LEU A 13 -14.352 -12.402 5.849 1.00 2.52 H new ATOM 0 HG LEU A 13 -12.706 -9.952 6.524 1.00 12.45 H new ATOM 0 HD11 LEU A 13 -14.609 -8.801 5.479 1.00 10.32 H new ATOM 0 HD12 LEU A 13 -13.862 -9.972 4.366 1.00 10.32 H new ATOM 0 HD13 LEU A 13 -15.393 -10.371 5.181 1.00 10.32 H new ATOM 0 HD21 LEU A 13 -14.584 -9.218 7.926 1.00 15.41 H new ATOM 0 HD22 LEU A 13 -15.374 -10.796 7.697 1.00 15.41 H new ATOM 0 HD23 LEU A 13 -13.826 -10.694 8.570 1.00 15.41 H new ATOM 224 N LYS A 14 -12.190 -14.807 6.336 1.00 21.34 N ATOM 225 CA LYS A 14 -12.248 -16.243 6.078 1.00 44.44 C ATOM 226 C LYS A 14 -12.000 -17.014 7.377 1.00 1.03 C ATOM 227 O LYS A 14 -12.540 -18.098 7.583 1.00 1.33 O ATOM 228 CB LYS A 14 -11.224 -16.658 5.008 1.00 71.04 C ATOM 229 CG LYS A 14 -9.790 -16.659 5.510 1.00 21.11 C ATOM 230 CD LYS A 14 -8.805 -17.165 4.467 1.00 22.54 C ATOM 231 CE LYS A 14 -7.376 -17.091 4.985 1.00 73.33 C ATOM 232 NZ LYS A 14 -6.392 -17.636 4.014 1.00 1.23 N ATOM 0 H LYS A 14 -11.428 -14.320 5.865 1.00 21.34 H new ATOM 0 HA LYS A 14 -13.242 -16.484 5.700 1.00 44.44 H new ATOM 0 HB2 LYS A 14 -11.474 -17.655 4.644 1.00 71.04 H new ATOM 0 HB3 LYS A 14 -11.303 -15.980 4.158 1.00 71.04 H new ATOM 0 HG2 LYS A 14 -9.512 -15.648 5.806 1.00 21.11 H new ATOM 0 HG3 LYS A 14 -9.722 -17.282 6.402 1.00 21.11 H new ATOM 0 HD2 LYS A 14 -9.047 -18.194 4.202 1.00 22.54 H new ATOM 0 HD3 LYS A 14 -8.897 -16.572 3.557 1.00 22.54 H new ATOM 0 HE2 LYS A 14 -7.126 -16.054 5.207 1.00 73.33 H new ATOM 0 HE3 LYS A 14 -7.303 -17.644 5.921 1.00 73.33 H new ATOM 0 HZ1 LYS A 14 -5.434 -17.563 4.413 1.00 1.23 H new ATOM 0 HZ2 LYS A 14 -6.612 -18.634 3.820 1.00 1.23 H new ATOM 0 HZ3 LYS A 14 -6.441 -17.093 3.129 1.00 1.23 H new ATOM 246 N ASP A 15 -11.203 -16.420 8.263 1.00 12.25 N ATOM 247 CA ASP A 15 -10.870 -17.030 9.549 1.00 34.24 C ATOM 248 C ASP A 15 -12.080 -17.049 10.464 1.00 71.22 C ATOM 249 O ASP A 15 -12.341 -18.037 11.150 1.00 2.11 O ATOM 250 CB ASP A 15 -9.735 -16.258 10.216 1.00 3.41 C ATOM 251 CG ASP A 15 -9.388 -16.790 11.592 1.00 54.45 C ATOM 252 OD1 ASP A 15 -9.089 -17.997 11.712 1.00 53.41 O ATOM 253 OD2 ASP A 15 -9.396 -15.995 12.557 1.00 14.22 O ATOM 0 H ASP A 15 -10.772 -15.508 8.111 1.00 12.25 H new ATOM 0 HA ASP A 15 -10.552 -18.057 9.368 1.00 34.24 H new ATOM 0 HB2 ASP A 15 -8.850 -16.302 9.581 1.00 3.41 H new ATOM 0 HB3 ASP A 15 -10.016 -15.208 10.298 1.00 3.41 H new ATOM 258 N GLN A 16 -12.822 -15.949 10.455 1.00 21.13 N ATOM 259 CA GLN A 16 -14.052 -15.836 11.242 1.00 54.35 C ATOM 260 C GLN A 16 -15.119 -16.792 10.719 1.00 45.22 C ATOM 261 O GLN A 16 -16.196 -16.923 11.303 1.00 63.02 O ATOM 262 CB GLN A 16 -14.603 -14.407 11.203 1.00 42.25 C ATOM 263 CG GLN A 16 -13.552 -13.337 11.347 1.00 14.41 C ATOM 264 CD GLN A 16 -14.082 -12.096 12.029 1.00 24.41 C ATOM 265 OE1 GLN A 16 -14.944 -12.165 12.905 1.00 73.51 O ATOM 266 NE2 GLN A 16 -13.597 -10.952 11.597 1.00 73.31 N ATOM 0 H GLN A 16 -12.596 -15.117 9.910 1.00 21.13 H new ATOM 0 HA GLN A 16 -13.803 -16.096 12.271 1.00 54.35 H new ATOM 0 HB2 GLN A 16 -15.130 -14.258 10.261 1.00 42.25 H new ATOM 0 HB3 GLN A 16 -15.336 -14.290 12.001 1.00 42.25 H new ATOM 0 HG2 GLN A 16 -12.712 -13.731 11.918 1.00 14.41 H new ATOM 0 HG3 GLN A 16 -13.170 -13.071 10.361 1.00 14.41 H new ATOM 0 HE21 GLN A 16 -12.883 -10.943 10.869 1.00 73.31 H new ATOM 0 HE22 GLN A 16 -13.935 -10.074 11.990 1.00 73.31 H new ATOM 275 N GLY A 17 -14.820 -17.442 9.606 1.00 44.50 N ATOM 276 CA GLY A 17 -15.756 -18.360 9.013 1.00 12.41 C ATOM 277 C GLY A 17 -16.676 -17.660 8.048 1.00 51.24 C ATOM 278 O GLY A 17 -17.850 -18.004 7.934 1.00 55.45 O ATOM 0 H GLY A 17 -13.938 -17.346 9.103 1.00 44.50 H new ATOM 0 HA2 GLY A 17 -15.214 -19.150 8.493 1.00 12.41 H new ATOM 0 HA3 GLY A 17 -16.344 -18.839 9.796 1.00 12.41 H new ATOM 282 N CYS A 18 -16.160 -16.642 7.375 1.00 22.13 N ATOM 283 CA CYS A 18 -16.952 -15.930 6.395 1.00 22.34 C ATOM 284 C CYS A 18 -16.496 -16.255 4.979 1.00 52.31 C ATOM 285 O CYS A 18 -15.302 -16.258 4.691 1.00 31.13 O ATOM 286 CB CYS A 18 -16.856 -14.419 6.615 1.00 33.43 C ATOM 287 SG CYS A 18 -18.180 -13.482 5.787 1.00 61.31 S ATOM 0 H CYS A 18 -15.207 -16.297 7.490 1.00 22.13 H new ATOM 0 HA CYS A 18 -17.986 -16.251 6.519 1.00 22.34 H new ATOM 0 HB2 CYS A 18 -16.889 -14.212 7.685 1.00 33.43 H new ATOM 0 HB3 CYS A 18 -15.890 -14.067 6.252 1.00 33.43 H new ATOM 292 N GLU A 19 -17.448 -16.547 4.105 1.00 23.34 N ATOM 293 CA GLU A 19 -17.177 -16.577 2.676 1.00 43.42 C ATOM 294 C GLU A 19 -18.279 -15.826 1.942 1.00 22.03 C ATOM 295 O GLU A 19 -19.114 -16.417 1.263 1.00 64.21 O ATOM 296 CB GLU A 19 -17.045 -18.005 2.136 1.00 63.12 C ATOM 297 CG GLU A 19 -16.648 -18.044 0.665 1.00 12.30 C ATOM 298 CD GLU A 19 -16.482 -19.448 0.128 1.00 52.30 C ATOM 299 OE1 GLU A 19 -15.372 -20.009 0.250 1.00 40.32 O ATOM 300 OE2 GLU A 19 -17.455 -19.991 -0.435 1.00 43.22 O ATOM 0 H GLU A 19 -18.411 -16.766 4.359 1.00 23.34 H new ATOM 0 HA GLU A 19 -16.217 -16.090 2.504 1.00 43.42 H new ATOM 0 HB2 GLU A 19 -16.301 -18.544 2.723 1.00 63.12 H new ATOM 0 HB3 GLU A 19 -17.993 -18.527 2.266 1.00 63.12 H new ATOM 0 HG2 GLU A 19 -17.405 -17.525 0.077 1.00 12.30 H new ATOM 0 HG3 GLU A 19 -15.713 -17.499 0.533 1.00 12.30 H new ATOM 307 N ASP A 20 -18.306 -14.519 2.140 1.00 63.43 N ATOM 308 CA ASP A 20 -19.284 -13.664 1.483 1.00 74.23 C ATOM 309 C ASP A 20 -18.776 -12.229 1.478 1.00 32.45 C ATOM 310 O ASP A 20 -19.179 -11.407 2.308 1.00 4.34 O ATOM 311 CB ASP A 20 -20.643 -13.756 2.188 1.00 45.43 C ATOM 312 CG ASP A 20 -21.772 -13.157 1.374 1.00 24.32 C ATOM 313 OD1 ASP A 20 -22.250 -13.824 0.433 1.00 1.30 O ATOM 314 OD2 ASP A 20 -22.206 -12.029 1.679 1.00 33.04 O ATOM 0 H ASP A 20 -17.659 -14.023 2.753 1.00 63.43 H new ATOM 0 HA ASP A 20 -19.419 -13.999 0.455 1.00 74.23 H new ATOM 0 HB2 ASP A 20 -20.868 -14.802 2.397 1.00 45.43 H new ATOM 0 HB3 ASP A 20 -20.584 -13.244 3.149 1.00 45.43 H new ATOM 319 N PHE A 21 -17.833 -11.962 0.583 1.00 61.21 N ATOM 320 CA PHE A 21 -17.184 -10.660 0.496 1.00 63.52 C ATOM 321 C PHE A 21 -16.306 -10.578 -0.749 1.00 43.30 C ATOM 322 O PHE A 21 -15.737 -11.581 -1.187 1.00 54.12 O ATOM 323 CB PHE A 21 -16.348 -10.373 1.759 1.00 21.32 C ATOM 324 CG PHE A 21 -15.444 -11.501 2.208 1.00 44.34 C ATOM 325 CD1 PHE A 21 -14.156 -11.630 1.713 1.00 72.43 C ATOM 326 CD2 PHE A 21 -15.880 -12.416 3.152 1.00 64.02 C ATOM 327 CE1 PHE A 21 -13.324 -12.647 2.152 1.00 31.51 C ATOM 328 CE2 PHE A 21 -15.056 -13.437 3.588 1.00 0.44 C ATOM 329 CZ PHE A 21 -13.774 -13.553 3.090 1.00 23.32 C ATOM 0 H PHE A 21 -17.497 -12.640 -0.101 1.00 61.21 H new ATOM 0 HA PHE A 21 -17.964 -9.902 0.423 1.00 63.52 H new ATOM 0 HB2 PHE A 21 -15.736 -9.490 1.576 1.00 21.32 H new ATOM 0 HB3 PHE A 21 -17.027 -10.127 2.576 1.00 21.32 H new ATOM 0 HD1 PHE A 21 -13.796 -10.928 0.975 1.00 72.43 H new ATOM 0 HD2 PHE A 21 -16.879 -12.331 3.554 1.00 64.02 H new ATOM 0 HE1 PHE A 21 -12.321 -12.731 1.759 1.00 31.51 H new ATOM 0 HE2 PHE A 21 -15.416 -14.145 4.320 1.00 0.44 H new ATOM 0 HZ PHE A 21 -13.128 -14.348 3.432 1.00 23.32 H new ATOM 339 N GLY A 22 -16.206 -9.382 -1.315 1.00 65.05 N ATOM 340 CA GLY A 22 -15.401 -9.176 -2.504 1.00 11.22 C ATOM 341 C GLY A 22 -15.353 -7.715 -2.909 1.00 53.12 C ATOM 342 O GLY A 22 -16.117 -6.901 -2.392 1.00 2.21 O ATOM 0 H GLY A 22 -16.673 -8.544 -0.968 1.00 65.05 H new ATOM 0 HA2 GLY A 22 -14.388 -9.536 -2.323 1.00 11.22 H new ATOM 0 HA3 GLY A 22 -15.808 -9.767 -3.325 1.00 11.22 H new ATOM 346 N THR A 23 -14.457 -7.375 -3.823 1.00 53.34 N ATOM 347 CA THR A 23 -14.323 -6.000 -4.279 1.00 70.24 C ATOM 348 C THR A 23 -15.067 -5.782 -5.590 1.00 51.12 C ATOM 349 O THR A 23 -14.986 -6.605 -6.504 1.00 71.32 O ATOM 350 CB THR A 23 -12.842 -5.614 -4.464 1.00 32.31 C ATOM 351 OG1 THR A 23 -12.138 -6.662 -5.149 1.00 24.33 O ATOM 352 CG2 THR A 23 -12.179 -5.343 -3.125 1.00 70.23 C ATOM 0 H THR A 23 -13.812 -8.032 -4.263 1.00 53.34 H new ATOM 0 HA THR A 23 -14.761 -5.364 -3.510 1.00 70.24 H new ATOM 0 HB THR A 23 -12.803 -4.703 -5.061 1.00 32.31 H new ATOM 0 HG1 THR A 23 -11.199 -6.405 -5.263 1.00 24.33 H new ATOM 0 HG21 THR A 23 -11.135 -5.073 -3.284 1.00 70.23 H new ATOM 0 HG22 THR A 23 -12.694 -4.523 -2.623 1.00 70.23 H new ATOM 0 HG23 THR A 23 -12.232 -6.238 -2.505 1.00 70.23 H new ATOM 360 N LYS A 24 -15.800 -4.683 -5.676 1.00 4.33 N ATOM 361 CA LYS A 24 -16.497 -4.342 -6.902 1.00 21.41 C ATOM 362 C LYS A 24 -15.807 -3.153 -7.558 1.00 72.15 C ATOM 363 O LYS A 24 -15.512 -2.148 -6.905 1.00 13.53 O ATOM 364 CB LYS A 24 -17.993 -4.058 -6.639 1.00 32.34 C ATOM 365 CG LYS A 24 -18.309 -2.700 -6.017 1.00 62.14 C ATOM 366 CD LYS A 24 -18.776 -1.696 -7.064 1.00 0.35 C ATOM 367 CE LYS A 24 -19.147 -0.362 -6.435 1.00 52.30 C ATOM 368 NZ LYS A 24 -19.648 0.609 -7.441 1.00 54.30 N ATOM 0 H LYS A 24 -15.926 -4.016 -4.915 1.00 4.33 H new ATOM 0 HA LYS A 24 -16.457 -5.192 -7.583 1.00 21.41 H new ATOM 0 HB2 LYS A 24 -18.531 -4.138 -7.584 1.00 32.34 H new ATOM 0 HB3 LYS A 24 -18.382 -4.837 -5.983 1.00 32.34 H new ATOM 0 HG2 LYS A 24 -19.081 -2.819 -5.257 1.00 62.14 H new ATOM 0 HG3 LYS A 24 -17.422 -2.315 -5.514 1.00 62.14 H new ATOM 0 HD2 LYS A 24 -17.987 -1.545 -7.801 1.00 0.35 H new ATOM 0 HD3 LYS A 24 -19.637 -2.099 -7.597 1.00 0.35 H new ATOM 0 HE2 LYS A 24 -19.910 -0.521 -5.673 1.00 52.30 H new ATOM 0 HE3 LYS A 24 -18.275 0.056 -5.931 1.00 52.30 H new ATOM 0 HZ1 LYS A 24 -20.136 1.389 -6.957 1.00 54.30 H new ATOM 0 HZ2 LYS A 24 -18.848 0.987 -7.987 1.00 54.30 H new ATOM 0 HZ3 LYS A 24 -20.311 0.131 -8.084 1.00 54.30 H new ATOM 382 N CYS A 25 -15.511 -3.289 -8.835 1.00 43.01 N ATOM 383 CA CYS A 25 -14.857 -2.228 -9.571 1.00 44.13 C ATOM 384 C CYS A 25 -15.625 -1.910 -10.844 1.00 3.31 C ATOM 385 O CYS A 25 -15.655 -2.701 -11.785 1.00 54.11 O ATOM 386 CB CYS A 25 -13.405 -2.605 -9.882 1.00 52.21 C ATOM 387 SG CYS A 25 -13.185 -4.283 -10.525 1.00 34.30 S ATOM 0 H CYS A 25 -15.713 -4.124 -9.384 1.00 43.01 H new ATOM 0 HA CYS A 25 -14.846 -1.331 -8.952 1.00 44.13 H new ATOM 0 HB2 CYS A 25 -13.007 -1.896 -10.608 1.00 52.21 H new ATOM 0 HB3 CYS A 25 -12.813 -2.497 -8.973 1.00 52.21 H new ATOM 0 HG CYS A 25 -11.924 -4.497 -10.756 1.00 34.30 H new ATOM 393 N VAL A 26 -16.274 -0.760 -10.848 1.00 14.14 N ATOM 394 CA VAL A 26 -17.034 -0.318 -12.003 1.00 63.53 C ATOM 395 C VAL A 26 -16.836 1.177 -12.201 1.00 73.54 C ATOM 396 O VAL A 26 -16.707 1.924 -11.233 1.00 30.33 O ATOM 397 CB VAL A 26 -18.541 -0.642 -11.849 1.00 63.34 C ATOM 398 CG1 VAL A 26 -19.132 0.058 -10.637 1.00 13.04 C ATOM 399 CG2 VAL A 26 -19.310 -0.272 -13.108 1.00 11.43 C ATOM 0 H VAL A 26 -16.290 -0.112 -10.060 1.00 14.14 H new ATOM 0 HA VAL A 26 -16.669 -0.855 -12.878 1.00 63.53 H new ATOM 0 HB VAL A 26 -18.633 -1.717 -11.697 1.00 63.34 H new ATOM 0 HG11 VAL A 26 -20.191 -0.188 -10.555 1.00 13.04 H new ATOM 0 HG12 VAL A 26 -18.612 -0.271 -9.737 1.00 13.04 H new ATOM 0 HG13 VAL A 26 -19.018 1.136 -10.748 1.00 13.04 H new ATOM 0 HG21 VAL A 26 -20.365 -0.510 -12.973 1.00 11.43 H new ATOM 0 HG22 VAL A 26 -19.200 0.795 -13.301 1.00 11.43 H new ATOM 0 HG23 VAL A 26 -18.916 -0.836 -13.954 1.00 11.43 H new ATOM 409 N ILE A 27 -16.780 1.608 -13.445 1.00 64.00 N ATOM 410 CA ILE A 27 -16.582 3.012 -13.744 1.00 33.43 C ATOM 411 C ILE A 27 -17.899 3.781 -13.670 1.00 1.32 C ATOM 412 O ILE A 27 -18.916 3.357 -14.227 1.00 3.11 O ATOM 413 CB ILE A 27 -15.951 3.209 -15.134 1.00 63.44 C ATOM 414 CG1 ILE A 27 -14.521 2.669 -15.152 1.00 21.34 C ATOM 415 CG2 ILE A 27 -15.972 4.676 -15.522 1.00 25.52 C ATOM 416 CD1 ILE A 27 -13.847 2.791 -16.502 1.00 14.04 C ATOM 0 H ILE A 27 -16.869 1.007 -14.264 1.00 64.00 H new ATOM 0 HA ILE A 27 -15.898 3.404 -12.991 1.00 33.43 H new ATOM 0 HB ILE A 27 -16.538 2.652 -15.864 1.00 63.44 H new ATOM 0 HG12 ILE A 27 -13.929 3.205 -14.410 1.00 21.34 H new ATOM 0 HG13 ILE A 27 -14.533 1.621 -14.854 1.00 21.34 H new ATOM 0 HG21 ILE A 27 -15.522 4.798 -16.507 1.00 25.52 H new ATOM 0 HG22 ILE A 27 -17.002 5.031 -15.547 1.00 25.52 H new ATOM 0 HG23 ILE A 27 -15.407 5.254 -14.791 1.00 25.52 H new ATOM 0 HD11 ILE A 27 -12.836 2.389 -16.442 1.00 14.04 H new ATOM 0 HD12 ILE A 27 -14.416 2.232 -17.245 1.00 14.04 H new ATOM 0 HD13 ILE A 27 -13.803 3.840 -16.793 1.00 14.04 H new ATOM 428 N GLU A 28 -17.863 4.907 -12.981 1.00 32.34 N ATOM 429 CA GLU A 28 -19.002 5.794 -12.884 1.00 2.13 C ATOM 430 C GLU A 28 -18.678 7.098 -13.596 1.00 51.51 C ATOM 431 O GLU A 28 -17.932 7.936 -13.084 1.00 31.11 O ATOM 432 CB GLU A 28 -19.362 6.051 -11.419 1.00 4.12 C ATOM 433 CG GLU A 28 -19.761 4.794 -10.669 1.00 3.03 C ATOM 434 CD GLU A 28 -20.419 5.088 -9.335 1.00 35.11 C ATOM 435 OE1 GLU A 28 -19.909 5.937 -8.579 1.00 20.11 O ATOM 436 OE2 GLU A 28 -21.444 4.448 -9.017 1.00 42.44 O ATOM 0 H GLU A 28 -17.040 5.231 -12.473 1.00 32.34 H new ATOM 0 HA GLU A 28 -19.865 5.329 -13.360 1.00 2.13 H new ATOM 0 HB2 GLU A 28 -18.510 6.509 -10.918 1.00 4.12 H new ATOM 0 HB3 GLU A 28 -20.182 6.768 -11.374 1.00 4.12 H new ATOM 0 HG2 GLU A 28 -20.445 4.211 -11.285 1.00 3.03 H new ATOM 0 HG3 GLU A 28 -18.876 4.179 -10.505 1.00 3.03 H new ATOM 443 N GLU A 29 -19.197 7.235 -14.802 1.00 12.11 N ATOM 444 CA GLU A 29 -18.959 8.418 -15.612 1.00 21.42 C ATOM 445 C GLU A 29 -19.752 9.601 -15.069 1.00 14.21 C ATOM 446 O GLU A 29 -20.934 9.479 -14.743 1.00 64.15 O ATOM 447 CB GLU A 29 -19.312 8.146 -17.087 1.00 62.15 C ATOM 448 CG GLU A 29 -20.805 7.991 -17.389 1.00 24.10 C ATOM 449 CD GLU A 29 -21.502 6.939 -16.540 1.00 14.32 C ATOM 450 OE1 GLU A 29 -20.965 5.817 -16.401 1.00 14.44 O ATOM 451 OE2 GLU A 29 -22.589 7.237 -16.002 1.00 53.11 O ATOM 0 H GLU A 29 -19.792 6.535 -15.246 1.00 12.11 H new ATOM 0 HA GLU A 29 -17.899 8.667 -15.561 1.00 21.42 H new ATOM 0 HB2 GLU A 29 -18.919 8.962 -17.693 1.00 62.15 H new ATOM 0 HB3 GLU A 29 -18.799 7.238 -17.404 1.00 62.15 H new ATOM 0 HG2 GLU A 29 -21.298 8.951 -17.236 1.00 24.10 H new ATOM 0 HG3 GLU A 29 -20.928 7.734 -18.441 1.00 24.10 H new ATOM 458 N VAL A 30 -19.100 10.742 -14.954 1.00 20.22 N ATOM 459 CA VAL A 30 -19.752 11.920 -14.422 1.00 30.32 C ATOM 460 C VAL A 30 -20.263 12.797 -15.555 1.00 61.34 C ATOM 461 O VAL A 30 -19.564 13.696 -16.030 1.00 14.32 O ATOM 462 CB VAL A 30 -18.808 12.735 -13.510 1.00 73.00 C ATOM 463 CG1 VAL A 30 -19.526 13.935 -12.909 1.00 52.33 C ATOM 464 CG2 VAL A 30 -18.242 11.851 -12.412 1.00 11.50 C ATOM 0 H VAL A 30 -18.125 10.877 -15.221 1.00 20.22 H new ATOM 0 HA VAL A 30 -20.593 11.583 -13.816 1.00 30.32 H new ATOM 0 HB VAL A 30 -17.985 13.107 -14.121 1.00 73.00 H new ATOM 0 HG11 VAL A 30 -18.837 14.490 -12.272 1.00 52.33 H new ATOM 0 HG12 VAL A 30 -19.883 14.584 -13.709 1.00 52.33 H new ATOM 0 HG13 VAL A 30 -20.373 13.592 -12.315 1.00 52.33 H new ATOM 0 HG21 VAL A 30 -17.579 12.439 -11.777 1.00 11.50 H new ATOM 0 HG22 VAL A 30 -19.058 11.450 -11.811 1.00 11.50 H new ATOM 0 HG23 VAL A 30 -17.682 11.029 -12.859 1.00 11.50 H new ATOM 474 N LYS A 31 -21.472 12.511 -16.018 1.00 22.33 N ATOM 475 CA LYS A 31 -22.083 13.324 -17.053 1.00 45.31 C ATOM 476 C LYS A 31 -22.695 14.579 -16.447 1.00 31.33 C ATOM 477 O LYS A 31 -23.900 14.664 -16.223 1.00 3.33 O ATOM 478 CB LYS A 31 -23.115 12.535 -17.880 1.00 1.14 C ATOM 479 CG LYS A 31 -23.847 11.425 -17.131 1.00 2.43 C ATOM 480 CD LYS A 31 -24.924 10.798 -18.011 1.00 74.15 C ATOM 481 CE LYS A 31 -25.532 9.545 -17.390 1.00 61.32 C ATOM 482 NZ LYS A 31 -24.594 8.388 -17.423 1.00 41.31 N ATOM 0 H LYS A 31 -22.042 11.729 -15.695 1.00 22.33 H new ATOM 0 HA LYS A 31 -21.297 13.623 -17.746 1.00 45.31 H new ATOM 0 HB2 LYS A 31 -23.854 13.235 -18.270 1.00 1.14 H new ATOM 0 HB3 LYS A 31 -22.607 12.096 -18.739 1.00 1.14 H new ATOM 0 HG2 LYS A 31 -23.136 10.661 -16.818 1.00 2.43 H new ATOM 0 HG3 LYS A 31 -24.300 11.828 -16.225 1.00 2.43 H new ATOM 0 HD2 LYS A 31 -25.712 11.529 -18.191 1.00 74.15 H new ATOM 0 HD3 LYS A 31 -24.495 10.547 -18.981 1.00 74.15 H new ATOM 0 HE2 LYS A 31 -25.813 9.753 -16.358 1.00 61.32 H new ATOM 0 HE3 LYS A 31 -26.446 9.284 -17.923 1.00 61.32 H new ATOM 0 HZ1 LYS A 31 -25.131 7.510 -17.573 1.00 41.31 H new ATOM 0 HZ2 LYS A 31 -23.914 8.515 -18.200 1.00 41.31 H new ATOM 0 HZ3 LYS A 31 -24.081 8.331 -16.520 1.00 41.31 H new ATOM 496 N SER A 32 -21.827 15.533 -16.142 1.00 14.23 N ATOM 497 CA SER A 32 -22.234 16.811 -15.581 1.00 25.00 C ATOM 498 C SER A 32 -22.276 17.867 -16.681 1.00 1.42 C ATOM 499 O SER A 32 -22.469 19.057 -16.420 1.00 22.10 O ATOM 500 CB SER A 32 -21.252 17.224 -14.479 1.00 31.33 C ATOM 501 OG SER A 32 -21.680 18.397 -13.805 1.00 31.31 O ATOM 0 H SER A 32 -20.820 15.442 -16.277 1.00 14.23 H new ATOM 0 HA SER A 32 -23.230 16.719 -15.148 1.00 25.00 H new ATOM 0 HB2 SER A 32 -21.147 16.410 -13.762 1.00 31.33 H new ATOM 0 HB3 SER A 32 -20.267 17.394 -14.914 1.00 31.33 H new ATOM 0 HG SER A 32 -21.953 19.071 -14.462 1.00 31.31 H new ATOM 507 N SER A 33 -22.093 17.420 -17.911 1.00 62.54 N ATOM 508 CA SER A 33 -22.077 18.311 -19.053 1.00 53.43 C ATOM 509 C SER A 33 -23.339 18.110 -19.885 1.00 33.22 C ATOM 510 O SER A 33 -24.282 17.447 -19.443 1.00 60.34 O ATOM 511 CB SER A 33 -20.824 18.053 -19.899 1.00 73.33 C ATOM 512 OG SER A 33 -20.654 19.051 -20.892 1.00 13.52 O ATOM 0 H SER A 33 -21.953 16.437 -18.143 1.00 62.54 H new ATOM 0 HA SER A 33 -22.053 19.344 -18.705 1.00 53.43 H new ATOM 0 HB2 SER A 33 -19.946 18.027 -19.253 1.00 73.33 H new ATOM 0 HB3 SER A 33 -20.899 17.075 -20.374 1.00 73.33 H new ATOM 0 HG SER A 33 -19.847 18.860 -21.413 1.00 13.52 H new ATOM 518 N HIS A 34 -23.355 18.685 -21.076 1.00 21.05 N ATOM 519 CA HIS A 34 -24.484 18.541 -21.979 1.00 14.43 C ATOM 520 C HIS A 34 -24.502 17.144 -22.597 1.00 74.12 C ATOM 521 O HIS A 34 -23.482 16.449 -22.619 1.00 43.13 O ATOM 522 CB HIS A 34 -24.466 19.631 -23.063 1.00 11.22 C ATOM 523 CG HIS A 34 -23.100 19.988 -23.573 1.00 70.14 C ATOM 524 ND1 HIS A 34 -22.490 19.379 -24.644 1.00 65.11 N ATOM 525 CD2 HIS A 34 -22.230 20.931 -23.134 1.00 65.03 C ATOM 526 CE1 HIS A 34 -21.293 19.952 -24.816 1.00 30.33 C ATOM 527 NE2 HIS A 34 -21.087 20.902 -23.927 1.00 74.11 N ATOM 0 H HIS A 34 -22.595 19.259 -21.441 1.00 21.05 H new ATOM 0 HA HIS A 34 -25.401 18.666 -21.403 1.00 14.43 H new ATOM 0 HB2 HIS A 34 -25.077 19.299 -23.903 1.00 11.22 H new ATOM 0 HB3 HIS A 34 -24.936 20.530 -22.663 1.00 11.22 H new ATOM 0 HD2 HIS A 34 -22.398 21.598 -22.301 1.00 65.03 H new ATOM 0 HE1 HIS A 34 -20.587 19.672 -25.584 1.00 30.33 H new ATOM 0 HE2 HIS A 34 -20.261 21.494 -23.838 1.00 74.11 H new ATOM 535 N LYS A 35 -25.666 16.746 -23.097 1.00 23.24 N ATOM 536 CA LYS A 35 -25.886 15.382 -23.563 1.00 51.31 C ATOM 537 C LYS A 35 -25.018 15.044 -24.763 1.00 65.23 C ATOM 538 O LYS A 35 -24.636 15.919 -25.540 1.00 62.15 O ATOM 539 CB LYS A 35 -27.350 15.176 -23.937 1.00 40.01 C ATOM 540 CG LYS A 35 -28.307 15.308 -22.766 1.00 42.34 C ATOM 541 CD LYS A 35 -29.753 15.311 -23.231 1.00 3.32 C ATOM 542 CE LYS A 35 -30.718 15.346 -22.058 1.00 14.51 C ATOM 543 NZ LYS A 35 -30.462 16.497 -21.153 1.00 50.03 N ATOM 0 H LYS A 35 -26.479 17.355 -23.191 1.00 23.24 H new ATOM 0 HA LYS A 35 -25.613 14.719 -22.742 1.00 51.31 H new ATOM 0 HB2 LYS A 35 -27.625 15.902 -24.702 1.00 40.01 H new ATOM 0 HB3 LYS A 35 -27.466 14.187 -24.379 1.00 40.01 H new ATOM 0 HG2 LYS A 35 -28.149 14.484 -22.070 1.00 42.34 H new ATOM 0 HG3 LYS A 35 -28.096 16.229 -22.223 1.00 42.34 H new ATOM 0 HD2 LYS A 35 -29.928 16.175 -23.872 1.00 3.32 H new ATOM 0 HD3 LYS A 35 -29.944 14.423 -23.833 1.00 3.32 H new ATOM 0 HE2 LYS A 35 -31.740 15.401 -22.432 1.00 14.51 H new ATOM 0 HE3 LYS A 35 -30.635 14.417 -21.494 1.00 14.51 H new ATOM 0 HZ1 LYS A 35 -31.248 16.590 -20.479 1.00 50.03 H new ATOM 0 HZ2 LYS A 35 -29.576 16.339 -20.632 1.00 50.03 H new ATOM 0 HZ3 LYS A 35 -30.382 17.369 -21.714 1.00 50.03 H new ATOM 557 N THR A 36 -24.724 13.767 -24.912 1.00 43.11 N ATOM 558 CA THR A 36 -23.958 13.290 -26.038 1.00 5.13 C ATOM 559 C THR A 36 -24.873 12.897 -27.186 1.00 34.32 C ATOM 560 O THR A 36 -25.840 12.157 -27.001 1.00 53.20 O ATOM 561 CB THR A 36 -23.083 12.099 -25.632 1.00 62.41 C ATOM 562 OG1 THR A 36 -23.773 11.279 -24.680 1.00 14.24 O ATOM 563 CG2 THR A 36 -21.778 12.585 -25.042 1.00 20.13 C ATOM 0 H THR A 36 -25.009 13.038 -24.258 1.00 43.11 H new ATOM 0 HA THR A 36 -23.311 14.101 -26.372 1.00 5.13 H new ATOM 0 HB THR A 36 -22.870 11.506 -26.521 1.00 62.41 H new ATOM 0 HG1 THR A 36 -23.205 10.521 -24.429 1.00 14.24 H new ATOM 0 HG21 THR A 36 -21.166 11.729 -24.758 1.00 20.13 H new ATOM 0 HG22 THR A 36 -21.245 13.183 -25.781 1.00 20.13 H new ATOM 0 HG23 THR A 36 -21.981 13.194 -24.161 1.00 20.13 H new ATOM 571 N LEU A 37 -24.574 13.410 -28.365 1.00 13.31 N ATOM 572 CA LEU A 37 -25.366 13.126 -29.547 1.00 21.30 C ATOM 573 C LEU A 37 -24.442 12.728 -30.691 1.00 11.34 C ATOM 574 O LEU A 37 -24.500 13.283 -31.790 1.00 3.00 O ATOM 575 CB LEU A 37 -26.212 14.349 -29.919 1.00 63.41 C ATOM 576 CG LEU A 37 -27.293 14.109 -30.975 1.00 10.24 C ATOM 577 CD1 LEU A 37 -28.285 13.056 -30.501 1.00 60.23 C ATOM 578 CD2 LEU A 37 -28.008 15.411 -31.296 1.00 54.13 C ATOM 0 H LEU A 37 -23.782 14.031 -28.530 1.00 13.31 H new ATOM 0 HA LEU A 37 -26.045 12.298 -29.345 1.00 21.30 H new ATOM 0 HB2 LEU A 37 -26.690 14.726 -29.015 1.00 63.41 H new ATOM 0 HB3 LEU A 37 -25.546 15.133 -30.279 1.00 63.41 H new ATOM 0 HG LEU A 37 -26.816 13.739 -31.883 1.00 10.24 H new ATOM 0 HD11 LEU A 37 -29.045 12.901 -31.267 1.00 60.23 H new ATOM 0 HD12 LEU A 37 -27.760 12.119 -30.316 1.00 60.23 H new ATOM 0 HD13 LEU A 37 -28.761 13.393 -29.580 1.00 60.23 H new ATOM 0 HD21 LEU A 37 -28.775 15.229 -32.049 1.00 54.13 H new ATOM 0 HD22 LEU A 37 -28.473 15.803 -30.392 1.00 54.13 H new ATOM 0 HD23 LEU A 37 -27.289 16.136 -31.678 1.00 54.13 H new ATOM 590 N LEU A 38 -23.582 11.761 -30.409 1.00 54.01 N ATOM 591 CA LEU A 38 -22.650 11.248 -31.398 1.00 5.42 C ATOM 592 C LEU A 38 -22.858 9.748 -31.555 1.00 54.14 C ATOM 593 O LEU A 38 -23.906 9.226 -31.172 1.00 13.21 O ATOM 594 CB LEU A 38 -21.183 11.566 -31.019 1.00 53.22 C ATOM 595 CG LEU A 38 -20.608 10.869 -29.775 1.00 40.32 C ATOM 596 CD1 LEU A 38 -19.090 10.888 -29.818 1.00 22.50 C ATOM 597 CD2 LEU A 38 -21.089 11.551 -28.514 1.00 73.02 C ATOM 0 H LEU A 38 -23.511 11.314 -29.495 1.00 54.01 H new ATOM 0 HA LEU A 38 -22.846 11.742 -32.350 1.00 5.42 H new ATOM 0 HB2 LEU A 38 -20.552 11.311 -31.870 1.00 53.22 H new ATOM 0 HB3 LEU A 38 -21.099 12.643 -30.871 1.00 53.22 H new ATOM 0 HG LEU A 38 -20.955 9.836 -29.771 1.00 40.32 H new ATOM 0 HD11 LEU A 38 -18.695 10.392 -28.932 1.00 22.50 H new ATOM 0 HD12 LEU A 38 -18.745 10.366 -30.711 1.00 22.50 H new ATOM 0 HD13 LEU A 38 -18.740 11.920 -29.843 1.00 22.50 H new ATOM 0 HD21 LEU A 38 -20.672 11.044 -27.644 1.00 73.02 H new ATOM 0 HD22 LEU A 38 -20.765 12.592 -28.517 1.00 73.02 H new ATOM 0 HD23 LEU A 38 -22.177 11.510 -28.471 1.00 73.02 H new ATOM 609 N ASN A 39 -21.877 9.080 -32.150 1.00 73.31 N ATOM 610 CA ASN A 39 -21.887 7.628 -32.321 1.00 74.54 C ATOM 611 C ASN A 39 -22.319 6.919 -31.041 1.00 43.12 C ATOM 612 O ASN A 39 -23.397 6.334 -30.969 1.00 32.34 O ATOM 613 CB ASN A 39 -20.482 7.170 -32.699 1.00 71.25 C ATOM 614 CG ASN A 39 -20.368 5.664 -32.874 1.00 63.11 C ATOM 615 OD1 ASN A 39 -21.403 5.039 -33.413 1.00 33.13 O flip ATOM 616 ND2 ASN A 39 -19.342 5.072 -32.543 1.00 42.33 N flip ATOM 0 H ASN A 39 -21.045 9.532 -32.531 1.00 73.31 H new ATOM 0 HA ASN A 39 -22.601 7.375 -33.105 1.00 74.54 H new ATOM 0 HB2 ASN A 39 -20.184 7.660 -33.626 1.00 71.25 H new ATOM 0 HB3 ASN A 39 -19.782 7.493 -31.929 1.00 71.25 H new ATOM 0 HD21 ASN A 39 -18.565 5.589 -32.131 1.00 42.33 H new ATOM 0 HD22 ASN A 39 -19.268 4.064 -32.681 1.00 42.33 H new ATOM 623 N THR A 40 -21.451 6.968 -30.052 1.00 45.12 N ATOM 624 CA THR A 40 -21.730 6.435 -28.734 1.00 75.23 C ATOM 625 C THR A 40 -21.673 7.581 -27.739 1.00 53.32 C ATOM 626 O THR A 40 -21.953 8.720 -28.101 1.00 61.12 O ATOM 627 CB THR A 40 -20.683 5.366 -28.366 1.00 64.11 C ATOM 628 OG1 THR A 40 -19.632 5.361 -29.347 1.00 2.21 O ATOM 629 CG2 THR A 40 -21.314 3.986 -28.295 1.00 22.22 C ATOM 0 H THR A 40 -20.523 7.383 -30.141 1.00 45.12 H new ATOM 0 HA THR A 40 -22.716 5.970 -28.717 1.00 75.23 H new ATOM 0 HB THR A 40 -20.275 5.611 -27.385 1.00 64.11 H new ATOM 0 HG1 THR A 40 -18.967 4.682 -29.110 1.00 2.21 H new ATOM 0 HG21 THR A 40 -20.553 3.251 -28.034 1.00 22.22 H new ATOM 0 HG22 THR A 40 -22.097 3.983 -27.537 1.00 22.22 H new ATOM 0 HG23 THR A 40 -21.745 3.733 -29.263 1.00 22.22 H new ATOM 637 N GLU A 41 -21.329 7.304 -26.497 1.00 40.05 N ATOM 638 CA GLU A 41 -20.967 8.369 -25.595 1.00 40.04 C ATOM 639 C GLU A 41 -19.459 8.565 -25.659 1.00 52.31 C ATOM 640 O GLU A 41 -18.682 7.648 -25.377 1.00 10.24 O ATOM 641 CB GLU A 41 -21.433 8.109 -24.163 1.00 70.04 C ATOM 642 CG GLU A 41 -20.843 6.872 -23.528 1.00 42.42 C ATOM 643 CD GLU A 41 -21.617 5.613 -23.853 1.00 31.22 C ATOM 644 OE1 GLU A 41 -21.350 4.998 -24.907 1.00 54.40 O ATOM 645 OE2 GLU A 41 -22.498 5.232 -23.053 1.00 60.31 O ATOM 0 H GLU A 41 -21.294 6.366 -26.098 1.00 40.05 H new ATOM 0 HA GLU A 41 -21.475 9.281 -25.910 1.00 40.04 H new ATOM 0 HB2 GLU A 41 -21.180 8.973 -23.549 1.00 70.04 H new ATOM 0 HB3 GLU A 41 -22.519 8.022 -24.158 1.00 70.04 H new ATOM 0 HG2 GLU A 41 -19.812 6.755 -23.863 1.00 42.42 H new ATOM 0 HG3 GLU A 41 -20.813 7.005 -22.446 1.00 42.42 H new ATOM 652 N LEU A 42 -19.061 9.740 -26.119 1.00 73.31 N ATOM 653 CA LEU A 42 -17.651 10.114 -26.218 1.00 3.22 C ATOM 654 C LEU A 42 -16.907 9.898 -24.897 1.00 52.42 C ATOM 655 O LEU A 42 -17.523 9.718 -23.845 1.00 34.54 O ATOM 656 CB LEU A 42 -17.516 11.575 -26.678 1.00 33.33 C ATOM 657 CG LEU A 42 -18.336 12.612 -25.896 1.00 75.11 C ATOM 658 CD1 LEU A 42 -17.691 12.944 -24.557 1.00 40.45 C ATOM 659 CD2 LEU A 42 -18.514 13.874 -26.724 1.00 14.21 C ATOM 0 H LEU A 42 -19.704 10.466 -26.436 1.00 73.31 H new ATOM 0 HA LEU A 42 -17.191 9.463 -26.961 1.00 3.22 H new ATOM 0 HB2 LEU A 42 -16.464 11.856 -26.621 1.00 33.33 H new ATOM 0 HB3 LEU A 42 -17.804 11.631 -27.728 1.00 33.33 H new ATOM 0 HG LEU A 42 -19.315 12.177 -25.693 1.00 75.11 H new ATOM 0 HD11 LEU A 42 -18.300 13.681 -24.033 1.00 40.45 H new ATOM 0 HD12 LEU A 42 -17.617 12.039 -23.954 1.00 40.45 H new ATOM 0 HD13 LEU A 42 -16.694 13.350 -24.724 1.00 40.45 H new ATOM 0 HD21 LEU A 42 -19.097 14.601 -26.158 1.00 14.21 H new ATOM 0 HD22 LEU A 42 -17.537 14.296 -26.959 1.00 14.21 H new ATOM 0 HD23 LEU A 42 -19.036 13.631 -27.649 1.00 14.21 H new ATOM 671 N HIS A 43 -15.581 9.933 -24.958 1.00 2.00 N ATOM 672 CA HIS A 43 -14.755 9.725 -23.773 1.00 24.24 C ATOM 673 C HIS A 43 -14.932 10.882 -22.796 1.00 50.12 C ATOM 674 O HIS A 43 -14.340 11.951 -22.949 1.00 22.15 O ATOM 675 CB HIS A 43 -13.283 9.553 -24.158 1.00 64.42 C ATOM 676 CG HIS A 43 -13.032 8.365 -25.039 1.00 5.22 C ATOM 677 ND1 HIS A 43 -12.399 7.214 -24.623 1.00 13.43 N ATOM 678 CD2 HIS A 43 -13.358 8.160 -26.340 1.00 34.22 C ATOM 679 CE1 HIS A 43 -12.361 6.367 -25.658 1.00 52.41 C ATOM 680 NE2 HIS A 43 -12.932 6.893 -26.726 1.00 14.12 N ATOM 0 H HIS A 43 -15.054 10.103 -25.815 1.00 2.00 H new ATOM 0 HA HIS A 43 -15.080 8.808 -23.282 1.00 24.24 H new ATOM 0 HB2 HIS A 43 -12.941 10.453 -24.669 1.00 64.42 H new ATOM 0 HB3 HIS A 43 -12.687 9.455 -23.251 1.00 64.42 H new ATOM 0 HD2 HIS A 43 -13.868 8.869 -26.976 1.00 34.22 H new ATOM 0 HE1 HIS A 43 -11.921 5.381 -25.624 1.00 52.41 H new ATOM 0 HE2 HIS A 43 -13.039 6.460 -27.644 1.00 14.12 H new ATOM 688 N LEU A 44 -15.774 10.651 -21.806 1.00 74.13 N ATOM 689 CA LEU A 44 -16.174 11.676 -20.858 1.00 42.11 C ATOM 690 C LEU A 44 -15.340 11.591 -19.582 1.00 34.33 C ATOM 691 O LEU A 44 -14.612 10.619 -19.371 1.00 24.32 O ATOM 692 CB LEU A 44 -17.662 11.487 -20.537 1.00 42.54 C ATOM 693 CG LEU A 44 -18.286 12.507 -19.584 1.00 22.20 C ATOM 694 CD1 LEU A 44 -18.349 13.885 -20.228 1.00 61.40 C ATOM 695 CD2 LEU A 44 -19.669 12.040 -19.166 1.00 32.13 C ATOM 0 H LEU A 44 -16.203 9.741 -21.635 1.00 74.13 H new ATOM 0 HA LEU A 44 -16.009 12.661 -21.295 1.00 42.11 H new ATOM 0 HB2 LEU A 44 -18.219 11.509 -21.474 1.00 42.54 H new ATOM 0 HB3 LEU A 44 -17.796 10.493 -20.110 1.00 42.54 H new ATOM 0 HG LEU A 44 -17.659 12.587 -18.696 1.00 22.20 H new ATOM 0 HD11 LEU A 44 -18.797 14.593 -19.530 1.00 61.40 H new ATOM 0 HD12 LEU A 44 -17.341 14.214 -20.482 1.00 61.40 H new ATOM 0 HD13 LEU A 44 -18.954 13.836 -21.133 1.00 61.40 H new ATOM 0 HD21 LEU A 44 -20.110 12.770 -18.487 1.00 32.13 H new ATOM 0 HD22 LEU A 44 -20.301 11.938 -20.048 1.00 32.13 H new ATOM 0 HD23 LEU A 44 -19.591 11.077 -18.662 1.00 32.13 H new ATOM 707 N THR A 45 -15.435 12.620 -18.746 1.00 22.11 N ATOM 708 CA THR A 45 -14.819 12.597 -17.432 1.00 5.44 C ATOM 709 C THR A 45 -15.435 11.478 -16.604 1.00 54.04 C ATOM 710 O THR A 45 -16.605 11.544 -16.219 1.00 53.01 O ATOM 711 CB THR A 45 -15.015 13.935 -16.701 1.00 70.42 C ATOM 712 OG1 THR A 45 -14.619 15.021 -17.555 1.00 33.34 O ATOM 713 CG2 THR A 45 -14.206 13.976 -15.413 1.00 45.15 C ATOM 0 H THR A 45 -15.936 13.482 -18.960 1.00 22.11 H new ATOM 0 HA THR A 45 -13.750 12.428 -17.560 1.00 5.44 H new ATOM 0 HB THR A 45 -16.071 14.034 -16.449 1.00 70.42 H new ATOM 0 HG1 THR A 45 -14.748 15.871 -17.084 1.00 33.34 H new ATOM 0 HG21 THR A 45 -14.362 14.933 -14.915 1.00 45.15 H new ATOM 0 HG22 THR A 45 -14.528 13.168 -14.755 1.00 45.15 H new ATOM 0 HG23 THR A 45 -13.148 13.856 -15.644 1.00 45.15 H new ATOM 721 N LYS A 46 -14.657 10.446 -16.353 1.00 32.21 N ATOM 722 CA LYS A 46 -15.170 9.273 -15.682 1.00 62.12 C ATOM 723 C LYS A 46 -14.380 8.995 -14.409 1.00 51.11 C ATOM 724 O LYS A 46 -13.216 9.387 -14.286 1.00 22.41 O ATOM 725 CB LYS A 46 -15.152 8.067 -16.640 1.00 74.23 C ATOM 726 CG LYS A 46 -13.994 7.098 -16.440 1.00 42.30 C ATOM 727 CD LYS A 46 -12.644 7.701 -16.783 1.00 55.54 C ATOM 728 CE LYS A 46 -11.535 6.895 -16.137 1.00 72.34 C ATOM 729 NZ LYS A 46 -10.187 7.450 -16.430 1.00 23.40 N ATOM 0 H LYS A 46 -13.669 10.397 -16.603 1.00 32.21 H new ATOM 0 HA LYS A 46 -16.204 9.453 -15.389 1.00 62.12 H new ATOM 0 HB2 LYS A 46 -16.087 7.519 -16.526 1.00 74.23 H new ATOM 0 HB3 LYS A 46 -15.122 8.438 -17.665 1.00 74.23 H new ATOM 0 HG2 LYS A 46 -13.983 6.765 -15.402 1.00 42.30 H new ATOM 0 HG3 LYS A 46 -14.157 6.214 -17.057 1.00 42.30 H new ATOM 0 HD2 LYS A 46 -12.509 7.719 -17.864 1.00 55.54 H new ATOM 0 HD3 LYS A 46 -12.601 8.735 -16.439 1.00 55.54 H new ATOM 0 HE2 LYS A 46 -11.688 6.871 -15.058 1.00 72.34 H new ATOM 0 HE3 LYS A 46 -11.585 5.865 -16.490 1.00 72.34 H new ATOM 0 HZ1 LYS A 46 -9.463 6.865 -15.967 1.00 23.40 H new ATOM 0 HZ2 LYS A 46 -10.027 7.450 -17.458 1.00 23.40 H new ATOM 0 HZ3 LYS A 46 -10.127 8.424 -16.071 1.00 23.40 H new ATOM 743 N TYR A 47 -15.027 8.344 -13.462 1.00 14.21 N ATOM 744 CA TYR A 47 -14.405 7.998 -12.198 1.00 33.42 C ATOM 745 C TYR A 47 -14.538 6.509 -11.951 1.00 10.42 C ATOM 746 O TYR A 47 -15.522 5.897 -12.350 1.00 21.51 O ATOM 747 CB TYR A 47 -15.061 8.770 -11.051 1.00 73.32 C ATOM 748 CG TYR A 47 -14.635 10.218 -10.949 1.00 54.22 C ATOM 749 CD1 TYR A 47 -14.966 11.137 -11.935 1.00 4.50 C ATOM 750 CD2 TYR A 47 -13.895 10.662 -9.863 1.00 25.25 C ATOM 751 CE1 TYR A 47 -14.572 12.455 -11.842 1.00 73.55 C ATOM 752 CE2 TYR A 47 -13.495 11.977 -9.762 1.00 75.11 C ATOM 753 CZ TYR A 47 -13.837 12.871 -10.753 1.00 62.35 C ATOM 754 OH TYR A 47 -13.433 14.181 -10.657 1.00 62.21 O ATOM 0 H TYR A 47 -15.997 8.040 -13.546 1.00 14.21 H new ATOM 0 HA TYR A 47 -13.349 8.266 -12.244 1.00 33.42 H new ATOM 0 HB2 TYR A 47 -16.143 8.730 -11.174 1.00 73.32 H new ATOM 0 HB3 TYR A 47 -14.829 8.268 -10.112 1.00 73.32 H new ATOM 0 HD1 TYR A 47 -15.542 10.814 -12.790 1.00 4.50 H new ATOM 0 HD2 TYR A 47 -13.628 9.965 -9.083 1.00 25.25 H new ATOM 0 HE1 TYR A 47 -14.838 13.157 -12.618 1.00 73.55 H new ATOM 0 HE2 TYR A 47 -12.917 12.305 -8.911 1.00 75.11 H new ATOM 0 HH TYR A 47 -12.926 14.307 -9.828 1.00 62.21 H new ATOM 764 N TYR A 48 -13.548 5.924 -11.311 1.00 24.03 N ATOM 765 CA TYR A 48 -13.614 4.521 -10.953 1.00 21.52 C ATOM 766 C TYR A 48 -14.287 4.353 -9.601 1.00 43.25 C ATOM 767 O TYR A 48 -13.789 4.833 -8.583 1.00 44.34 O ATOM 768 CB TYR A 48 -12.222 3.895 -10.935 1.00 55.33 C ATOM 769 CG TYR A 48 -11.748 3.423 -12.292 1.00 70.25 C ATOM 770 CD1 TYR A 48 -11.426 4.324 -13.298 1.00 13.31 C ATOM 771 CD2 TYR A 48 -11.618 2.068 -12.562 1.00 11.32 C ATOM 772 CE1 TYR A 48 -10.985 3.886 -14.530 1.00 44.21 C ATOM 773 CE2 TYR A 48 -11.175 1.623 -13.790 1.00 65.35 C ATOM 774 CZ TYR A 48 -10.859 2.536 -14.771 1.00 61.44 C ATOM 775 OH TYR A 48 -10.414 2.100 -15.999 1.00 34.24 O ATOM 0 H TYR A 48 -12.689 6.396 -11.028 1.00 24.03 H new ATOM 0 HA TYR A 48 -14.207 4.005 -11.708 1.00 21.52 H new ATOM 0 HB2 TYR A 48 -11.511 4.623 -10.545 1.00 55.33 H new ATOM 0 HB3 TYR A 48 -12.222 3.050 -10.246 1.00 55.33 H new ATOM 0 HD1 TYR A 48 -11.522 5.384 -13.114 1.00 13.31 H new ATOM 0 HD2 TYR A 48 -11.868 1.349 -11.796 1.00 11.32 H new ATOM 0 HE1 TYR A 48 -10.739 4.600 -15.303 1.00 44.21 H new ATOM 0 HE2 TYR A 48 -11.077 0.565 -13.981 1.00 65.35 H new ATOM 0 HH TYR A 48 -10.380 1.121 -16.006 1.00 34.24 H new ATOM 785 N GLY A 49 -15.422 3.680 -9.605 1.00 54.42 N ATOM 786 CA GLY A 49 -16.168 3.461 -8.387 1.00 22.51 C ATOM 787 C GLY A 49 -15.760 2.176 -7.702 1.00 62.33 C ATOM 788 O GLY A 49 -16.378 1.127 -7.910 1.00 43.21 O ATOM 0 H GLY A 49 -15.845 3.276 -10.441 1.00 54.42 H new ATOM 0 HA2 GLY A 49 -16.011 4.300 -7.709 1.00 22.51 H new ATOM 0 HA3 GLY A 49 -17.234 3.429 -8.614 1.00 22.51 H new ATOM 792 N PHE A 50 -14.703 2.253 -6.908 1.00 1.14 N ATOM 793 CA PHE A 50 -14.231 1.110 -6.145 1.00 52.32 C ATOM 794 C PHE A 50 -14.999 0.982 -4.845 1.00 23.41 C ATOM 795 O PHE A 50 -15.279 1.980 -4.175 1.00 13.01 O ATOM 796 CB PHE A 50 -12.739 1.236 -5.840 1.00 55.32 C ATOM 797 CG PHE A 50 -11.867 0.452 -6.768 1.00 51.42 C ATOM 798 CD1 PHE A 50 -11.417 0.998 -7.953 1.00 54.32 C ATOM 799 CD2 PHE A 50 -11.494 -0.839 -6.446 1.00 52.53 C ATOM 800 CE1 PHE A 50 -10.613 0.272 -8.798 1.00 13.03 C ATOM 801 CE2 PHE A 50 -10.688 -1.573 -7.287 1.00 2.42 C ATOM 802 CZ PHE A 50 -10.244 -1.016 -8.468 1.00 23.15 C ATOM 0 H PHE A 50 -14.153 3.102 -6.776 1.00 1.14 H new ATOM 0 HA PHE A 50 -14.395 0.218 -6.750 1.00 52.32 H new ATOM 0 HB2 PHE A 50 -12.455 2.287 -5.890 1.00 55.32 H new ATOM 0 HB3 PHE A 50 -12.557 0.904 -4.818 1.00 55.32 H new ATOM 0 HD1 PHE A 50 -11.700 2.006 -8.219 1.00 54.32 H new ATOM 0 HD2 PHE A 50 -11.839 -1.278 -5.522 1.00 52.53 H new ATOM 0 HE1 PHE A 50 -10.269 0.711 -9.723 1.00 13.03 H new ATOM 0 HE2 PHE A 50 -10.405 -2.581 -7.023 1.00 2.42 H new ATOM 0 HZ PHE A 50 -9.610 -1.585 -9.132 1.00 23.15 H new ATOM 812 N SER A 51 -15.363 -0.240 -4.501 1.00 42.05 N ATOM 813 CA SER A 51 -16.046 -0.506 -3.248 1.00 3.45 C ATOM 814 C SER A 51 -15.797 -1.937 -2.803 1.00 50.32 C ATOM 815 O SER A 51 -15.599 -2.829 -3.630 1.00 34.34 O ATOM 816 CB SER A 51 -17.551 -0.281 -3.399 1.00 12.12 C ATOM 817 OG SER A 51 -17.823 0.964 -4.012 1.00 53.12 O ATOM 0 H SER A 51 -15.196 -1.067 -5.074 1.00 42.05 H new ATOM 0 HA SER A 51 -15.654 0.180 -2.497 1.00 3.45 H new ATOM 0 HB2 SER A 51 -17.984 -1.085 -3.995 1.00 12.12 H new ATOM 0 HB3 SER A 51 -18.027 -0.319 -2.419 1.00 12.12 H new ATOM 0 HG SER A 51 -17.602 1.689 -3.391 1.00 53.12 H new ATOM 823 N PHE A 52 -15.806 -2.154 -1.501 1.00 72.45 N ATOM 824 CA PHE A 52 -15.701 -3.495 -0.970 1.00 35.51 C ATOM 825 C PHE A 52 -17.049 -3.939 -0.431 1.00 53.31 C ATOM 826 O PHE A 52 -17.620 -3.284 0.454 1.00 13.13 O ATOM 827 CB PHE A 52 -14.655 -3.592 0.140 1.00 64.41 C ATOM 828 CG PHE A 52 -14.460 -5.004 0.611 1.00 41.53 C ATOM 829 CD1 PHE A 52 -13.562 -5.839 -0.028 1.00 43.01 C ATOM 830 CD2 PHE A 52 -15.197 -5.505 1.672 1.00 22.11 C ATOM 831 CE1 PHE A 52 -13.398 -7.146 0.381 1.00 30.32 C ATOM 832 CE2 PHE A 52 -15.034 -6.809 2.090 1.00 72.50 C ATOM 833 CZ PHE A 52 -14.136 -7.632 1.440 1.00 3.02 C ATOM 0 H PHE A 52 -15.885 -1.421 -0.796 1.00 72.45 H new ATOM 0 HA PHE A 52 -15.386 -4.147 -1.785 1.00 35.51 H new ATOM 0 HB2 PHE A 52 -13.706 -3.197 -0.222 1.00 64.41 H new ATOM 0 HB3 PHE A 52 -14.960 -2.969 0.981 1.00 64.41 H new ATOM 0 HD1 PHE A 52 -12.982 -5.463 -0.858 1.00 43.01 H new ATOM 0 HD2 PHE A 52 -15.907 -4.867 2.177 1.00 22.11 H new ATOM 0 HE1 PHE A 52 -12.693 -7.788 -0.127 1.00 30.32 H new ATOM 0 HE2 PHE A 52 -15.608 -7.186 2.924 1.00 72.50 H new ATOM 0 HZ PHE A 52 -14.012 -8.656 1.761 1.00 3.02 H new ATOM 843 N PHE A 53 -17.537 -5.050 -0.960 1.00 13.30 N ATOM 844 CA PHE A 53 -18.803 -5.621 -0.540 1.00 1.43 C ATOM 845 C PHE A 53 -18.586 -6.701 0.500 1.00 54.44 C ATOM 846 O PHE A 53 -17.711 -7.554 0.354 1.00 2.03 O ATOM 847 CB PHE A 53 -19.553 -6.210 -1.732 1.00 23.20 C ATOM 848 CG PHE A 53 -20.551 -5.272 -2.333 1.00 41.13 C ATOM 849 CD1 PHE A 53 -21.843 -5.231 -1.844 1.00 74.40 C ATOM 850 CD2 PHE A 53 -20.204 -4.439 -3.381 1.00 32.45 C ATOM 851 CE1 PHE A 53 -22.777 -4.371 -2.387 1.00 64.13 C ATOM 852 CE2 PHE A 53 -21.133 -3.576 -3.931 1.00 4.15 C ATOM 853 CZ PHE A 53 -22.422 -3.543 -3.434 1.00 2.53 C ATOM 0 H PHE A 53 -17.065 -5.580 -1.693 1.00 13.30 H new ATOM 0 HA PHE A 53 -19.399 -4.819 -0.104 1.00 1.43 H new ATOM 0 HB2 PHE A 53 -18.833 -6.500 -2.497 1.00 23.20 H new ATOM 0 HB3 PHE A 53 -20.065 -7.119 -1.416 1.00 23.20 H new ATOM 0 HD1 PHE A 53 -22.125 -5.879 -1.028 1.00 74.40 H new ATOM 0 HD2 PHE A 53 -19.198 -4.463 -3.773 1.00 32.45 H new ATOM 0 HE1 PHE A 53 -23.783 -4.346 -1.994 1.00 64.13 H new ATOM 0 HE2 PHE A 53 -20.852 -2.928 -4.748 1.00 4.15 H new ATOM 0 HZ PHE A 53 -23.150 -2.871 -3.863 1.00 2.53 H new ATOM 863 N ARG A 54 -19.385 -6.654 1.547 1.00 2.12 N ATOM 864 CA ARG A 54 -19.334 -7.658 2.589 1.00 23.40 C ATOM 865 C ARG A 54 -20.752 -7.923 3.086 1.00 3.34 C ATOM 866 O ARG A 54 -21.338 -7.094 3.788 1.00 64.34 O ATOM 867 CB ARG A 54 -18.418 -7.187 3.725 1.00 23.33 C ATOM 868 CG ARG A 54 -17.831 -8.312 4.566 1.00 1.52 C ATOM 869 CD ARG A 54 -18.711 -8.660 5.749 1.00 72.22 C ATOM 870 NE ARG A 54 -18.164 -9.772 6.536 1.00 71.22 N ATOM 871 CZ ARG A 54 -18.059 -9.757 7.869 1.00 52.51 C ATOM 872 NH1 ARG A 54 -18.386 -8.669 8.544 1.00 62.33 N ATOM 873 NH2 ARG A 54 -17.597 -10.818 8.527 1.00 41.01 N ATOM 0 H ARG A 54 -20.082 -5.925 1.699 1.00 2.12 H new ATOM 0 HA ARG A 54 -18.921 -8.588 2.199 1.00 23.40 H new ATOM 0 HB2 ARG A 54 -17.601 -6.604 3.299 1.00 23.33 H new ATOM 0 HB3 ARG A 54 -18.981 -6.519 4.376 1.00 23.33 H new ATOM 0 HG2 ARG A 54 -17.696 -9.196 3.943 1.00 1.52 H new ATOM 0 HG3 ARG A 54 -16.844 -8.019 4.923 1.00 1.52 H new ATOM 0 HD2 ARG A 54 -18.821 -7.784 6.388 1.00 72.22 H new ATOM 0 HD3 ARG A 54 -19.707 -8.923 5.394 1.00 72.22 H new ATOM 0 HE ARG A 54 -17.846 -10.603 6.038 1.00 71.22 H new ATOM 0 HH11 ARG A 54 -18.718 -7.842 8.048 1.00 62.33 H new ATOM 0 HH12 ARG A 54 -18.306 -8.656 9.561 1.00 62.33 H new ATOM 0 HH21 ARG A 54 -17.318 -11.655 8.014 1.00 41.01 H new ATOM 0 HH22 ARG A 54 -17.522 -10.794 9.544 1.00 41.01 H new ATOM 887 N HIS A 55 -21.312 -9.059 2.667 1.00 53.11 N ATOM 888 CA HIS A 55 -22.700 -9.422 2.973 1.00 23.54 C ATOM 889 C HIS A 55 -23.694 -8.458 2.340 1.00 61.41 C ATOM 890 O HIS A 55 -24.828 -8.331 2.799 1.00 0.00 O ATOM 891 CB HIS A 55 -22.935 -9.501 4.481 1.00 4.24 C ATOM 892 CG HIS A 55 -22.649 -10.853 5.043 1.00 71.15 C ATOM 893 ND1 HIS A 55 -23.621 -11.699 5.525 1.00 13.44 N ATOM 894 CD2 HIS A 55 -21.473 -11.519 5.171 1.00 2.33 C ATOM 895 CE1 HIS A 55 -23.025 -12.827 5.917 1.00 2.03 C ATOM 896 NE2 HIS A 55 -21.722 -12.767 5.725 1.00 30.14 N ATOM 0 H HIS A 55 -20.818 -9.754 2.107 1.00 53.11 H new ATOM 0 HA HIS A 55 -22.866 -10.409 2.541 1.00 23.54 H new ATOM 0 HB2 HIS A 55 -22.306 -8.765 4.981 1.00 4.24 H new ATOM 0 HB3 HIS A 55 -23.970 -9.235 4.697 1.00 4.24 H new ATOM 0 HD1 HIS A 55 -24.620 -11.499 5.574 1.00 13.44 H new ATOM 0 HD2 HIS A 55 -20.502 -11.140 4.888 1.00 2.33 H new ATOM 0 HE1 HIS A 55 -23.542 -13.677 6.336 1.00 2.03 H new ATOM 904 N GLY A 56 -23.273 -7.799 1.272 1.00 62.23 N ATOM 905 CA GLY A 56 -24.150 -6.880 0.579 1.00 54.43 C ATOM 906 C GLY A 56 -24.008 -5.458 1.076 1.00 31.45 C ATOM 907 O GLY A 56 -24.578 -4.532 0.499 1.00 34.23 O ATOM 0 H GLY A 56 -22.338 -7.884 0.872 1.00 62.23 H new ATOM 0 HA2 GLY A 56 -23.934 -6.912 -0.489 1.00 54.43 H new ATOM 0 HA3 GLY A 56 -25.183 -7.204 0.705 1.00 54.43 H new ATOM 911 N ASN A 57 -23.250 -5.276 2.148 1.00 35.22 N ATOM 912 CA ASN A 57 -23.006 -3.942 2.674 1.00 65.54 C ATOM 913 C ASN A 57 -21.741 -3.380 2.060 1.00 64.35 C ATOM 914 O ASN A 57 -20.964 -4.107 1.434 1.00 61.31 O ATOM 915 CB ASN A 57 -22.856 -3.943 4.200 1.00 62.42 C ATOM 916 CG ASN A 57 -23.948 -4.712 4.906 1.00 64.55 C ATOM 917 OD1 ASN A 57 -25.006 -4.174 5.234 1.00 62.32 O ATOM 918 ND2 ASN A 57 -23.679 -5.977 5.161 1.00 22.24 N ATOM 0 H ASN A 57 -22.797 -6.029 2.666 1.00 35.22 H new ATOM 0 HA ASN A 57 -23.868 -3.326 2.417 1.00 65.54 H new ATOM 0 HB2 ASN A 57 -21.890 -4.373 4.463 1.00 62.42 H new ATOM 0 HB3 ASN A 57 -22.855 -2.914 4.559 1.00 62.42 H new ATOM 0 HD21 ASN A 57 -24.362 -6.555 5.650 1.00 22.24 H new ATOM 0 HD22 ASN A 57 -22.788 -6.378 4.869 1.00 22.24 H new ATOM 925 N ILE A 58 -21.528 -2.099 2.266 1.00 41.45 N ATOM 926 CA ILE A 58 -20.344 -1.434 1.758 1.00 21.23 C ATOM 927 C ILE A 58 -19.404 -1.105 2.897 1.00 13.02 C ATOM 928 O ILE A 58 -19.660 -0.208 3.704 1.00 44.23 O ATOM 929 CB ILE A 58 -20.682 -0.152 0.970 1.00 53.23 C ATOM 930 CG1 ILE A 58 -21.364 -0.521 -0.348 1.00 43.45 C ATOM 931 CG2 ILE A 58 -19.422 0.671 0.710 1.00 55.15 C ATOM 932 CD1 ILE A 58 -20.434 -1.176 -1.346 1.00 13.21 C ATOM 0 H ILE A 58 -22.163 -1.492 2.785 1.00 41.45 H new ATOM 0 HA ILE A 58 -19.860 -2.123 1.066 1.00 21.23 H new ATOM 0 HB ILE A 58 -21.364 0.456 1.564 1.00 53.23 H new ATOM 0 HG12 ILE A 58 -22.195 -1.195 -0.142 1.00 43.45 H new ATOM 0 HG13 ILE A 58 -21.787 0.379 -0.794 1.00 43.45 H new ATOM 0 HG21 ILE A 58 -19.684 1.571 0.153 1.00 55.15 H new ATOM 0 HG22 ILE A 58 -18.968 0.952 1.660 1.00 55.15 H new ATOM 0 HG23 ILE A 58 -18.714 0.079 0.131 1.00 55.15 H new ATOM 0 HD11 ILE A 58 -20.985 -1.410 -2.257 1.00 13.21 H new ATOM 0 HD12 ILE A 58 -19.616 -0.496 -1.582 1.00 13.21 H new ATOM 0 HD13 ILE A 58 -20.031 -2.094 -0.919 1.00 13.21 H new ATOM 944 N VAL A 59 -18.333 -1.862 2.969 1.00 72.42 N ATOM 945 CA VAL A 59 -17.315 -1.647 3.978 1.00 31.54 C ATOM 946 C VAL A 59 -16.324 -0.600 3.500 1.00 61.25 C ATOM 947 O VAL A 59 -15.841 0.228 4.273 1.00 61.15 O ATOM 948 CB VAL A 59 -16.566 -2.955 4.302 1.00 35.03 C ATOM 949 CG1 VAL A 59 -15.426 -2.701 5.271 1.00 51.54 C ATOM 950 CG2 VAL A 59 -17.524 -3.992 4.864 1.00 60.53 C ATOM 0 H VAL A 59 -18.141 -2.639 2.336 1.00 72.42 H new ATOM 0 HA VAL A 59 -17.809 -1.299 4.885 1.00 31.54 H new ATOM 0 HB VAL A 59 -16.142 -3.342 3.375 1.00 35.03 H new ATOM 0 HG11 VAL A 59 -14.913 -3.639 5.484 1.00 51.54 H new ATOM 0 HG12 VAL A 59 -14.723 -1.995 4.829 1.00 51.54 H new ATOM 0 HG13 VAL A 59 -15.822 -2.286 6.198 1.00 51.54 H new ATOM 0 HG21 VAL A 59 -16.978 -4.909 5.087 1.00 60.53 H new ATOM 0 HG22 VAL A 59 -17.979 -3.609 5.778 1.00 60.53 H new ATOM 0 HG23 VAL A 59 -18.303 -4.203 4.131 1.00 60.53 H new ATOM 960 N ALA A 60 -16.031 -0.634 2.211 1.00 43.42 N ATOM 961 CA ALA A 60 -15.091 0.306 1.636 1.00 64.44 C ATOM 962 C ALA A 60 -15.674 0.973 0.414 1.00 62.10 C ATOM 963 O ALA A 60 -16.320 0.322 -0.402 1.00 72.10 O ATOM 964 CB ALA A 60 -13.798 -0.393 1.271 1.00 2.31 C ATOM 0 H ALA A 60 -16.429 -1.299 1.548 1.00 43.42 H new ATOM 0 HA ALA A 60 -14.883 1.071 2.384 1.00 64.44 H new ATOM 0 HB1 ALA A 60 -13.103 0.328 0.840 1.00 2.31 H new ATOM 0 HB2 ALA A 60 -13.357 -0.832 2.166 1.00 2.31 H new ATOM 0 HB3 ALA A 60 -14.002 -1.179 0.544 1.00 2.31 H new ATOM 970 N TYR A 61 -15.458 2.269 0.300 1.00 32.13 N ATOM 971 CA TYR A 61 -15.834 2.993 -0.894 1.00 10.34 C ATOM 972 C TYR A 61 -14.733 3.970 -1.262 1.00 41.22 C ATOM 973 O TYR A 61 -14.263 4.733 -0.418 1.00 61.12 O ATOM 974 CB TYR A 61 -17.156 3.740 -0.705 1.00 52.30 C ATOM 975 CG TYR A 61 -17.663 4.354 -1.991 1.00 5.44 C ATOM 976 CD1 TYR A 61 -18.410 3.601 -2.883 1.00 41.13 C ATOM 977 CD2 TYR A 61 -17.372 5.671 -2.329 1.00 51.43 C ATOM 978 CE1 TYR A 61 -18.858 4.137 -4.072 1.00 31.34 C ATOM 979 CE2 TYR A 61 -17.820 6.217 -3.518 1.00 22.41 C ATOM 980 CZ TYR A 61 -18.560 5.445 -4.387 1.00 23.02 C ATOM 981 OH TYR A 61 -19.000 5.986 -5.573 1.00 3.13 O ATOM 0 H TYR A 61 -15.023 2.842 1.023 1.00 32.13 H new ATOM 0 HA TYR A 61 -15.973 2.273 -1.700 1.00 10.34 H new ATOM 0 HB2 TYR A 61 -17.906 3.052 -0.314 1.00 52.30 H new ATOM 0 HB3 TYR A 61 -17.023 4.524 0.041 1.00 52.30 H new ATOM 0 HD1 TYR A 61 -18.646 2.575 -2.642 1.00 41.13 H new ATOM 0 HD2 TYR A 61 -16.787 6.277 -1.653 1.00 51.43 H new ATOM 0 HE1 TYR A 61 -19.440 3.534 -4.753 1.00 31.34 H new ATOM 0 HE2 TYR A 61 -17.591 7.243 -3.764 1.00 22.41 H new ATOM 0 HH TYR A 61 -19.443 6.843 -5.398 1.00 3.13 H new ATOM 991 N GLY A 62 -14.324 3.939 -2.514 1.00 51.20 N ATOM 992 CA GLY A 62 -13.277 4.816 -2.970 1.00 35.05 C ATOM 993 C GLY A 62 -13.400 5.115 -4.441 1.00 63.34 C ATOM 994 O GLY A 62 -12.969 4.331 -5.276 1.00 41.13 O ATOM 0 H GLY A 62 -14.702 3.317 -3.228 1.00 51.20 H new ATOM 0 HA2 GLY A 62 -13.312 5.748 -2.405 1.00 35.05 H new ATOM 0 HA3 GLY A 62 -12.308 4.359 -2.772 1.00 35.05 H new ATOM 998 N LYS A 63 -14.027 6.229 -4.763 1.00 44.12 N ATOM 999 CA LYS A 63 -14.140 6.655 -6.138 1.00 52.04 C ATOM 1000 C LYS A 63 -13.083 7.701 -6.454 1.00 51.33 C ATOM 1001 O LYS A 63 -12.872 8.634 -5.678 1.00 70.42 O ATOM 1002 CB LYS A 63 -15.536 7.205 -6.394 1.00 41.51 C ATOM 1003 CG LYS A 63 -15.713 7.778 -7.783 1.00 22.24 C ATOM 1004 CD LYS A 63 -17.158 7.705 -8.212 1.00 54.32 C ATOM 1005 CE LYS A 63 -18.062 8.550 -7.334 1.00 40.32 C ATOM 1006 NZ LYS A 63 -19.479 8.435 -7.756 1.00 43.33 N ATOM 0 H LYS A 63 -14.466 6.855 -4.087 1.00 44.12 H new ATOM 0 HA LYS A 63 -13.977 5.799 -6.792 1.00 52.04 H new ATOM 0 HB2 LYS A 63 -16.265 6.409 -6.242 1.00 41.51 H new ATOM 0 HB3 LYS A 63 -15.753 7.980 -5.659 1.00 41.51 H new ATOM 0 HG2 LYS A 63 -15.376 8.814 -7.800 1.00 22.24 H new ATOM 0 HG3 LYS A 63 -15.091 7.229 -8.490 1.00 22.24 H new ATOM 0 HD2 LYS A 63 -17.245 8.038 -9.246 1.00 54.32 H new ATOM 0 HD3 LYS A 63 -17.492 6.668 -8.182 1.00 54.32 H new ATOM 0 HE2 LYS A 63 -17.962 8.235 -6.295 1.00 40.32 H new ATOM 0 HE3 LYS A 63 -17.749 9.593 -7.382 1.00 40.32 H new ATOM 0 HZ1 LYS A 63 -20.095 8.821 -7.012 1.00 43.33 H new ATOM 0 HZ2 LYS A 63 -19.623 8.969 -8.637 1.00 43.33 H new ATOM 0 HZ3 LYS A 63 -19.714 7.434 -7.915 1.00 43.33 H new ATOM 1020 N SER A 64 -12.408 7.539 -7.579 1.00 72.12 N ATOM 1021 CA SER A 64 -11.371 8.474 -7.982 1.00 22.02 C ATOM 1022 C SER A 64 -11.273 8.570 -9.493 1.00 61.24 C ATOM 1023 O SER A 64 -11.818 7.735 -10.217 1.00 71.33 O ATOM 1024 CB SER A 64 -10.022 8.046 -7.415 1.00 33.50 C ATOM 1025 OG SER A 64 -10.053 7.999 -6.005 1.00 73.05 O ATOM 0 H SER A 64 -12.559 6.769 -8.230 1.00 72.12 H new ATOM 0 HA SER A 64 -11.639 9.454 -7.587 1.00 22.02 H new ATOM 0 HB2 SER A 64 -9.754 7.065 -7.808 1.00 33.50 H new ATOM 0 HB3 SER A 64 -9.250 8.743 -7.741 1.00 33.50 H new ATOM 0 HG SER A 64 -10.271 8.887 -5.653 1.00 73.05 H new ATOM 1031 N ARG A 65 -10.574 9.595 -9.956 1.00 32.20 N ATOM 1032 CA ARG A 65 -10.320 9.787 -11.373 1.00 34.11 C ATOM 1033 C ARG A 65 -9.500 8.627 -11.921 1.00 24.41 C ATOM 1034 O ARG A 65 -9.642 8.238 -13.084 1.00 55.44 O ATOM 1035 CB ARG A 65 -9.566 11.104 -11.584 1.00 54.43 C ATOM 1036 CG ARG A 65 -9.299 11.444 -13.041 1.00 60.14 C ATOM 1037 CD ARG A 65 -10.587 11.735 -13.788 1.00 32.22 C ATOM 1038 NE ARG A 65 -10.337 12.213 -15.146 1.00 31.12 N ATOM 1039 CZ ARG A 65 -10.536 13.468 -15.538 1.00 44.30 C ATOM 1040 NH1 ARG A 65 -10.920 14.391 -14.668 1.00 73.13 N ATOM 1041 NH2 ARG A 65 -10.322 13.805 -16.802 1.00 54.41 N ATOM 0 H ARG A 65 -10.168 10.316 -9.360 1.00 32.20 H new ATOM 0 HA ARG A 65 -11.271 9.825 -11.904 1.00 34.11 H new ATOM 0 HB2 ARG A 65 -10.139 11.914 -11.133 1.00 54.43 H new ATOM 0 HB3 ARG A 65 -8.615 11.054 -11.054 1.00 54.43 H new ATOM 0 HG2 ARG A 65 -8.640 12.310 -13.099 1.00 60.14 H new ATOM 0 HG3 ARG A 65 -8.779 10.615 -13.520 1.00 60.14 H new ATOM 0 HD2 ARG A 65 -11.195 10.831 -13.828 1.00 32.22 H new ATOM 0 HD3 ARG A 65 -11.162 12.482 -13.241 1.00 32.22 H new ATOM 0 HE ARG A 65 -9.989 11.545 -15.834 1.00 31.12 H new ATOM 0 HH11 ARG A 65 -11.065 14.141 -13.690 1.00 73.13 H new ATOM 0 HH12 ARG A 65 -11.071 15.351 -14.977 1.00 73.13 H new ATOM 0 HH21 ARG A 65 -10.006 13.103 -17.471 1.00 54.41 H new ATOM 0 HH22 ARG A 65 -10.474 14.767 -17.106 1.00 54.41 H new ATOM 1055 N LYS A 66 -8.647 8.072 -11.071 1.00 22.32 N ATOM 1056 CA LYS A 66 -7.756 7.002 -11.471 1.00 43.12 C ATOM 1057 C LYS A 66 -8.028 5.737 -10.662 1.00 63.14 C ATOM 1058 O LYS A 66 -8.365 5.802 -9.477 1.00 1.23 O ATOM 1059 CB LYS A 66 -6.302 7.451 -11.312 1.00 63.35 C ATOM 1060 CG LYS A 66 -5.970 8.699 -12.120 1.00 45.52 C ATOM 1061 CD LYS A 66 -4.494 9.063 -12.049 1.00 52.10 C ATOM 1062 CE LYS A 66 -3.630 8.050 -12.783 1.00 42.15 C ATOM 1063 NZ LYS A 66 -2.206 8.477 -12.838 1.00 43.12 N ATOM 0 H LYS A 66 -8.556 8.351 -10.094 1.00 22.32 H new ATOM 0 HA LYS A 66 -7.937 6.768 -12.520 1.00 43.12 H new ATOM 0 HB2 LYS A 66 -6.101 7.644 -10.258 1.00 63.35 H new ATOM 0 HB3 LYS A 66 -5.642 6.640 -11.620 1.00 63.35 H new ATOM 0 HG2 LYS A 66 -6.252 8.540 -13.161 1.00 45.52 H new ATOM 0 HG3 LYS A 66 -6.565 9.535 -11.753 1.00 45.52 H new ATOM 0 HD2 LYS A 66 -4.342 10.052 -12.481 1.00 52.10 H new ATOM 0 HD3 LYS A 66 -4.183 9.119 -11.006 1.00 52.10 H new ATOM 0 HE2 LYS A 66 -3.701 7.083 -12.285 1.00 42.15 H new ATOM 0 HE3 LYS A 66 -4.009 7.915 -13.796 1.00 42.15 H new ATOM 0 HZ1 LYS A 66 -1.648 7.761 -13.346 1.00 43.12 H new ATOM 0 HZ2 LYS A 66 -2.136 9.388 -13.335 1.00 43.12 H new ATOM 0 HZ3 LYS A 66 -1.837 8.581 -11.871 1.00 43.12 H new ATOM 1077 N VAL A 67 -7.860 4.594 -11.317 1.00 44.12 N ATOM 1078 CA VAL A 67 -8.215 3.293 -10.753 1.00 13.31 C ATOM 1079 C VAL A 67 -7.418 2.975 -9.481 1.00 14.01 C ATOM 1080 O VAL A 67 -7.963 2.440 -8.515 1.00 30.02 O ATOM 1081 CB VAL A 67 -8.007 2.173 -11.808 1.00 40.30 C ATOM 1082 CG1 VAL A 67 -6.572 2.125 -12.288 1.00 52.54 C ATOM 1083 CG2 VAL A 67 -8.425 0.812 -11.282 1.00 21.15 C ATOM 0 H VAL A 67 -7.472 4.541 -12.259 1.00 44.12 H new ATOM 0 HA VAL A 67 -9.268 3.338 -10.475 1.00 13.31 H new ATOM 0 HB VAL A 67 -8.649 2.420 -12.653 1.00 40.30 H new ATOM 0 HG11 VAL A 67 -6.461 1.330 -13.025 1.00 52.54 H new ATOM 0 HG12 VAL A 67 -6.308 3.080 -12.742 1.00 52.54 H new ATOM 0 HG13 VAL A 67 -5.912 1.930 -11.443 1.00 52.54 H new ATOM 0 HG21 VAL A 67 -8.263 0.058 -12.053 1.00 21.15 H new ATOM 0 HG22 VAL A 67 -7.832 0.564 -10.402 1.00 21.15 H new ATOM 0 HG23 VAL A 67 -9.481 0.834 -11.013 1.00 21.15 H new ATOM 1093 N ALA A 68 -6.139 3.329 -9.473 1.00 61.22 N ATOM 1094 CA ALA A 68 -5.265 2.991 -8.357 1.00 61.30 C ATOM 1095 C ALA A 68 -5.516 3.884 -7.146 1.00 0.53 C ATOM 1096 O ALA A 68 -5.323 3.459 -6.006 1.00 11.34 O ATOM 1097 CB ALA A 68 -3.811 3.068 -8.782 1.00 40.13 C ATOM 0 H ALA A 68 -5.685 3.848 -10.224 1.00 61.22 H new ATOM 0 HA ALA A 68 -5.494 1.968 -8.060 1.00 61.30 H new ATOM 0 HB1 ALA A 68 -3.171 2.813 -7.937 1.00 40.13 H new ATOM 0 HB2 ALA A 68 -3.633 2.367 -9.597 1.00 40.13 H new ATOM 0 HB3 ALA A 68 -3.583 4.080 -9.117 1.00 40.13 H new ATOM 1103 N ASN A 69 -5.953 5.114 -7.388 1.00 64.42 N ATOM 1104 CA ASN A 69 -6.260 6.030 -6.294 1.00 12.20 C ATOM 1105 C ASN A 69 -7.555 5.597 -5.638 1.00 15.32 C ATOM 1106 O ASN A 69 -7.695 5.623 -4.415 1.00 14.24 O ATOM 1107 CB ASN A 69 -6.393 7.465 -6.802 1.00 31.40 C ATOM 1108 CG ASN A 69 -6.364 8.490 -5.680 1.00 30.23 C ATOM 1109 OD1 ASN A 69 -5.298 8.974 -5.303 1.00 5.24 O ATOM 1110 ND2 ASN A 69 -7.527 8.840 -5.150 1.00 12.32 N ATOM 0 H ASN A 69 -6.102 5.498 -8.321 1.00 64.42 H new ATOM 0 HA ASN A 69 -5.445 6.001 -5.571 1.00 12.20 H new ATOM 0 HB2 ASN A 69 -5.584 7.675 -7.501 1.00 31.40 H new ATOM 0 HB3 ASN A 69 -7.327 7.565 -7.356 1.00 31.40 H new ATOM 0 HD21 ASN A 69 -7.559 9.533 -4.403 1.00 12.32 H new ATOM 0 HD22 ASN A 69 -8.390 8.416 -5.490 1.00 12.32 H new ATOM 1117 N ALA A 70 -8.494 5.188 -6.478 1.00 63.42 N ATOM 1118 CA ALA A 70 -9.766 4.663 -6.024 1.00 74.13 C ATOM 1119 C ALA A 70 -9.552 3.437 -5.147 1.00 31.13 C ATOM 1120 O ALA A 70 -10.186 3.288 -4.098 1.00 4.33 O ATOM 1121 CB ALA A 70 -10.632 4.328 -7.228 1.00 53.13 C ATOM 0 H ALA A 70 -8.392 5.212 -7.493 1.00 63.42 H new ATOM 0 HA ALA A 70 -10.276 5.416 -5.423 1.00 74.13 H new ATOM 0 HB1 ALA A 70 -11.590 3.933 -6.889 1.00 53.13 H new ATOM 0 HB2 ALA A 70 -10.800 5.229 -7.818 1.00 53.13 H new ATOM 0 HB3 ALA A 70 -10.128 3.581 -7.842 1.00 53.13 H new ATOM 1127 N LYS A 71 -8.642 2.571 -5.584 1.00 74.34 N ATOM 1128 CA LYS A 71 -8.222 1.427 -4.791 1.00 24.44 C ATOM 1129 C LYS A 71 -7.728 1.873 -3.438 1.00 10.25 C ATOM 1130 O LYS A 71 -8.135 1.340 -2.414 1.00 43.33 O ATOM 1131 CB LYS A 71 -7.085 0.686 -5.476 1.00 60.43 C ATOM 1132 CG LYS A 71 -7.513 -0.172 -6.630 1.00 33.35 C ATOM 1133 CD LYS A 71 -6.314 -0.874 -7.245 1.00 10.04 C ATOM 1134 CE LYS A 71 -6.654 -1.517 -8.575 1.00 72.15 C ATOM 1135 NZ LYS A 71 -5.502 -2.267 -9.136 1.00 55.15 N ATOM 0 H LYS A 71 -8.180 2.644 -6.491 1.00 74.34 H new ATOM 0 HA LYS A 71 -9.087 0.773 -4.682 1.00 24.44 H new ATOM 0 HB2 LYS A 71 -6.355 1.413 -5.831 1.00 60.43 H new ATOM 0 HB3 LYS A 71 -6.580 0.060 -4.741 1.00 60.43 H new ATOM 0 HG2 LYS A 71 -8.240 -0.910 -6.292 1.00 33.35 H new ATOM 0 HG3 LYS A 71 -8.008 0.441 -7.383 1.00 33.35 H new ATOM 0 HD2 LYS A 71 -5.506 -0.156 -7.385 1.00 10.04 H new ATOM 0 HD3 LYS A 71 -5.948 -1.636 -6.557 1.00 10.04 H new ATOM 0 HE2 LYS A 71 -7.500 -2.193 -8.446 1.00 72.15 H new ATOM 0 HE3 LYS A 71 -6.965 -0.748 -9.282 1.00 72.15 H new ATOM 0 HZ1 LYS A 71 -5.774 -2.692 -10.045 1.00 55.15 H new ATOM 0 HZ2 LYS A 71 -4.703 -1.617 -9.283 1.00 55.15 H new ATOM 0 HZ3 LYS A 71 -5.221 -3.018 -8.473 1.00 55.15 H new ATOM 1149 N TYR A 72 -6.845 2.859 -3.459 1.00 3.42 N ATOM 1150 CA TYR A 72 -6.188 3.331 -2.258 1.00 51.53 C ATOM 1151 C TYR A 72 -7.205 3.683 -1.178 1.00 65.15 C ATOM 1152 O TYR A 72 -7.101 3.223 -0.042 1.00 65.44 O ATOM 1153 CB TYR A 72 -5.307 4.541 -2.595 1.00 23.14 C ATOM 1154 CG TYR A 72 -4.831 5.321 -1.392 1.00 3.42 C ATOM 1155 CD1 TYR A 72 -3.721 4.915 -0.662 1.00 3.32 C ATOM 1156 CD2 TYR A 72 -5.498 6.471 -0.990 1.00 4.13 C ATOM 1157 CE1 TYR A 72 -3.290 5.635 0.437 1.00 12.25 C ATOM 1158 CE2 TYR A 72 -5.073 7.196 0.106 1.00 54.41 C ATOM 1159 CZ TYR A 72 -3.968 6.774 0.816 1.00 21.41 C ATOM 1160 OH TYR A 72 -3.540 7.495 1.907 1.00 43.51 O ATOM 0 H TYR A 72 -6.567 3.351 -4.308 1.00 3.42 H new ATOM 0 HA TYR A 72 -5.559 2.532 -1.866 1.00 51.53 H new ATOM 0 HB2 TYR A 72 -4.438 4.197 -3.157 1.00 23.14 H new ATOM 0 HB3 TYR A 72 -5.865 5.211 -3.249 1.00 23.14 H new ATOM 0 HD1 TYR A 72 -3.187 4.024 -0.957 1.00 3.32 H new ATOM 0 HD2 TYR A 72 -6.363 6.804 -1.544 1.00 4.13 H new ATOM 0 HE1 TYR A 72 -2.426 5.307 0.996 1.00 12.25 H new ATOM 0 HE2 TYR A 72 -5.603 8.088 0.406 1.00 54.41 H new ATOM 0 HH TYR A 72 -4.126 8.269 2.038 1.00 43.51 H new ATOM 1170 N ILE A 73 -8.195 4.475 -1.555 1.00 33.52 N ATOM 1171 CA ILE A 73 -9.237 4.913 -0.635 1.00 44.22 C ATOM 1172 C ILE A 73 -10.031 3.722 -0.104 1.00 3.14 C ATOM 1173 O ILE A 73 -10.238 3.585 1.104 1.00 0.12 O ATOM 1174 CB ILE A 73 -10.181 5.895 -1.344 1.00 52.51 C ATOM 1175 CG1 ILE A 73 -9.377 7.093 -1.853 1.00 22.30 C ATOM 1176 CG2 ILE A 73 -11.295 6.345 -0.407 1.00 42.43 C ATOM 1177 CD1 ILE A 73 -10.033 7.818 -3.002 1.00 43.00 C ATOM 0 H ILE A 73 -8.301 4.833 -2.504 1.00 33.52 H new ATOM 0 HA ILE A 73 -8.761 5.413 0.209 1.00 44.22 H new ATOM 0 HB ILE A 73 -10.648 5.394 -2.192 1.00 52.51 H new ATOM 0 HG12 ILE A 73 -9.226 7.793 -1.032 1.00 22.30 H new ATOM 0 HG13 ILE A 73 -8.391 6.751 -2.166 1.00 22.30 H new ATOM 0 HG21 ILE A 73 -11.952 7.040 -0.930 1.00 42.43 H new ATOM 0 HG22 ILE A 73 -11.870 5.478 -0.082 1.00 42.43 H new ATOM 0 HG23 ILE A 73 -10.862 6.840 0.462 1.00 42.43 H new ATOM 0 HD11 ILE A 73 -9.406 8.655 -3.310 1.00 43.00 H new ATOM 0 HD12 ILE A 73 -10.160 7.132 -3.840 1.00 43.00 H new ATOM 0 HD13 ILE A 73 -11.008 8.191 -2.688 1.00 43.00 H new ATOM 1189 N MET A 74 -10.459 2.862 -1.021 1.00 52.14 N ATOM 1190 CA MET A 74 -11.153 1.626 -0.674 1.00 33.04 C ATOM 1191 C MET A 74 -10.335 0.811 0.331 1.00 11.10 C ATOM 1192 O MET A 74 -10.828 0.413 1.394 1.00 42.43 O ATOM 1193 CB MET A 74 -11.391 0.808 -1.953 1.00 14.10 C ATOM 1194 CG MET A 74 -11.969 -0.574 -1.710 1.00 40.04 C ATOM 1195 SD MET A 74 -12.003 -1.594 -3.189 1.00 74.32 S ATOM 1196 CE MET A 74 -10.280 -2.068 -3.273 1.00 24.30 C ATOM 0 H MET A 74 -10.335 3.001 -2.024 1.00 52.14 H new ATOM 0 HA MET A 74 -12.109 1.870 -0.211 1.00 33.04 H new ATOM 0 HB2 MET A 74 -12.066 1.362 -2.605 1.00 14.10 H new ATOM 0 HB3 MET A 74 -10.446 0.706 -2.486 1.00 14.10 H new ATOM 0 HG2 MET A 74 -11.381 -1.077 -0.942 1.00 40.04 H new ATOM 0 HG3 MET A 74 -12.982 -0.474 -1.321 1.00 40.04 H new ATOM 0 HE1 MET A 74 -10.161 -2.881 -3.989 1.00 24.30 H new ATOM 0 HE2 MET A 74 -9.683 -1.214 -3.592 1.00 24.30 H new ATOM 0 HE3 MET A 74 -9.945 -2.398 -2.290 1.00 24.30 H new ATOM 1206 N LYS A 75 -9.074 0.598 -0.002 1.00 70.13 N ATOM 1207 CA LYS A 75 -8.192 -0.215 0.808 1.00 30.30 C ATOM 1208 C LYS A 75 -7.972 0.396 2.188 1.00 62.40 C ATOM 1209 O LYS A 75 -7.984 -0.316 3.187 1.00 24.01 O ATOM 1210 CB LYS A 75 -6.873 -0.423 0.065 1.00 33.31 C ATOM 1211 CG LYS A 75 -7.065 -1.198 -1.231 1.00 63.41 C ATOM 1212 CD LYS A 75 -5.814 -1.225 -2.081 1.00 0.33 C ATOM 1213 CE LYS A 75 -6.048 -1.982 -3.380 1.00 52.22 C ATOM 1214 NZ LYS A 75 -6.402 -3.413 -3.167 1.00 15.24 N ATOM 0 H LYS A 75 -8.636 0.983 -0.839 1.00 70.13 H new ATOM 0 HA LYS A 75 -8.660 -1.186 0.974 1.00 30.30 H new ATOM 0 HB2 LYS A 75 -6.424 0.546 -0.155 1.00 33.31 H new ATOM 0 HB3 LYS A 75 -6.175 -0.959 0.708 1.00 33.31 H new ATOM 0 HG2 LYS A 75 -7.364 -2.220 -0.998 1.00 63.41 H new ATOM 0 HG3 LYS A 75 -7.878 -0.750 -1.802 1.00 63.41 H new ATOM 0 HD2 LYS A 75 -5.500 -0.205 -2.303 1.00 0.33 H new ATOM 0 HD3 LYS A 75 -5.003 -1.695 -1.524 1.00 0.33 H new ATOM 0 HE2 LYS A 75 -6.848 -1.495 -3.938 1.00 52.22 H new ATOM 0 HE3 LYS A 75 -5.150 -1.924 -3.994 1.00 52.22 H new ATOM 0 HZ1 LYS A 75 -6.285 -3.936 -4.058 1.00 15.24 H new ATOM 0 HZ2 LYS A 75 -5.778 -3.821 -2.441 1.00 15.24 H new ATOM 0 HZ3 LYS A 75 -7.391 -3.483 -2.852 1.00 15.24 H new ATOM 1228 N GLN A 76 -7.809 1.714 2.245 1.00 15.30 N ATOM 1229 CA GLN A 76 -7.623 2.415 3.518 1.00 44.45 C ATOM 1230 C GLN A 76 -8.845 2.263 4.421 1.00 41.32 C ATOM 1231 O GLN A 76 -8.724 2.290 5.647 1.00 10.42 O ATOM 1232 CB GLN A 76 -7.334 3.899 3.287 1.00 71.25 C ATOM 1233 CG GLN A 76 -5.980 4.168 2.655 1.00 11.04 C ATOM 1234 CD GLN A 76 -4.831 3.618 3.477 1.00 11.02 C ATOM 1235 OE1 GLN A 76 -4.299 4.298 4.348 1.00 64.41 O ATOM 1236 NE2 GLN A 76 -4.436 2.385 3.198 1.00 13.12 N ATOM 0 H GLN A 76 -7.801 2.322 1.426 1.00 15.30 H new ATOM 0 HA GLN A 76 -6.766 1.960 4.015 1.00 44.45 H new ATOM 0 HB2 GLN A 76 -8.112 4.316 2.648 1.00 71.25 H new ATOM 0 HB3 GLN A 76 -7.390 4.423 4.241 1.00 71.25 H new ATOM 0 HG2 GLN A 76 -5.954 3.725 1.659 1.00 11.04 H new ATOM 0 HG3 GLN A 76 -5.849 5.243 2.529 1.00 11.04 H new ATOM 0 HE21 GLN A 76 -4.905 1.853 2.465 1.00 13.12 H new ATOM 0 HE22 GLN A 76 -3.662 1.968 3.716 1.00 13.12 H new ATOM 1245 N ARG A 77 -10.017 2.103 3.812 1.00 75.15 N ATOM 1246 CA ARG A 77 -11.245 1.881 4.567 1.00 52.43 C ATOM 1247 C ARG A 77 -11.120 0.648 5.448 1.00 60.20 C ATOM 1248 O ARG A 77 -11.125 0.751 6.676 1.00 21.10 O ATOM 1249 CB ARG A 77 -12.439 1.718 3.632 1.00 73.11 C ATOM 1250 CG ARG A 77 -12.886 3.007 2.975 1.00 22.11 C ATOM 1251 CD ARG A 77 -13.577 3.924 3.971 1.00 22.21 C ATOM 1252 NE ARG A 77 -14.770 3.303 4.556 1.00 13.51 N ATOM 1253 CZ ARG A 77 -15.999 3.814 4.467 1.00 32.01 C ATOM 1254 NH1 ARG A 77 -16.222 4.919 3.764 1.00 62.41 N ATOM 1255 NH2 ARG A 77 -17.020 3.213 5.066 1.00 22.41 N ATOM 0 H ARG A 77 -10.141 2.123 2.800 1.00 75.15 H new ATOM 0 HA ARG A 77 -11.407 2.756 5.197 1.00 52.43 H new ATOM 0 HB2 ARG A 77 -12.184 0.996 2.856 1.00 73.11 H new ATOM 0 HB3 ARG A 77 -13.274 1.300 4.195 1.00 73.11 H new ATOM 0 HG2 ARG A 77 -12.024 3.517 2.546 1.00 22.11 H new ATOM 0 HG3 ARG A 77 -13.565 2.782 2.153 1.00 22.11 H new ATOM 0 HD2 ARG A 77 -12.879 4.187 4.766 1.00 22.21 H new ATOM 0 HD3 ARG A 77 -13.859 4.852 3.474 1.00 22.21 H new ATOM 0 HE ARG A 77 -14.653 2.426 5.063 1.00 13.51 H new ATOM 0 HH11 ARG A 77 -15.450 5.384 3.286 1.00 62.41 H new ATOM 0 HH12 ARG A 77 -17.165 5.302 3.702 1.00 62.41 H new ATOM 0 HH21 ARG A 77 -16.867 2.356 5.598 1.00 22.41 H new ATOM 0 HH22 ARG A 77 -17.958 3.608 4.995 1.00 22.41 H new ATOM 1269 N LEU A 78 -10.990 -0.518 4.823 1.00 32.42 N ATOM 1270 CA LEU A 78 -10.886 -1.760 5.596 1.00 2.14 C ATOM 1271 C LEU A 78 -9.592 -1.782 6.399 1.00 64.40 C ATOM 1272 O LEU A 78 -9.545 -2.341 7.492 1.00 52.11 O ATOM 1273 CB LEU A 78 -10.929 -3.019 4.727 1.00 30.21 C ATOM 1274 CG LEU A 78 -11.836 -2.992 3.500 1.00 43.12 C ATOM 1275 CD1 LEU A 78 -11.075 -2.524 2.268 1.00 73.11 C ATOM 1276 CD2 LEU A 78 -12.400 -4.373 3.264 1.00 45.43 C ATOM 0 H LEU A 78 -10.954 -0.634 3.810 1.00 32.42 H new ATOM 0 HA LEU A 78 -11.755 -1.771 6.253 1.00 2.14 H new ATOM 0 HB2 LEU A 78 -9.914 -3.232 4.392 1.00 30.21 H new ATOM 0 HB3 LEU A 78 -11.238 -3.853 5.357 1.00 30.21 H new ATOM 0 HG LEU A 78 -12.648 -2.288 3.682 1.00 43.12 H new ATOM 0 HD11 LEU A 78 -11.745 -2.514 1.408 1.00 73.11 H new ATOM 0 HD12 LEU A 78 -10.689 -1.519 2.439 1.00 73.11 H new ATOM 0 HD13 LEU A 78 -10.245 -3.203 2.073 1.00 73.11 H new ATOM 0 HD21 LEU A 78 -13.048 -4.356 2.388 1.00 45.43 H new ATOM 0 HD22 LEU A 78 -11.584 -5.076 3.098 1.00 45.43 H new ATOM 0 HD23 LEU A 78 -12.976 -4.685 4.136 1.00 45.43 H new ATOM 1288 N LEU A 79 -8.547 -1.174 5.839 1.00 64.11 N ATOM 1289 CA LEU A 79 -7.227 -1.135 6.468 1.00 54.01 C ATOM 1290 C LEU A 79 -7.327 -0.632 7.906 1.00 14.23 C ATOM 1291 O LEU A 79 -6.812 -1.261 8.828 1.00 33.34 O ATOM 1292 CB LEU A 79 -6.283 -0.260 5.617 1.00 64.01 C ATOM 1293 CG LEU A 79 -4.824 -0.128 6.084 1.00 55.12 C ATOM 1294 CD1 LEU A 79 -4.689 0.946 7.154 1.00 60.14 C ATOM 1295 CD2 LEU A 79 -4.290 -1.464 6.588 1.00 52.44 C ATOM 0 H LEU A 79 -8.591 -0.696 4.939 1.00 64.11 H new ATOM 0 HA LEU A 79 -6.814 -2.143 6.514 1.00 54.01 H new ATOM 0 HB2 LEU A 79 -6.277 -0.660 4.603 1.00 64.01 H new ATOM 0 HB3 LEU A 79 -6.711 0.741 5.562 1.00 64.01 H new ATOM 0 HG LEU A 79 -4.224 0.174 5.225 1.00 55.12 H new ATOM 0 HD11 LEU A 79 -3.647 1.019 7.467 1.00 60.14 H new ATOM 0 HD12 LEU A 79 -5.015 1.905 6.750 1.00 60.14 H new ATOM 0 HD13 LEU A 79 -5.308 0.685 8.012 1.00 60.14 H new ATOM 0 HD21 LEU A 79 -3.256 -1.344 6.912 1.00 52.44 H new ATOM 0 HD22 LEU A 79 -4.896 -1.805 7.427 1.00 52.44 H new ATOM 0 HD23 LEU A 79 -4.335 -2.200 5.785 1.00 52.44 H new ATOM 1307 N LYS A 80 -8.017 0.478 8.098 1.00 31.24 N ATOM 1308 CA LYS A 80 -8.180 1.032 9.432 1.00 3.01 C ATOM 1309 C LYS A 80 -9.084 0.151 10.280 1.00 34.33 C ATOM 1310 O LYS A 80 -8.898 0.047 11.487 1.00 34.35 O ATOM 1311 CB LYS A 80 -8.742 2.449 9.372 1.00 32.14 C ATOM 1312 CG LYS A 80 -7.708 3.526 9.657 1.00 32.14 C ATOM 1313 CD LYS A 80 -7.104 3.383 11.050 1.00 13.31 C ATOM 1314 CE LYS A 80 -8.175 3.373 12.130 1.00 33.21 C ATOM 1315 NZ LYS A 80 -7.591 3.416 13.495 1.00 34.11 N ATOM 0 H LYS A 80 -8.470 1.010 7.355 1.00 31.24 H new ATOM 0 HA LYS A 80 -7.194 1.069 9.895 1.00 3.01 H new ATOM 0 HB2 LYS A 80 -9.170 2.620 8.384 1.00 32.14 H new ATOM 0 HB3 LYS A 80 -9.556 2.539 10.091 1.00 32.14 H new ATOM 0 HG2 LYS A 80 -6.915 3.474 8.911 1.00 32.14 H new ATOM 0 HG3 LYS A 80 -8.171 4.508 9.562 1.00 32.14 H new ATOM 0 HD2 LYS A 80 -6.526 2.461 11.103 1.00 13.31 H new ATOM 0 HD3 LYS A 80 -6.411 4.205 11.232 1.00 13.31 H new ATOM 0 HE2 LYS A 80 -8.837 4.228 11.992 1.00 33.21 H new ATOM 0 HE3 LYS A 80 -8.786 2.477 12.026 1.00 33.21 H new ATOM 0 HZ1 LYS A 80 -8.353 3.356 14.201 1.00 34.11 H new ATOM 0 HZ2 LYS A 80 -6.940 2.614 13.620 1.00 34.11 H new ATOM 0 HZ3 LYS A 80 -7.071 4.307 13.622 1.00 34.11 H new ATOM 1329 N LEU A 81 -10.044 -0.498 9.639 1.00 20.44 N ATOM 1330 CA LEU A 81 -10.999 -1.342 10.338 1.00 73.43 C ATOM 1331 C LEU A 81 -10.320 -2.537 10.991 1.00 61.30 C ATOM 1332 O LEU A 81 -10.632 -2.878 12.125 1.00 22.24 O ATOM 1333 CB LEU A 81 -12.097 -1.795 9.377 1.00 2.43 C ATOM 1334 CG LEU A 81 -13.364 -0.932 9.386 1.00 54.44 C ATOM 1335 CD1 LEU A 81 -13.034 0.549 9.351 1.00 2.14 C ATOM 1336 CD2 LEU A 81 -14.258 -1.281 8.212 1.00 72.34 C ATOM 0 H LEU A 81 -10.182 -0.455 8.629 1.00 20.44 H new ATOM 0 HA LEU A 81 -11.450 -0.754 11.137 1.00 73.43 H new ATOM 0 HB2 LEU A 81 -11.691 -1.807 8.365 1.00 2.43 H new ATOM 0 HB3 LEU A 81 -12.373 -2.821 9.622 1.00 2.43 H new ATOM 0 HG LEU A 81 -13.890 -1.144 10.317 1.00 54.44 H new ATOM 0 HD11 LEU A 81 -13.958 1.128 9.358 1.00 2.14 H new ATOM 0 HD12 LEU A 81 -12.436 0.809 10.224 1.00 2.14 H new ATOM 0 HD13 LEU A 81 -12.471 0.775 8.445 1.00 2.14 H new ATOM 0 HD21 LEU A 81 -15.152 -0.657 8.237 1.00 72.34 H new ATOM 0 HD22 LEU A 81 -13.720 -1.107 7.280 1.00 72.34 H new ATOM 0 HD23 LEU A 81 -14.546 -2.330 8.274 1.00 72.34 H new ATOM 1348 N LEU A 82 -9.378 -3.154 10.294 1.00 54.01 N ATOM 1349 CA LEU A 82 -8.695 -4.328 10.827 1.00 53.21 C ATOM 1350 C LEU A 82 -7.600 -3.942 11.821 1.00 62.45 C ATOM 1351 O LEU A 82 -7.217 -4.741 12.675 1.00 75.20 O ATOM 1352 CB LEU A 82 -8.134 -5.184 9.688 1.00 15.44 C ATOM 1353 CG LEU A 82 -7.331 -4.433 8.627 1.00 72.15 C ATOM 1354 CD1 LEU A 82 -5.833 -4.577 8.859 1.00 22.23 C ATOM 1355 CD2 LEU A 82 -7.706 -4.928 7.246 1.00 35.04 C ATOM 0 H LEU A 82 -9.069 -2.866 9.365 1.00 54.01 H new ATOM 0 HA LEU A 82 -9.428 -4.922 11.374 1.00 53.21 H new ATOM 0 HB2 LEU A 82 -7.498 -5.957 10.119 1.00 15.44 H new ATOM 0 HB3 LEU A 82 -8.964 -5.692 9.197 1.00 15.44 H new ATOM 0 HG LEU A 82 -7.575 -3.373 8.703 1.00 72.15 H new ATOM 0 HD11 LEU A 82 -5.291 -4.031 8.087 1.00 22.23 H new ATOM 0 HD12 LEU A 82 -5.576 -4.172 9.838 1.00 22.23 H new ATOM 0 HD13 LEU A 82 -5.558 -5.631 8.819 1.00 22.23 H new ATOM 0 HD21 LEU A 82 -7.129 -4.387 6.496 1.00 35.04 H new ATOM 0 HD22 LEU A 82 -7.490 -5.994 7.171 1.00 35.04 H new ATOM 0 HD23 LEU A 82 -8.769 -4.760 7.076 1.00 35.04 H new ATOM 1367 N GLU A 83 -7.107 -2.715 11.721 1.00 53.02 N ATOM 1368 CA GLU A 83 -6.107 -2.220 12.662 1.00 65.33 C ATOM 1369 C GLU A 83 -6.774 -1.727 13.941 1.00 44.51 C ATOM 1370 O GLU A 83 -6.268 -1.935 15.047 1.00 5.21 O ATOM 1371 CB GLU A 83 -5.300 -1.083 12.038 1.00 31.32 C ATOM 1372 CG GLU A 83 -4.430 -1.511 10.869 1.00 34.41 C ATOM 1373 CD GLU A 83 -3.292 -2.424 11.287 1.00 4.10 C ATOM 1374 OE1 GLU A 83 -2.219 -1.909 11.661 1.00 61.32 O ATOM 1375 OE2 GLU A 83 -3.459 -3.661 11.240 1.00 24.30 O ATOM 0 H GLU A 83 -7.381 -2.045 11.002 1.00 53.02 H new ATOM 0 HA GLU A 83 -5.435 -3.044 12.904 1.00 65.33 H new ATOM 0 HB2 GLU A 83 -5.987 -0.306 11.701 1.00 31.32 H new ATOM 0 HB3 GLU A 83 -4.666 -0.638 12.805 1.00 31.32 H new ATOM 0 HG2 GLU A 83 -5.047 -2.022 10.130 1.00 34.41 H new ATOM 0 HG3 GLU A 83 -4.020 -0.625 10.384 1.00 34.41 H new ATOM 1382 N ASP A 84 -7.919 -1.081 13.774 1.00 64.21 N ATOM 1383 CA ASP A 84 -8.646 -0.477 14.885 1.00 61.04 C ATOM 1384 C ASP A 84 -9.610 -1.485 15.494 1.00 12.52 C ATOM 1385 O ASP A 84 -10.112 -1.294 16.601 1.00 22.54 O ATOM 1386 CB ASP A 84 -9.425 0.740 14.384 1.00 30.22 C ATOM 1387 CG ASP A 84 -9.785 1.719 15.480 1.00 64.12 C ATOM 1388 OD1 ASP A 84 -8.987 2.648 15.725 1.00 30.32 O ATOM 1389 OD2 ASP A 84 -10.877 1.597 16.071 1.00 72.41 O ATOM 0 H ASP A 84 -8.371 -0.960 12.867 1.00 64.21 H new ATOM 0 HA ASP A 84 -7.932 -0.166 15.648 1.00 61.04 H new ATOM 0 HB2 ASP A 84 -8.832 1.255 13.628 1.00 30.22 H new ATOM 0 HB3 ASP A 84 -10.339 0.401 13.896 1.00 30.22 H new ATOM 1394 N LYS A 85 -9.857 -2.561 14.746 1.00 52.31 N ATOM 1395 CA LYS A 85 -10.771 -3.627 15.155 1.00 73.34 C ATOM 1396 C LYS A 85 -12.206 -3.121 15.196 1.00 4.51 C ATOM 1397 O LYS A 85 -12.976 -3.432 16.109 1.00 13.33 O ATOM 1398 CB LYS A 85 -10.353 -4.225 16.499 1.00 3.32 C ATOM 1399 CG LYS A 85 -8.996 -4.899 16.446 1.00 31.22 C ATOM 1400 CD LYS A 85 -8.977 -6.041 15.440 1.00 65.25 C ATOM 1401 CE LYS A 85 -7.740 -6.906 15.607 1.00 51.24 C ATOM 1402 NZ LYS A 85 -7.744 -7.636 16.904 1.00 23.50 N ATOM 0 H LYS A 85 -9.426 -2.718 13.835 1.00 52.31 H new ATOM 0 HA LYS A 85 -10.718 -4.423 14.412 1.00 73.34 H new ATOM 0 HB2 LYS A 85 -10.333 -3.437 17.252 1.00 3.32 H new ATOM 0 HB3 LYS A 85 -11.102 -4.950 16.817 1.00 3.32 H new ATOM 0 HG2 LYS A 85 -8.235 -4.166 16.179 1.00 31.22 H new ATOM 0 HG3 LYS A 85 -8.739 -5.280 17.435 1.00 31.22 H new ATOM 0 HD2 LYS A 85 -9.870 -6.653 15.565 1.00 65.25 H new ATOM 0 HD3 LYS A 85 -9.006 -5.637 14.428 1.00 65.25 H new ATOM 0 HE2 LYS A 85 -7.685 -7.622 14.787 1.00 51.24 H new ATOM 0 HE3 LYS A 85 -6.849 -6.281 15.545 1.00 51.24 H new ATOM 0 HZ1 LYS A 85 -7.082 -8.437 16.854 1.00 23.50 H new ATOM 0 HZ2 LYS A 85 -7.451 -6.992 17.666 1.00 23.50 H new ATOM 0 HZ3 LYS A 85 -8.702 -7.990 17.100 1.00 23.50 H new ATOM 1416 N SER A 86 -12.557 -2.362 14.172 1.00 42.20 N ATOM 1417 CA SER A 86 -13.889 -1.815 14.033 1.00 3.10 C ATOM 1418 C SER A 86 -14.851 -2.888 13.522 1.00 71.11 C ATOM 1419 O SER A 86 -14.565 -3.579 12.540 1.00 11.44 O ATOM 1420 CB SER A 86 -13.847 -0.634 13.065 1.00 42.30 C ATOM 1421 OG SER A 86 -12.784 0.243 13.389 1.00 35.44 O ATOM 0 H SER A 86 -11.923 -2.109 13.414 1.00 42.20 H new ATOM 0 HA SER A 86 -14.245 -1.473 15.005 1.00 3.10 H new ATOM 0 HB2 SER A 86 -13.726 -0.998 12.045 1.00 42.30 H new ATOM 0 HB3 SER A 86 -14.793 -0.095 13.101 1.00 42.30 H new ATOM 0 HG SER A 86 -12.773 0.992 12.757 1.00 35.44 H new ATOM 1427 N ASN A 87 -15.995 -3.010 14.182 1.00 22.12 N ATOM 1428 CA ASN A 87 -16.994 -4.024 13.844 1.00 51.04 C ATOM 1429 C ASN A 87 -17.568 -3.816 12.445 1.00 54.12 C ATOM 1430 O ASN A 87 -18.281 -4.671 11.929 1.00 32.42 O ATOM 1431 CB ASN A 87 -18.139 -4.008 14.861 1.00 31.10 C ATOM 1432 CG ASN A 87 -18.937 -2.716 14.827 1.00 63.14 C ATOM 1433 OD1 ASN A 87 -18.397 -1.637 14.579 1.00 11.42 O ATOM 1434 ND2 ASN A 87 -20.233 -2.818 15.063 1.00 5.15 N ATOM 0 H ASN A 87 -16.259 -2.412 14.965 1.00 22.12 H new ATOM 0 HA ASN A 87 -16.488 -4.989 13.869 1.00 51.04 H new ATOM 0 HB2 ASN A 87 -18.806 -4.847 14.664 1.00 31.10 H new ATOM 0 HB3 ASN A 87 -17.732 -4.152 15.862 1.00 31.10 H new ATOM 0 HD21 ASN A 87 -20.822 -1.986 15.043 1.00 5.15 H new ATOM 0 HD22 ASN A 87 -20.644 -3.729 15.265 1.00 5.15 H new ATOM 1441 N LEU A 88 -17.250 -2.685 11.834 1.00 11.13 N ATOM 1442 CA LEU A 88 -17.786 -2.349 10.518 1.00 53.01 C ATOM 1443 C LEU A 88 -17.415 -3.408 9.482 1.00 5.12 C ATOM 1444 O LEU A 88 -18.255 -3.819 8.681 1.00 72.45 O ATOM 1445 CB LEU A 88 -17.309 -0.966 10.059 1.00 4.23 C ATOM 1446 CG LEU A 88 -17.869 0.226 10.845 1.00 73.41 C ATOM 1447 CD1 LEU A 88 -19.355 0.041 11.113 1.00 0.32 C ATOM 1448 CD2 LEU A 88 -17.106 0.437 12.144 1.00 42.30 C ATOM 0 H LEU A 88 -16.623 -1.982 12.226 1.00 11.13 H new ATOM 0 HA LEU A 88 -18.872 -2.324 10.608 1.00 53.01 H new ATOM 0 HB2 LEU A 88 -16.221 -0.939 10.120 1.00 4.23 H new ATOM 0 HB3 LEU A 88 -17.573 -0.841 9.009 1.00 4.23 H new ATOM 0 HG LEU A 88 -17.739 1.121 10.236 1.00 73.41 H new ATOM 0 HD11 LEU A 88 -19.733 0.897 11.672 1.00 0.32 H new ATOM 0 HD12 LEU A 88 -19.888 -0.039 10.166 1.00 0.32 H new ATOM 0 HD13 LEU A 88 -19.510 -0.868 11.694 1.00 0.32 H new ATOM 0 HD21 LEU A 88 -17.526 1.289 12.679 1.00 42.30 H new ATOM 0 HD22 LEU A 88 -17.188 -0.456 12.763 1.00 42.30 H new ATOM 0 HD23 LEU A 88 -16.056 0.630 11.922 1.00 42.30 H new ATOM 1460 N LEU A 89 -16.164 -3.858 9.497 1.00 2.12 N ATOM 1461 CA LEU A 89 -15.752 -4.937 8.604 1.00 60.21 C ATOM 1462 C LEU A 89 -15.699 -6.269 9.346 1.00 31.13 C ATOM 1463 O LEU A 89 -15.852 -7.337 8.757 1.00 64.15 O ATOM 1464 CB LEU A 89 -14.385 -4.633 7.976 1.00 61.20 C ATOM 1465 CG LEU A 89 -13.740 -5.805 7.250 1.00 64.42 C ATOM 1466 CD1 LEU A 89 -14.502 -6.143 5.981 1.00 4.32 C ATOM 1467 CD2 LEU A 89 -12.284 -5.499 6.963 1.00 42.22 C ATOM 0 H LEU A 89 -15.429 -3.500 10.106 1.00 2.12 H new ATOM 0 HA LEU A 89 -16.494 -5.011 7.809 1.00 60.21 H new ATOM 0 HB2 LEU A 89 -14.499 -3.807 7.274 1.00 61.20 H new ATOM 0 HB3 LEU A 89 -13.708 -4.293 8.760 1.00 61.20 H new ATOM 0 HG LEU A 89 -13.781 -6.684 7.893 1.00 64.42 H new ATOM 0 HD11 LEU A 89 -14.021 -6.984 5.481 1.00 4.32 H new ATOM 0 HD12 LEU A 89 -15.528 -6.410 6.233 1.00 4.32 H new ATOM 0 HD13 LEU A 89 -14.504 -5.279 5.317 1.00 4.32 H new ATOM 0 HD21 LEU A 89 -11.830 -6.343 6.443 1.00 42.22 H new ATOM 0 HD22 LEU A 89 -12.216 -4.609 6.338 1.00 42.22 H new ATOM 0 HD23 LEU A 89 -11.757 -5.325 7.901 1.00 42.22 H new ATOM 1479 N LEU A 90 -15.518 -6.192 10.648 1.00 14.31 N ATOM 1480 CA LEU A 90 -15.191 -7.366 11.445 1.00 11.33 C ATOM 1481 C LEU A 90 -16.350 -7.833 12.325 1.00 12.21 C ATOM 1482 O LEU A 90 -16.126 -8.476 13.351 1.00 11.23 O ATOM 1483 CB LEU A 90 -13.991 -7.029 12.320 1.00 74.52 C ATOM 1484 CG LEU A 90 -12.850 -6.328 11.585 1.00 43.25 C ATOM 1485 CD1 LEU A 90 -11.977 -5.579 12.565 1.00 13.45 C ATOM 1486 CD2 LEU A 90 -12.021 -7.323 10.794 1.00 63.24 C ATOM 0 H LEU A 90 -15.591 -5.327 11.183 1.00 14.31 H new ATOM 0 HA LEU A 90 -14.970 -8.185 10.761 1.00 11.33 H new ATOM 0 HB2 LEU A 90 -14.323 -6.393 13.141 1.00 74.52 H new ATOM 0 HB3 LEU A 90 -13.610 -7.949 12.763 1.00 74.52 H new ATOM 0 HG LEU A 90 -13.284 -5.615 10.884 1.00 43.25 H new ATOM 0 HD11 LEU A 90 -11.168 -5.084 12.027 1.00 13.45 H new ATOM 0 HD12 LEU A 90 -12.575 -4.833 13.088 1.00 13.45 H new ATOM 0 HD13 LEU A 90 -11.558 -6.279 13.287 1.00 13.45 H new ATOM 0 HD21 LEU A 90 -11.216 -6.798 10.280 1.00 63.24 H new ATOM 0 HD22 LEU A 90 -11.597 -8.064 11.472 1.00 63.24 H new ATOM 0 HD23 LEU A 90 -12.654 -7.823 10.061 1.00 63.24 H new ATOM 1498 N TYR A 91 -17.583 -7.531 11.939 1.00 12.42 N ATOM 1499 CA TYR A 91 -18.727 -7.992 12.716 1.00 42.23 C ATOM 1500 C TYR A 91 -18.939 -9.491 12.528 1.00 22.31 C ATOM 1501 O TYR A 91 -18.469 -10.086 11.547 1.00 4.30 O ATOM 1502 CB TYR A 91 -20.006 -7.223 12.356 1.00 54.25 C ATOM 1503 CG TYR A 91 -20.482 -7.411 10.933 1.00 45.02 C ATOM 1504 CD1 TYR A 91 -21.106 -8.591 10.531 1.00 40.55 C ATOM 1505 CD2 TYR A 91 -20.317 -6.403 9.992 1.00 72.15 C ATOM 1506 CE1 TYR A 91 -21.545 -8.755 9.236 1.00 75.43 C ATOM 1507 CE2 TYR A 91 -20.757 -6.561 8.695 1.00 23.12 C ATOM 1508 CZ TYR A 91 -21.371 -7.738 8.322 1.00 72.42 C ATOM 1509 OH TYR A 91 -21.812 -7.902 7.032 1.00 25.11 O ATOM 0 H TYR A 91 -17.815 -6.981 11.112 1.00 12.42 H new ATOM 0 HA TYR A 91 -18.506 -7.797 13.765 1.00 42.23 H new ATOM 0 HB2 TYR A 91 -20.802 -7.532 13.034 1.00 54.25 H new ATOM 0 HB3 TYR A 91 -19.835 -6.161 12.529 1.00 54.25 H new ATOM 0 HD1 TYR A 91 -21.247 -9.388 11.246 1.00 40.55 H new ATOM 0 HD2 TYR A 91 -19.836 -5.480 10.281 1.00 72.15 H new ATOM 0 HE1 TYR A 91 -22.023 -9.676 8.938 1.00 75.43 H new ATOM 0 HE2 TYR A 91 -20.622 -5.767 7.975 1.00 23.12 H new ATOM 0 HH TYR A 91 -21.615 -7.094 6.514 1.00 25.11 H new ATOM 1519 N SER A 92 -19.663 -10.085 13.461 1.00 42.53 N ATOM 1520 CA SER A 92 -19.928 -11.510 13.443 1.00 52.31 C ATOM 1521 C SER A 92 -21.125 -11.810 12.547 1.00 55.42 C ATOM 1522 O SER A 92 -22.096 -11.058 12.514 1.00 54.31 O ATOM 1523 CB SER A 92 -20.183 -12.014 14.869 1.00 51.24 C ATOM 1524 OG SER A 92 -20.365 -13.420 14.899 1.00 2.05 O ATOM 0 H SER A 92 -20.082 -9.593 14.250 1.00 42.53 H new ATOM 0 HA SER A 92 -19.058 -12.029 13.041 1.00 52.31 H new ATOM 0 HB2 SER A 92 -19.343 -11.741 15.508 1.00 51.24 H new ATOM 0 HB3 SER A 92 -21.067 -11.523 15.277 1.00 51.24 H new ATOM 0 HG SER A 92 -20.524 -13.710 15.822 1.00 2.05 H new ATOM 1530 N CYS A 93 -21.031 -12.902 11.812 1.00 73.13 N ATOM 1531 CA CYS A 93 -22.088 -13.332 10.905 1.00 12.12 C ATOM 1532 C CYS A 93 -22.245 -14.845 10.985 1.00 50.32 C ATOM 1533 O CYS A 93 -21.384 -15.526 11.540 1.00 1.21 O ATOM 1534 CB CYS A 93 -21.727 -12.962 9.478 1.00 23.34 C ATOM 1535 SG CYS A 93 -20.461 -14.065 8.774 1.00 14.51 S ATOM 0 H CYS A 93 -20.219 -13.520 11.824 1.00 73.13 H new ATOM 0 HA CYS A 93 -23.018 -12.841 11.192 1.00 12.12 H new ATOM 0 HB2 CYS A 93 -22.623 -12.999 8.858 1.00 23.34 H new ATOM 0 HB3 CYS A 93 -21.364 -11.934 9.453 1.00 23.34 H new ATOM 1540 N ASN A 94 -23.300 -15.376 10.386 1.00 64.24 N ATOM 1541 CA ASN A 94 -23.541 -16.811 10.419 1.00 2.51 C ATOM 1542 C ASN A 94 -23.296 -17.444 9.047 1.00 34.40 C ATOM 1543 O ASN A 94 -24.235 -17.869 8.378 1.00 4.53 O ATOM 1544 CB ASN A 94 -24.975 -17.106 10.877 1.00 72.11 C ATOM 1545 CG ASN A 94 -25.183 -18.554 11.299 1.00 12.33 C ATOM 1546 OD1 ASN A 94 -25.121 -18.882 12.482 1.00 2.13 O ATOM 1547 ND2 ASN A 94 -25.417 -19.432 10.338 1.00 62.23 N ATOM 0 H ASN A 94 -24.000 -14.839 9.874 1.00 64.24 H new ATOM 0 HA ASN A 94 -22.841 -17.248 11.132 1.00 2.51 H new ATOM 0 HB2 ASN A 94 -25.225 -16.451 11.712 1.00 72.11 H new ATOM 0 HB3 ASN A 94 -25.665 -16.867 10.067 1.00 72.11 H new ATOM 0 HD21 ASN A 94 -25.553 -20.416 10.568 1.00 62.23 H new ATOM 0 HD22 ASN A 94 -25.462 -19.125 9.366 1.00 62.23 H new ATOM 1554 N CYS A 95 -22.043 -17.471 8.599 1.00 1.14 N ATOM 1555 CA CYS A 95 -21.711 -18.234 7.398 1.00 5.24 C ATOM 1556 C CYS A 95 -21.456 -19.695 7.751 1.00 74.20 C ATOM 1557 O CYS A 95 -21.636 -20.586 6.924 1.00 21.50 O ATOM 1558 CB CYS A 95 -20.497 -17.654 6.681 1.00 22.44 C ATOM 1559 SG CYS A 95 -20.865 -16.230 5.611 1.00 42.33 S ATOM 0 H CYS A 95 -21.259 -16.987 9.036 1.00 1.14 H new ATOM 0 HA CYS A 95 -22.564 -18.169 6.722 1.00 5.24 H new ATOM 0 HB2 CYS A 95 -19.760 -17.353 7.426 1.00 22.44 H new ATOM 0 HB3 CYS A 95 -20.038 -18.437 6.078 1.00 22.44 H new ATOM 1564 N LYS A 96 -21.031 -19.930 8.987 1.00 3.20 N ATOM 1565 CA LYS A 96 -20.810 -21.283 9.478 1.00 64.14 C ATOM 1566 C LYS A 96 -21.585 -21.500 10.774 1.00 74.24 C ATOM 1567 O LYS A 96 -22.177 -22.558 10.986 1.00 21.23 O ATOM 1568 CB LYS A 96 -19.312 -21.560 9.683 1.00 74.12 C ATOM 1569 CG LYS A 96 -18.608 -20.588 10.619 1.00 42.52 C ATOM 1570 CD LYS A 96 -17.120 -20.904 10.743 1.00 41.23 C ATOM 1571 CE LYS A 96 -16.874 -22.278 11.354 1.00 12.01 C ATOM 1572 NZ LYS A 96 -15.424 -22.611 11.418 1.00 72.43 N ATOM 0 H LYS A 96 -20.832 -19.198 9.669 1.00 3.20 H new ATOM 0 HA LYS A 96 -21.175 -21.986 8.729 1.00 64.14 H new ATOM 0 HB2 LYS A 96 -19.193 -22.570 10.074 1.00 74.12 H new ATOM 0 HB3 LYS A 96 -18.815 -21.533 8.713 1.00 74.12 H new ATOM 0 HG2 LYS A 96 -18.735 -19.570 10.250 1.00 42.52 H new ATOM 0 HG3 LYS A 96 -19.073 -20.630 11.604 1.00 42.52 H new ATOM 0 HD2 LYS A 96 -16.657 -20.858 9.757 1.00 41.23 H new ATOM 0 HD3 LYS A 96 -16.638 -20.143 11.357 1.00 41.23 H new ATOM 0 HE2 LYS A 96 -17.297 -22.309 12.358 1.00 12.01 H new ATOM 0 HE3 LYS A 96 -17.394 -23.034 10.766 1.00 12.01 H new ATOM 0 HZ1 LYS A 96 -15.303 -23.554 11.840 1.00 72.43 H new ATOM 0 HZ2 LYS A 96 -15.024 -22.607 10.458 1.00 72.43 H new ATOM 0 HZ3 LYS A 96 -14.931 -21.905 12.001 1.00 72.43 H new ATOM 1586 N PHE A 97 -21.580 -20.484 11.630 1.00 3.13 N ATOM 1587 CA PHE A 97 -22.327 -20.507 12.880 1.00 22.54 C ATOM 1588 C PHE A 97 -22.253 -19.131 13.523 1.00 0.13 C ATOM 1589 O PHE A 97 -21.610 -18.230 12.982 1.00 1.10 O ATOM 1590 CB PHE A 97 -21.749 -21.555 13.852 1.00 52.23 C ATOM 1591 CG PHE A 97 -20.426 -21.158 14.462 1.00 62.23 C ATOM 1592 CD1 PHE A 97 -20.385 -20.321 15.568 1.00 13.33 C ATOM 1593 CD2 PHE A 97 -19.233 -21.613 13.931 1.00 23.52 C ATOM 1594 CE1 PHE A 97 -19.187 -19.945 16.128 1.00 62.20 C ATOM 1595 CE2 PHE A 97 -18.025 -21.241 14.489 1.00 73.50 C ATOM 1596 CZ PHE A 97 -18.001 -20.405 15.589 1.00 0.21 C ATOM 0 H PHE A 97 -21.058 -19.622 11.476 1.00 3.13 H new ATOM 0 HA PHE A 97 -23.362 -20.773 12.665 1.00 22.54 H new ATOM 0 HB2 PHE A 97 -22.469 -21.731 14.652 1.00 52.23 H new ATOM 0 HB3 PHE A 97 -21.625 -22.499 13.322 1.00 52.23 H new ATOM 0 HD1 PHE A 97 -21.308 -19.959 15.996 1.00 13.33 H new ATOM 0 HD2 PHE A 97 -19.246 -22.266 13.071 1.00 23.52 H new ATOM 0 HE1 PHE A 97 -19.173 -19.291 16.988 1.00 62.20 H new ATOM 0 HE2 PHE A 97 -17.100 -21.603 14.066 1.00 73.50 H new ATOM 0 HZ PHE A 97 -17.058 -20.112 16.026 1.00 0.21 H new ATOM 1606 N SER A 98 -22.908 -18.977 14.664 1.00 41.22 N ATOM 1607 CA SER A 98 -22.721 -17.814 15.510 1.00 54.24 C ATOM 1608 C SER A 98 -23.131 -18.130 16.933 1.00 55.44 C ATOM 1609 O SER A 98 -23.864 -19.090 17.176 1.00 33.22 O ATOM 1610 CB SER A 98 -23.547 -16.628 15.033 1.00 73.21 C ATOM 1611 OG SER A 98 -23.144 -16.185 13.751 1.00 13.35 O ATOM 0 H SER A 98 -23.581 -19.653 15.026 1.00 41.22 H new ATOM 0 HA SER A 98 -21.663 -17.554 15.462 1.00 54.24 H new ATOM 0 HB2 SER A 98 -24.600 -16.907 15.006 1.00 73.21 H new ATOM 0 HB3 SER A 98 -23.452 -15.809 15.746 1.00 73.21 H new ATOM 0 HG SER A 98 -22.337 -16.668 13.477 1.00 13.35 H new ATOM 1617 N LYS A 99 -22.628 -17.328 17.861 1.00 35.10 N ATOM 1618 CA LYS A 99 -23.127 -17.298 19.227 1.00 72.41 C ATOM 1619 C LYS A 99 -23.049 -18.659 19.901 1.00 11.20 C ATOM 1620 O LYS A 99 -24.048 -19.172 20.408 1.00 42.43 O ATOM 1621 CB LYS A 99 -24.566 -16.777 19.251 1.00 40.52 C ATOM 1622 CG LYS A 99 -24.742 -15.469 18.495 1.00 61.11 C ATOM 1623 CD LYS A 99 -23.761 -14.402 18.964 1.00 30.35 C ATOM 1624 CE LYS A 99 -24.228 -13.705 20.232 1.00 43.34 C ATOM 1625 NZ LYS A 99 -24.245 -14.599 21.426 1.00 2.22 N ATOM 0 H LYS A 99 -21.861 -16.679 17.687 1.00 35.10 H new ATOM 0 HA LYS A 99 -22.485 -16.622 19.792 1.00 72.41 H new ATOM 0 HB2 LYS A 99 -25.226 -17.530 18.820 1.00 40.52 H new ATOM 0 HB3 LYS A 99 -24.877 -16.636 20.286 1.00 40.52 H new ATOM 0 HG2 LYS A 99 -24.603 -15.645 17.428 1.00 61.11 H new ATOM 0 HG3 LYS A 99 -25.762 -15.108 18.628 1.00 61.11 H new ATOM 0 HD2 LYS A 99 -22.788 -14.859 19.141 1.00 30.35 H new ATOM 0 HD3 LYS A 99 -23.627 -13.663 18.174 1.00 30.35 H new ATOM 0 HE2 LYS A 99 -23.575 -12.855 20.432 1.00 43.34 H new ATOM 0 HE3 LYS A 99 -25.230 -13.306 20.071 1.00 43.34 H new ATOM 0 HZ1 LYS A 99 -24.066 -14.037 22.283 1.00 2.22 H new ATOM 0 HZ2 LYS A 99 -25.174 -15.059 21.502 1.00 2.22 H new ATOM 0 HZ3 LYS A 99 -23.506 -15.324 21.327 1.00 2.22 H new ATOM 1639 N LYS A 100 -21.864 -19.254 19.884 1.00 33.11 N ATOM 1640 CA LYS A 100 -21.605 -20.417 20.711 1.00 41.45 C ATOM 1641 C LYS A 100 -21.784 -20.006 22.164 1.00 11.55 C ATOM 1642 O LYS A 100 -22.439 -20.687 22.954 1.00 31.23 O ATOM 1643 CB LYS A 100 -20.191 -20.956 20.464 1.00 10.34 C ATOM 1644 CG LYS A 100 -19.807 -22.084 21.404 1.00 44.43 C ATOM 1645 CD LYS A 100 -18.940 -21.595 22.556 1.00 41.14 C ATOM 1646 CE LYS A 100 -18.954 -22.576 23.719 1.00 75.21 C ATOM 1647 NZ LYS A 100 -18.568 -23.949 23.305 1.00 3.32 N ATOM 0 H LYS A 100 -21.076 -18.952 19.311 1.00 33.11 H new ATOM 0 HA LYS A 100 -22.301 -21.218 20.462 1.00 41.45 H new ATOM 0 HB2 LYS A 100 -20.118 -21.309 19.435 1.00 10.34 H new ATOM 0 HB3 LYS A 100 -19.475 -20.142 20.573 1.00 10.34 H new ATOM 0 HG2 LYS A 100 -20.710 -22.548 21.801 1.00 44.43 H new ATOM 0 HG3 LYS A 100 -19.271 -22.853 20.848 1.00 44.43 H new ATOM 0 HD2 LYS A 100 -17.916 -21.455 22.209 1.00 41.14 H new ATOM 0 HD3 LYS A 100 -19.297 -20.622 22.894 1.00 41.14 H new ATOM 0 HE2 LYS A 100 -18.271 -22.227 24.493 1.00 75.21 H new ATOM 0 HE3 LYS A 100 -19.951 -22.599 24.160 1.00 75.21 H new ATOM 0 HZ1 LYS A 100 -18.444 -24.544 24.149 1.00 3.32 H new ATOM 0 HZ2 LYS A 100 -19.314 -24.353 22.703 1.00 3.32 H new ATOM 0 HZ3 LYS A 100 -17.675 -23.913 22.773 1.00 3.32 H new ATOM 1661 N LYS A 101 -21.178 -18.880 22.493 1.00 63.21 N ATOM 1662 CA LYS A 101 -21.403 -18.214 23.744 1.00 3.24 C ATOM 1663 C LYS A 101 -22.498 -17.157 23.587 1.00 20.43 C ATOM 1664 O LYS A 101 -22.379 -16.305 22.674 1.00 37.77 O ATOM 1665 CB LYS A 101 -20.106 -17.564 24.239 1.00 32.41 C ATOM 1666 CG LYS A 101 -20.272 -16.885 25.578 1.00 62.50 C ATOM 1667 CD LYS A 101 -20.843 -17.862 26.577 1.00 70.22 C ATOM 1668 CE LYS A 101 -21.608 -17.158 27.683 1.00 2.02 C ATOM 1669 NZ LYS A 101 -22.786 -16.411 27.157 1.00 33.21 N ATOM 1670 OXT LYS A 101 -23.454 -17.168 24.390 1.00 37.77 O ATOM 0 H LYS A 101 -20.510 -18.404 21.886 1.00 63.21 H new ATOM 0 HA LYS A 101 -21.728 -18.949 24.480 1.00 3.24 H new ATOM 0 HB2 LYS A 101 -19.329 -18.324 24.315 1.00 32.41 H new ATOM 0 HB3 LYS A 101 -19.767 -16.833 23.505 1.00 32.41 H new ATOM 0 HG2 LYS A 101 -19.310 -16.512 25.929 1.00 62.50 H new ATOM 0 HG3 LYS A 101 -20.932 -16.023 25.480 1.00 62.50 H new ATOM 0 HD2 LYS A 101 -21.505 -18.560 26.065 1.00 70.22 H new ATOM 0 HD3 LYS A 101 -20.035 -18.450 27.012 1.00 70.22 H new ATOM 0 HE2 LYS A 101 -21.942 -17.891 28.417 1.00 2.02 H new ATOM 0 HE3 LYS A 101 -20.943 -16.468 28.202 1.00 2.02 H new ATOM 0 HZ1 LYS A 101 -23.620 -16.620 27.743 1.00 33.21 H new ATOM 0 HZ2 LYS A 101 -22.590 -15.390 27.185 1.00 33.21 H new ATOM 0 HZ3 LYS A 101 -22.971 -16.701 26.176 1.00 33.21 H new TER 1684 LYS A 101 HETATM 1685 ZN ZN A 201 -20.329 -14.116 6.454 1.00 62.03 ZN