USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 764 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 99:sc= 0.192 USER MOD Set 1.2: A 72 TYR OH : rot 120:sc= 0.149 USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0.866 USER MOD Set 2.2: A 62 THR OG1 : rot -121:sc= 1.12 USER MOD Set 3.1: A 12 ASN :FLIP amide:sc= -0.187 F(o=-0.52,f=0.2) USER MOD Set 3.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 17 THR OG1 : rot 29:sc= 0.383 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.003) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -58:sc= 0.863 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.605 USER MOD Single : A 40 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.507) USER MOD Single : A 45 ASN : amide:sc= -3.02! C(o=-3!,f=-2.6!) USER MOD Single : A 50 LYS NZ :NH3+ -134:sc= -0.128 (180deg=-0.594) USER MOD Single : A 52 ASN : amide:sc= -0.682! C(o=-0.68!,f=-11!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.18 USER MOD Single : A 55 ASN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 59 ASN : amide:sc= -5.4! C(o=-5.4!,f=-14!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 155:sc= -0.0554 (180deg=-0.335) USER MOD Single : A 80 ASN : amide:sc= -7.01! C(o=-7!,f=-8.3!) USER MOD Single : A 86 SER OG : rot 47:sc= 0.468 USER MOD Single : A 89 SER OG : rot -142:sc= 0.0531 USER MOD Single : A 92 SER OG : rot -82:sc= -0.332 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 69:sc= -0.0979 USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -18.878 -3.180 -5.223 1.00 0.68 N ATOM 27 CA ILE A 2 -17.781 -2.521 -4.527 1.00 0.61 C ATOM 28 C ILE A 2 -16.604 -2.239 -5.459 1.00 0.57 C ATOM 29 O ILE A 2 -16.334 -3.000 -6.387 1.00 0.63 O ATOM 30 CB ILE A 2 -17.301 -3.377 -3.338 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.358 -2.556 -2.437 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.638 -4.656 -3.846 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.362 -3.377 -1.635 1.00 0.56 C ATOM 0 HA ILE A 2 -18.162 -1.568 -4.160 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.158 -3.670 -2.732 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.807 -1.851 -3.060 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.961 -1.967 -1.746 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.303 -5.253 -2.998 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.356 -5.229 -4.433 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.782 -4.399 -4.470 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.743 -2.712 -1.033 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.899 -4.064 -0.981 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.728 -3.945 -2.315 1.00 0.56 H new ATOM 45 N ASP A 3 -15.907 -1.138 -5.195 1.00 0.55 N ATOM 46 CA ASP A 3 -14.753 -0.744 -5.995 1.00 0.54 C ATOM 47 C ASP A 3 -13.600 -0.325 -5.084 1.00 0.47 C ATOM 48 O ASP A 3 -13.775 0.519 -4.206 1.00 0.49 O ATOM 49 CB ASP A 3 -15.124 0.409 -6.934 1.00 0.61 C ATOM 50 CG ASP A 3 -16.018 -0.037 -8.075 1.00 1.15 C ATOM 51 OD1 ASP A 3 -17.244 -0.136 -7.864 1.00 2.00 O ATOM 52 OD2 ASP A 3 -15.491 -0.284 -9.180 1.00 1.64 O ATOM 0 H ASP A 3 -16.123 -0.500 -4.429 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.438 -1.598 -6.595 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.629 1.189 -6.364 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.214 0.850 -7.341 1.00 0.61 H new ATOM 57 N PRO A 4 -12.403 -0.908 -5.270 1.00 0.44 N ATOM 58 CA PRO A 4 -11.238 -0.580 -4.446 1.00 0.41 C ATOM 59 C PRO A 4 -10.658 0.792 -4.777 1.00 0.38 C ATOM 60 O PRO A 4 -10.946 1.363 -5.827 1.00 0.43 O ATOM 61 CB PRO A 4 -10.241 -1.684 -4.789 1.00 0.45 C ATOM 62 CG PRO A 4 -10.590 -2.072 -6.184 1.00 0.50 C ATOM 63 CD PRO A 4 -12.086 -1.929 -6.288 1.00 0.50 C ATOM 0 HA PRO A 4 -11.489 -0.529 -3.386 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.213 -1.328 -4.720 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.332 -2.529 -4.106 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.085 -1.431 -6.906 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.279 -3.095 -6.394 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.391 -1.611 -7.285 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.595 -2.871 -6.084 1.00 0.50 H new ATOM 71 N PRO A 5 -9.829 1.340 -3.873 1.00 0.37 N ATOM 72 CA PRO A 5 -9.206 2.655 -4.061 1.00 0.39 C ATOM 73 C PRO A 5 -8.372 2.737 -5.337 1.00 0.38 C ATOM 74 O PRO A 5 -8.244 1.758 -6.073 1.00 0.47 O ATOM 75 CB PRO A 5 -8.308 2.807 -2.830 1.00 0.46 C ATOM 76 CG PRO A 5 -8.878 1.877 -1.817 1.00 0.71 C ATOM 77 CD PRO A 5 -9.438 0.723 -2.592 1.00 0.43 C ATOM 0 HA PRO A 5 -9.955 3.441 -4.163 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.274 2.551 -3.062 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.308 3.835 -2.466 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -8.112 1.543 -1.118 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.654 2.367 -1.229 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.698 -0.065 -2.733 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.291 0.272 -2.084 1.00 0.43 H new ATOM 85 N GLY A 6 -7.809 3.915 -5.588 1.00 0.37 N ATOM 86 CA GLY A 6 -6.991 4.115 -6.775 1.00 0.39 C ATOM 87 C GLY A 6 -5.647 3.411 -6.690 1.00 0.42 C ATOM 88 O GLY A 6 -5.304 2.843 -5.653 1.00 0.66 O ATOM 0 H GLY A 6 -7.904 4.737 -4.991 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.532 3.751 -7.649 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.828 5.183 -6.923 1.00 0.39 H new ATOM 92 N LYS A 7 -4.881 3.450 -7.782 1.00 0.41 N ATOM 93 CA LYS A 7 -3.566 2.812 -7.818 1.00 0.44 C ATOM 94 C LYS A 7 -2.589 3.552 -6.904 1.00 0.37 C ATOM 95 O LYS A 7 -2.487 4.777 -6.969 1.00 0.42 O ATOM 96 CB LYS A 7 -3.024 2.793 -9.251 1.00 0.54 C ATOM 97 CG LYS A 7 -2.111 1.611 -9.539 1.00 0.64 C ATOM 98 CD LYS A 7 -0.675 2.057 -9.771 1.00 1.01 C ATOM 99 CE LYS A 7 0.029 1.168 -10.782 1.00 0.95 C ATOM 100 NZ LYS A 7 0.636 1.957 -11.890 1.00 1.52 N ATOM 0 H LYS A 7 -5.148 3.915 -8.650 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.671 1.786 -7.465 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.862 2.773 -9.948 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.478 3.718 -9.437 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -2.145 0.912 -8.703 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -2.473 1.076 -10.417 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.666 3.088 -10.124 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.130 2.038 -8.827 1.00 1.01 H new ATOM 0 HE2 LYS A 7 0.806 0.592 -10.279 1.00 0.95 H new ATOM 0 HE3 LYS A 7 -0.683 0.453 -11.194 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 1.106 1.313 -12.558 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 -0.108 2.488 -12.386 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.334 2.622 -11.501 1.00 1.52 H new ATOM 114 N PRO A 8 -1.859 2.833 -6.026 1.00 0.34 N ATOM 115 CA PRO A 8 -0.905 3.458 -5.096 1.00 0.32 C ATOM 116 C PRO A 8 0.362 3.962 -5.785 1.00 0.33 C ATOM 117 O PRO A 8 0.920 3.293 -6.655 1.00 0.44 O ATOM 118 CB PRO A 8 -0.564 2.322 -4.115 1.00 0.39 C ATOM 119 CG PRO A 8 -1.606 1.284 -4.364 1.00 0.44 C ATOM 120 CD PRO A 8 -1.890 1.373 -5.832 1.00 0.41 C ATOM 0 HA PRO A 8 -1.332 4.342 -4.623 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.437 1.930 -4.295 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.589 2.669 -3.082 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.249 0.291 -4.089 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.503 1.475 -3.775 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.138 0.860 -6.431 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.856 0.941 -6.094 1.00 0.41 H new ATOM 128 N VAL A 9 0.811 5.148 -5.378 1.00 0.34 N ATOM 129 CA VAL A 9 2.016 5.754 -5.937 1.00 0.38 C ATOM 130 C VAL A 9 2.826 6.451 -4.839 1.00 0.34 C ATOM 131 O VAL A 9 2.349 7.400 -4.220 1.00 0.35 O ATOM 132 CB VAL A 9 1.675 6.771 -7.045 1.00 0.43 C ATOM 133 CG1 VAL A 9 0.956 7.982 -6.470 1.00 1.09 C ATOM 134 CG2 VAL A 9 2.936 7.190 -7.787 1.00 0.53 C ATOM 0 H VAL A 9 0.355 5.710 -4.659 1.00 0.34 H new ATOM 0 HA VAL A 9 2.610 4.952 -6.374 1.00 0.38 H new ATOM 0 HB VAL A 9 1.002 6.291 -7.755 1.00 0.43 H new ATOM 0 HG11 VAL A 9 0.727 8.684 -7.272 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.030 7.662 -5.992 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.595 8.469 -5.733 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.678 7.908 -8.566 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.634 7.649 -7.087 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.400 6.314 -8.240 1.00 0.53 H new ATOM 144 N PRO A 10 4.060 5.984 -4.572 1.00 0.34 N ATOM 145 CA PRO A 10 4.915 6.564 -3.531 1.00 0.32 C ATOM 146 C PRO A 10 5.221 8.044 -3.734 1.00 0.37 C ATOM 147 O PRO A 10 5.504 8.490 -4.846 1.00 0.64 O ATOM 148 CB PRO A 10 6.209 5.754 -3.619 1.00 0.38 C ATOM 149 CG PRO A 10 5.843 4.496 -4.322 1.00 0.39 C ATOM 150 CD PRO A 10 4.711 4.848 -5.246 1.00 0.42 C ATOM 0 HA PRO A 10 4.416 6.515 -2.563 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.977 6.300 -4.166 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.611 5.547 -2.627 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.692 4.100 -4.879 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.541 3.726 -3.612 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.072 5.122 -6.237 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.024 4.012 -5.377 1.00 0.42 H new ATOM 158 N LEU A 11 5.181 8.794 -2.635 1.00 0.34 N ATOM 159 CA LEU A 11 5.478 10.222 -2.657 1.00 0.43 C ATOM 160 C LEU A 11 6.870 10.450 -2.079 1.00 0.43 C ATOM 161 O LEU A 11 7.597 11.352 -2.493 1.00 0.57 O ATOM 162 CB LEU A 11 4.444 11.009 -1.844 1.00 0.56 C ATOM 163 CG LEU A 11 2.982 10.757 -2.218 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.797 10.816 -3.727 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.518 9.417 -1.669 1.00 1.12 C ATOM 0 H LEU A 11 4.944 8.432 -1.712 1.00 0.34 H new ATOM 0 HA LEU A 11 5.439 10.574 -3.688 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.578 10.769 -0.789 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.652 12.073 -1.957 1.00 0.56 H new ATOM 0 HG LEU A 11 2.370 11.541 -1.771 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.751 10.634 -3.973 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.089 11.801 -4.091 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.418 10.055 -4.200 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.476 9.252 -1.943 1.00 1.12 H new ATOM 0 HD22 LEU A 11 3.133 8.620 -2.086 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.611 9.417 -0.583 1.00 1.12 H new ATOM 177 N ASN A 12 7.225 9.605 -1.116 1.00 0.34 N ATOM 178 CA ASN A 12 8.523 9.666 -0.454 1.00 0.36 C ATOM 179 C ASN A 12 8.998 8.254 -0.135 1.00 0.37 C ATOM 180 O ASN A 12 8.186 7.347 0.023 1.00 0.58 O ATOM 181 CB ASN A 12 8.429 10.491 0.832 1.00 0.42 C ATOM 182 CG ASN A 12 9.787 10.755 1.452 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.290 9.786 2.207 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.375 11.818 1.257 1.00 0.71 N flip ATOM 0 H ASN A 12 6.620 8.859 -0.773 1.00 0.34 H new ATOM 0 HA ASN A 12 9.239 10.147 -1.121 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.941 11.441 0.616 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.800 9.966 1.551 1.00 0.42 H new ATOM 0 HD21 ASN A 12 9.950 12.535 0.669 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.287 11.982 1.683 1.00 0.71 H new ATOM 191 N ILE A 13 10.308 8.059 -0.050 1.00 0.38 N ATOM 192 CA ILE A 13 10.845 6.740 0.241 1.00 0.43 C ATOM 193 C ILE A 13 12.152 6.817 1.022 1.00 0.53 C ATOM 194 O ILE A 13 13.190 7.206 0.488 1.00 0.75 O ATOM 195 CB ILE A 13 11.059 5.940 -1.052 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.737 6.822 -2.112 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.720 5.404 -1.547 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.585 6.315 -3.530 1.00 0.96 C ATOM 0 H ILE A 13 11.009 8.789 -0.177 1.00 0.38 H new ATOM 0 HA ILE A 13 10.110 6.228 0.862 1.00 0.43 H new ATOM 0 HB ILE A 13 11.716 5.093 -0.856 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.322 7.828 -2.051 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.799 6.901 -1.878 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.872 4.836 -2.465 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.284 4.755 -0.787 1.00 0.53 H new ATOM 0 HG23 ILE A 13 9.045 6.237 -1.743 1.00 0.53 H new ATOM 0 HD11 ILE A 13 12.092 6.994 -4.216 1.00 0.96 H new ATOM 0 HD12 ILE A 13 12.027 5.322 -3.611 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.527 6.263 -3.786 1.00 0.96 H new ATOM 210 N THR A 14 12.085 6.441 2.297 1.00 0.59 N ATOM 211 CA THR A 14 13.251 6.461 3.172 1.00 0.71 C ATOM 212 C THR A 14 13.774 5.057 3.423 1.00 0.79 C ATOM 213 O THR A 14 13.956 4.661 4.570 1.00 1.46 O ATOM 214 CB THR A 14 12.904 7.133 4.500 1.00 0.75 C ATOM 215 OG1 THR A 14 11.687 7.851 4.397 1.00 0.69 O ATOM 216 CG2 THR A 14 13.969 8.097 4.976 1.00 0.94 C ATOM 0 H THR A 14 11.229 6.117 2.748 1.00 0.59 H new ATOM 0 HA THR A 14 14.034 7.033 2.674 1.00 0.71 H new ATOM 0 HB THR A 14 12.821 6.321 5.223 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.482 8.272 5.258 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.662 8.540 5.923 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.909 7.562 5.114 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.105 8.884 4.234 1.00 0.94 H new ATOM 224 N ARG A 15 14.024 4.328 2.334 1.00 0.66 N ATOM 225 CA ARG A 15 14.548 2.959 2.389 1.00 0.67 C ATOM 226 C ARG A 15 13.723 2.052 3.301 1.00 0.71 C ATOM 227 O ARG A 15 12.990 1.183 2.831 1.00 1.19 O ATOM 228 CB ARG A 15 16.025 2.925 2.836 1.00 0.80 C ATOM 229 CG ARG A 15 16.670 4.282 3.106 1.00 0.96 C ATOM 230 CD ARG A 15 16.805 4.560 4.595 1.00 1.13 C ATOM 231 NE ARG A 15 18.096 5.160 4.925 1.00 1.43 N ATOM 232 CZ ARG A 15 18.312 5.900 6.011 1.00 1.67 C ATOM 233 NH1 ARG A 15 17.325 6.127 6.868 1.00 1.90 N ATOM 234 NH2 ARG A 15 19.513 6.413 6.242 1.00 2.42 N ATOM 0 H ARG A 15 13.869 4.670 1.386 1.00 0.66 H new ATOM 0 HA ARG A 15 14.476 2.578 1.370 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.097 2.323 3.742 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.606 2.415 2.068 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.655 4.315 2.640 1.00 0.96 H new ATOM 0 HG3 ARG A 15 16.072 5.067 2.643 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.003 5.226 4.913 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.685 3.629 5.150 1.00 1.13 H new ATOM 0 HE ARG A 15 18.876 5.003 4.287 1.00 1.43 H new ATOM 0 HH11 ARG A 15 16.399 5.735 6.696 1.00 1.90 H new ATOM 0 HH12 ARG A 15 17.492 6.694 7.699 1.00 1.90 H new ATOM 0 HH21 ARG A 15 20.276 6.241 5.587 1.00 2.42 H new ATOM 0 HH22 ARG A 15 19.674 6.979 7.075 1.00 2.42 H new ATOM 248 N HIS A 16 13.857 2.252 4.603 1.00 0.50 N ATOM 249 CA HIS A 16 13.138 1.447 5.585 1.00 0.54 C ATOM 250 C HIS A 16 11.647 1.763 5.586 1.00 0.57 C ATOM 251 O HIS A 16 10.824 0.902 5.898 1.00 0.97 O ATOM 252 CB HIS A 16 13.718 1.676 6.981 1.00 0.67 C ATOM 253 CG HIS A 16 14.917 0.832 7.278 1.00 0.68 C ATOM 254 ND1 HIS A 16 14.947 -0.142 8.251 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.147 0.827 6.705 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.168 -0.694 8.241 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.934 -0.143 7.320 1.00 0.86 N ATOM 0 H HIS A 16 14.460 2.968 5.008 1.00 0.50 H new ATOM 0 HA HIS A 16 13.260 0.400 5.308 1.00 0.54 H new ATOM 0 HB2 HIS A 16 13.989 2.727 7.085 1.00 0.67 H new ATOM 0 HB3 HIS A 16 12.947 1.471 7.724 1.00 0.67 H new ATOM 0 HD2 HIS A 16 16.465 1.473 5.900 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.484 -1.488 8.902 1.00 1.02 H new ATOM 0 HE2 HIS A 16 17.902 -0.379 7.103 1.00 0.86 H new ATOM 265 N THR A 17 11.301 2.998 5.242 1.00 0.43 N ATOM 266 CA THR A 17 9.901 3.410 5.213 1.00 0.42 C ATOM 267 C THR A 17 9.544 4.066 3.886 1.00 0.38 C ATOM 268 O THR A 17 10.196 5.014 3.459 1.00 0.56 O ATOM 269 CB THR A 17 9.615 4.376 6.363 1.00 0.56 C ATOM 270 OG1 THR A 17 10.380 5.559 6.225 1.00 0.65 O ATOM 271 CG2 THR A 17 9.917 3.787 7.723 1.00 0.68 C ATOM 0 H THR A 17 11.964 3.727 4.981 1.00 0.43 H new ATOM 0 HA THR A 17 9.286 2.517 5.327 1.00 0.42 H new ATOM 0 HB THR A 17 8.548 4.590 6.306 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.548 5.731 5.275 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.693 4.522 8.496 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.305 2.899 7.879 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.971 3.515 7.776 1.00 0.68 H new ATOM 279 N VAL A 18 8.501 3.557 3.239 1.00 0.27 N ATOM 280 CA VAL A 18 8.058 4.099 1.962 1.00 0.33 C ATOM 281 C VAL A 18 6.684 4.755 2.098 1.00 0.32 C ATOM 282 O VAL A 18 5.751 4.156 2.626 1.00 0.51 O ATOM 283 CB VAL A 18 8.010 3.003 0.879 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.493 3.567 -0.436 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.388 2.380 0.696 1.00 0.46 C ATOM 0 H VAL A 18 7.948 2.770 3.579 1.00 0.27 H new ATOM 0 HA VAL A 18 8.782 4.855 1.658 1.00 0.33 H new ATOM 0 HB VAL A 18 7.320 2.225 1.205 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.467 2.776 -1.186 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.488 3.963 -0.292 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.153 4.366 -0.774 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.339 1.608 -0.072 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.098 3.149 0.392 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.715 1.936 1.637 1.00 0.46 H new ATOM 295 N THR A 19 6.576 5.994 1.628 1.00 0.27 N ATOM 296 CA THR A 19 5.324 6.744 1.705 1.00 0.24 C ATOM 297 C THR A 19 4.602 6.766 0.359 1.00 0.22 C ATOM 298 O THR A 19 5.165 7.200 -0.646 1.00 0.34 O ATOM 299 CB THR A 19 5.615 8.178 2.169 1.00 0.28 C ATOM 300 OG1 THR A 19 5.952 8.198 3.544 1.00 0.35 O ATOM 301 CG2 THR A 19 4.460 9.138 1.966 1.00 0.32 C ATOM 0 H THR A 19 7.343 6.503 1.188 1.00 0.27 H new ATOM 0 HA THR A 19 4.671 6.249 2.424 1.00 0.24 H new ATOM 0 HB THR A 19 6.445 8.511 1.547 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.135 9.120 3.823 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.745 10.129 2.319 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.210 9.188 0.906 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.593 8.788 2.527 1.00 0.32 H new ATOM 309 N LEU A 20 3.346 6.311 0.349 1.00 0.28 N ATOM 310 CA LEU A 20 2.554 6.296 -0.874 1.00 0.26 C ATOM 311 C LEU A 20 1.129 6.768 -0.624 1.00 0.28 C ATOM 312 O LEU A 20 0.650 6.802 0.514 1.00 0.40 O ATOM 313 CB LEU A 20 2.540 4.908 -1.530 1.00 0.33 C ATOM 314 CG LEU A 20 2.806 3.714 -0.609 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.231 3.750 -0.091 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.811 3.675 0.539 1.00 0.52 C ATOM 0 H LEU A 20 2.862 5.951 1.171 1.00 0.28 H new ATOM 0 HA LEU A 20 3.034 6.992 -1.562 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.569 4.764 -2.003 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.286 4.899 -2.325 1.00 0.33 H new ATOM 0 HG LEU A 20 2.676 2.801 -1.190 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.403 2.894 0.562 1.00 0.50 H new ATOM 0 HD12 LEU A 20 4.925 3.710 -0.931 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.391 4.671 0.469 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.024 2.817 1.176 1.00 0.52 H new ATOM 0 HD22 LEU A 20 1.894 4.591 1.124 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.800 3.589 0.141 1.00 0.52 H new ATOM 328 N LYS A 21 0.462 7.137 -1.711 1.00 0.25 N ATOM 329 CA LYS A 21 -0.912 7.623 -1.653 1.00 0.31 C ATOM 330 C LYS A 21 -1.639 7.331 -2.963 1.00 0.31 C ATOM 331 O LYS A 21 -1.021 7.255 -4.024 1.00 0.51 O ATOM 332 CB LYS A 21 -0.918 9.127 -1.371 1.00 0.40 C ATOM 333 CG LYS A 21 -2.289 9.688 -1.037 1.00 0.81 C ATOM 334 CD LYS A 21 -3.029 10.130 -2.289 1.00 0.95 C ATOM 335 CE LYS A 21 -2.446 11.414 -2.858 1.00 1.26 C ATOM 336 NZ LYS A 21 -1.974 11.233 -4.258 1.00 1.84 N ATOM 0 H LYS A 21 0.855 7.108 -2.652 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.433 7.106 -0.848 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.241 9.333 -0.542 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.525 9.651 -2.242 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -2.875 8.932 -0.514 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.182 10.534 -0.358 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.978 9.342 -3.040 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -4.083 10.280 -2.056 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -3.200 12.201 -2.827 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -1.615 11.744 -2.234 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -1.583 12.130 -4.611 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -1.237 10.500 -4.284 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -2.772 10.943 -4.859 1.00 1.84 H new ATOM 350 N TRP A 22 -2.958 7.166 -2.883 1.00 0.25 N ATOM 351 CA TRP A 22 -3.767 6.881 -4.064 1.00 0.24 C ATOM 352 C TRP A 22 -5.057 7.698 -4.068 1.00 0.24 C ATOM 353 O TRP A 22 -5.264 8.561 -3.215 1.00 0.40 O ATOM 354 CB TRP A 22 -4.105 5.401 -4.099 1.00 0.27 C ATOM 355 CG TRP A 22 -4.724 4.924 -2.828 1.00 0.26 C ATOM 356 CD1 TRP A 22 -6.031 4.607 -2.618 1.00 0.32 C ATOM 357 CD2 TRP A 22 -4.053 4.721 -1.587 1.00 0.25 C ATOM 358 NE1 TRP A 22 -6.216 4.213 -1.316 1.00 0.33 N ATOM 359 CE2 TRP A 22 -5.013 4.275 -0.661 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.733 4.874 -1.172 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.687 3.978 0.660 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.409 4.579 0.137 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.381 4.135 1.041 1.00 0.32 C ATOM 0 H TRP A 22 -3.488 7.225 -2.013 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.189 7.156 -4.946 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.788 5.207 -4.926 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.198 4.829 -4.294 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.808 4.658 -3.366 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -7.102 3.922 -0.904 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.976 5.217 -1.862 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.437 3.636 1.358 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.388 4.693 0.469 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -3.096 3.912 2.058 1.00 0.32 H new ATOM 374 N ALA A 23 -5.923 7.410 -5.037 1.00 0.31 N ATOM 375 CA ALA A 23 -7.197 8.107 -5.165 1.00 0.33 C ATOM 376 C ALA A 23 -8.291 7.400 -4.373 1.00 0.36 C ATOM 377 O ALA A 23 -8.080 6.319 -3.833 1.00 0.83 O ATOM 378 CB ALA A 23 -7.593 8.208 -6.630 1.00 0.36 C ATOM 0 H ALA A 23 -5.763 6.695 -5.747 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.078 9.111 -4.757 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.546 8.730 -6.714 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.828 8.759 -7.177 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.689 7.207 -7.051 1.00 0.36 H new ATOM 384 N LYS A 24 -9.464 8.016 -4.306 1.00 0.59 N ATOM 385 CA LYS A 24 -10.581 7.431 -3.579 1.00 0.61 C ATOM 386 C LYS A 24 -11.559 6.755 -4.545 1.00 0.59 C ATOM 387 O LYS A 24 -11.698 7.177 -5.692 1.00 0.69 O ATOM 388 CB LYS A 24 -11.285 8.502 -2.731 1.00 0.74 C ATOM 389 CG LYS A 24 -12.350 9.297 -3.473 1.00 1.21 C ATOM 390 CD LYS A 24 -13.733 8.724 -3.221 1.00 1.22 C ATOM 391 CE LYS A 24 -14.812 9.553 -3.895 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.200 10.728 -3.068 1.00 2.11 N ATOM 0 H LYS A 24 -9.665 8.915 -4.744 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.198 6.665 -2.905 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -11.745 8.020 -1.869 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.535 9.194 -2.347 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -12.320 10.338 -3.153 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.138 9.286 -4.542 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.776 7.700 -3.591 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.921 8.684 -2.148 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.455 9.894 -4.867 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -15.688 8.931 -4.077 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -15.939 11.270 -3.560 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.564 10.402 -2.150 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -14.369 11.335 -2.915 1.00 2.11 H new ATOM 406 N PRO A 25 -12.244 5.691 -4.087 1.00 0.56 N ATOM 407 CA PRO A 25 -13.206 4.947 -4.909 1.00 0.63 C ATOM 408 C PRO A 25 -14.268 5.842 -5.543 1.00 0.75 C ATOM 409 O PRO A 25 -14.103 7.057 -5.636 1.00 0.89 O ATOM 410 CB PRO A 25 -13.855 3.962 -3.924 1.00 0.63 C ATOM 411 CG PRO A 25 -13.439 4.414 -2.563 1.00 0.71 C ATOM 412 CD PRO A 25 -12.127 5.122 -2.738 1.00 0.58 C ATOM 0 HA PRO A 25 -12.711 4.463 -5.751 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.940 3.968 -4.023 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.523 2.942 -4.116 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -14.185 5.080 -2.129 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -13.336 3.566 -1.886 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.980 5.895 -1.984 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.283 4.436 -2.660 1.00 0.58 H new ATOM 420 N GLU A 26 -15.362 5.229 -5.986 1.00 0.85 N ATOM 421 CA GLU A 26 -16.447 5.970 -6.618 1.00 1.05 C ATOM 422 C GLU A 26 -17.798 5.342 -6.302 1.00 0.95 C ATOM 423 O GLU A 26 -18.737 6.037 -5.914 1.00 1.12 O ATOM 424 CB GLU A 26 -16.237 6.029 -8.132 1.00 1.29 C ATOM 425 CG GLU A 26 -14.863 6.538 -8.539 1.00 1.83 C ATOM 426 CD GLU A 26 -14.575 6.324 -10.013 1.00 2.18 C ATOM 427 OE1 GLU A 26 -15.222 6.989 -10.848 1.00 2.53 O ATOM 428 OE2 GLU A 26 -13.701 5.489 -10.331 1.00 2.77 O ATOM 0 H GLU A 26 -15.520 4.224 -5.919 1.00 0.85 H new ATOM 0 HA GLU A 26 -16.441 6.984 -6.217 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.384 5.033 -8.549 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.998 6.674 -8.571 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -14.791 7.601 -8.309 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -14.102 6.031 -7.946 1.00 1.83 H new ATOM 435 N TYR A 27 -17.895 4.028 -6.473 1.00 0.85 N ATOM 436 CA TYR A 27 -19.141 3.325 -6.204 1.00 0.84 C ATOM 437 C TYR A 27 -19.158 2.744 -4.791 1.00 0.86 C ATOM 438 O TYR A 27 -19.879 3.239 -3.927 1.00 1.37 O ATOM 439 CB TYR A 27 -19.367 2.215 -7.238 1.00 0.86 C ATOM 440 CG TYR A 27 -20.825 1.873 -7.461 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.482 0.977 -6.625 1.00 0.93 C ATOM 442 CD2 TYR A 27 -21.547 2.442 -8.507 1.00 1.15 C ATOM 443 CE1 TYR A 27 -22.813 0.659 -6.823 1.00 1.04 C ATOM 444 CE2 TYR A 27 -22.878 2.130 -8.708 1.00 1.28 C ATOM 445 CZ TYR A 27 -23.506 1.248 -7.879 1.00 1.19 C ATOM 446 OH TYR A 27 -24.832 0.925 -8.064 1.00 1.35 O ATOM 0 H TYR A 27 -17.131 3.433 -6.794 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.953 4.048 -6.281 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.926 2.520 -8.187 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.839 1.318 -6.915 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.943 0.522 -5.807 1.00 0.93 H new ATOM 0 HD2 TYR A 27 -21.059 3.139 -9.172 1.00 1.15 H new ATOM 0 HE1 TYR A 27 -23.311 -0.039 -6.166 1.00 1.04 H new ATOM 0 HE2 TYR A 27 -23.422 2.585 -9.523 1.00 1.28 H new ATOM 0 HH TYR A 27 -25.183 1.414 -8.838 1.00 1.35 H new ATOM 456 N THR A 28 -18.371 1.690 -4.569 1.00 0.65 N ATOM 457 CA THR A 28 -18.281 1.014 -3.264 1.00 0.61 C ATOM 458 C THR A 28 -19.559 0.249 -2.894 1.00 0.66 C ATOM 459 O THR A 28 -19.479 -0.890 -2.433 1.00 0.81 O ATOM 460 CB THR A 28 -17.896 1.990 -2.145 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.991 2.802 -1.763 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.741 2.898 -2.510 1.00 0.79 C ATOM 0 H THR A 28 -17.775 1.277 -5.287 1.00 0.65 H new ATOM 0 HA THR A 28 -17.486 0.276 -3.368 1.00 0.61 H new ATOM 0 HB THR A 28 -17.586 1.354 -1.315 1.00 0.64 H new ATOM 0 HG1 THR A 28 -19.318 3.298 -2.542 1.00 0.91 H new ATOM 0 HG21 THR A 28 -16.522 3.562 -1.674 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.861 2.295 -2.735 1.00 0.79 H new ATOM 0 HG23 THR A 28 -17.007 3.492 -3.384 1.00 0.79 H new ATOM 470 N GLY A 29 -20.733 0.857 -3.083 1.00 0.75 N ATOM 471 CA GLY A 29 -21.971 0.178 -2.747 1.00 0.80 C ATOM 472 C GLY A 29 -22.745 0.897 -1.654 1.00 0.85 C ATOM 473 O GLY A 29 -23.956 0.721 -1.514 1.00 1.01 O ATOM 0 H GLY A 29 -20.845 1.798 -3.459 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.593 0.100 -3.638 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.749 -0.839 -2.423 1.00 0.80 H new ATOM 477 N GLY A 30 -22.028 1.698 -0.879 1.00 0.83 N ATOM 478 CA GLY A 30 -22.614 2.443 0.219 1.00 0.89 C ATOM 479 C GLY A 30 -21.561 2.698 1.275 1.00 0.85 C ATOM 480 O GLY A 30 -21.622 3.671 2.027 1.00 0.98 O ATOM 0 H GLY A 30 -21.026 1.848 -0.996 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.017 3.389 -0.143 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.446 1.885 0.648 1.00 0.89 H new ATOM 484 N PHE A 31 -20.581 1.801 1.297 1.00 0.73 N ATOM 485 CA PHE A 31 -19.461 1.862 2.214 1.00 0.69 C ATOM 486 C PHE A 31 -18.668 3.148 1.999 1.00 0.67 C ATOM 487 O PHE A 31 -19.051 3.999 1.195 1.00 0.74 O ATOM 488 CB PHE A 31 -18.560 0.648 1.968 1.00 0.63 C ATOM 489 CG PHE A 31 -19.311 -0.632 1.676 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.147 -1.196 2.633 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.176 -1.273 0.454 1.00 0.64 C ATOM 492 CE1 PHE A 31 -20.830 -2.369 2.372 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.859 -2.446 0.189 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.702 -2.981 1.130 1.00 0.83 C ATOM 0 H PHE A 31 -20.547 1.000 0.666 1.00 0.73 H new ATOM 0 HA PHE A 31 -19.829 1.853 3.240 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.896 0.866 1.131 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -17.929 0.494 2.844 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -20.264 -0.712 3.591 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.529 -0.851 -0.301 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -21.461 -2.809 3.130 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.728 -2.942 -0.761 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.265 -3.875 0.907 1.00 0.83 H new ATOM 504 N LYS A 32 -17.558 3.277 2.715 1.00 0.68 N ATOM 505 CA LYS A 32 -16.704 4.455 2.597 1.00 0.72 C ATOM 506 C LYS A 32 -15.277 4.147 3.047 1.00 0.66 C ATOM 507 O LYS A 32 -14.537 5.044 3.445 1.00 0.74 O ATOM 508 CB LYS A 32 -17.273 5.615 3.416 1.00 0.86 C ATOM 509 CG LYS A 32 -17.362 5.332 4.908 1.00 1.38 C ATOM 510 CD LYS A 32 -17.014 6.565 5.726 1.00 1.38 C ATOM 511 CE LYS A 32 -15.940 6.266 6.757 1.00 1.50 C ATOM 512 NZ LYS A 32 -16.497 6.196 8.135 1.00 2.26 N ATOM 0 H LYS A 32 -17.227 2.581 3.384 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.678 4.744 1.546 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -16.651 6.496 3.260 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.268 5.857 3.042 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.370 5.000 5.158 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.685 4.518 5.167 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.671 7.358 5.062 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -17.908 6.934 6.228 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.456 5.320 6.513 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.172 7.038 6.715 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -15.732 5.990 8.809 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -16.937 7.106 8.378 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -17.212 5.442 8.183 1.00 2.26 H new ATOM 526 N ILE A 33 -14.902 2.871 2.978 1.00 0.67 N ATOM 527 CA ILE A 33 -13.565 2.429 3.372 1.00 0.66 C ATOM 528 C ILE A 33 -13.099 3.087 4.664 1.00 0.80 C ATOM 529 O ILE A 33 -12.620 4.221 4.664 1.00 1.71 O ATOM 530 CB ILE A 33 -12.527 2.704 2.268 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.075 2.278 0.904 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.227 1.977 2.577 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.041 2.306 -0.202 1.00 0.91 C ATOM 0 H ILE A 33 -15.510 2.120 2.651 1.00 0.67 H new ATOM 0 HA ILE A 33 -13.642 1.354 3.534 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.324 3.774 2.235 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -13.481 1.270 0.984 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -13.902 2.934 0.633 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.501 2.179 1.789 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -10.833 2.326 3.532 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.414 0.905 2.632 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -12.502 1.992 -1.139 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -11.652 3.318 -0.310 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -11.225 1.628 0.046 1.00 0.91 H new ATOM 545 N THR A 34 -13.237 2.360 5.766 1.00 0.72 N ATOM 546 CA THR A 34 -12.828 2.863 7.069 1.00 0.73 C ATOM 547 C THR A 34 -11.410 2.413 7.417 1.00 0.59 C ATOM 548 O THR A 34 -10.990 2.513 8.569 1.00 0.76 O ATOM 549 CB THR A 34 -13.799 2.381 8.146 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.467 1.071 8.570 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.239 2.362 7.686 1.00 1.15 C ATOM 0 H THR A 34 -13.630 1.419 5.782 1.00 0.72 H new ATOM 0 HA THR A 34 -12.841 3.952 7.027 1.00 0.73 H new ATOM 0 HB THR A 34 -13.704 3.097 8.963 1.00 0.99 H new ATOM 0 HG1 THR A 34 -14.099 0.781 9.261 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.876 2.010 8.498 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.542 3.368 7.397 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.339 1.694 6.831 1.00 1.15 H new ATOM 559 N SER A 35 -10.674 1.914 6.423 1.00 0.49 N ATOM 560 CA SER A 35 -9.307 1.454 6.649 1.00 0.47 C ATOM 561 C SER A 35 -8.701 0.853 5.384 1.00 0.45 C ATOM 562 O SER A 35 -9.241 -0.095 4.816 1.00 0.72 O ATOM 563 CB SER A 35 -9.275 0.414 7.767 1.00 0.64 C ATOM 564 OG SER A 35 -7.979 -0.136 7.916 1.00 1.58 O ATOM 0 H SER A 35 -11.000 1.819 5.461 1.00 0.49 H new ATOM 0 HA SER A 35 -8.715 2.322 6.937 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.588 0.874 8.704 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.988 -0.381 7.548 1.00 0.64 H new ATOM 0 HG SER A 35 -7.986 -0.798 8.639 1.00 1.58 H new ATOM 570 N TYR A 36 -7.571 1.406 4.955 1.00 0.27 N ATOM 571 CA TYR A 36 -6.882 0.923 3.767 1.00 0.28 C ATOM 572 C TYR A 36 -5.618 0.164 4.162 1.00 0.33 C ATOM 573 O TYR A 36 -4.705 0.733 4.756 1.00 0.68 O ATOM 574 CB TYR A 36 -6.520 2.092 2.854 1.00 0.29 C ATOM 575 CG TYR A 36 -7.692 2.964 2.469 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.419 3.650 3.433 1.00 0.57 C ATOM 577 CD2 TYR A 36 -8.070 3.103 1.142 1.00 0.53 C ATOM 578 CE1 TYR A 36 -9.488 4.450 3.084 1.00 0.67 C ATOM 579 CE2 TYR A 36 -9.137 3.901 0.783 1.00 0.64 C ATOM 580 CZ TYR A 36 -9.844 4.573 1.758 1.00 0.60 C ATOM 581 OH TYR A 36 -10.908 5.369 1.405 1.00 0.76 O ATOM 0 H TYR A 36 -7.113 2.192 5.416 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.548 0.248 3.230 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.771 2.708 3.351 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -6.059 1.701 1.947 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.143 3.556 4.473 1.00 0.57 H new ATOM 0 HD2 TYR A 36 -7.519 2.577 0.376 1.00 0.53 H new ATOM 0 HE1 TYR A 36 -10.043 4.977 3.846 1.00 0.67 H new ATOM 0 HE2 TYR A 36 -9.417 3.999 -0.256 1.00 0.64 H new ATOM 0 HH TYR A 36 -11.025 5.347 0.432 1.00 0.76 H new ATOM 591 N ILE A 37 -5.569 -1.120 3.836 1.00 0.24 N ATOM 592 CA ILE A 37 -4.412 -1.943 4.172 1.00 0.26 C ATOM 593 C ILE A 37 -3.461 -2.057 2.986 1.00 0.33 C ATOM 594 O ILE A 37 -3.896 -2.276 1.861 1.00 0.70 O ATOM 595 CB ILE A 37 -4.817 -3.369 4.617 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.199 -3.393 5.293 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.765 -3.932 5.560 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.969 -4.667 5.031 1.00 1.14 C ATOM 0 H ILE A 37 -6.312 -1.614 3.342 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.915 -1.444 5.004 1.00 0.26 H new ATOM 0 HB ILE A 37 -4.881 -3.989 3.723 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.072 -3.268 6.368 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.784 -2.544 4.940 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.055 -4.936 5.870 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.803 -3.974 5.049 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.682 -3.291 6.437 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.934 -4.619 5.536 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.126 -4.783 3.959 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.403 -5.518 5.409 1.00 1.14 H new ATOM 610 N VAL A 38 -2.160 -1.910 3.239 1.00 0.36 N ATOM 611 CA VAL A 38 -1.162 -2.004 2.175 1.00 0.42 C ATOM 612 C VAL A 38 -0.278 -3.232 2.354 1.00 0.35 C ATOM 613 O VAL A 38 0.499 -3.315 3.305 1.00 0.48 O ATOM 614 CB VAL A 38 -0.248 -0.761 2.114 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.518 -0.731 0.794 1.00 0.51 C ATOM 616 CG2 VAL A 38 -1.046 0.521 2.305 1.00 0.46 C ATOM 0 H VAL A 38 -1.775 -1.727 4.166 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.727 -2.077 1.245 1.00 0.42 H new ATOM 0 HB VAL A 38 0.470 -0.827 2.932 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.158 0.151 0.765 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.131 -1.628 0.709 1.00 0.51 H new ATOM 0 HG13 VAL A 38 -0.188 -0.694 -0.036 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.374 1.378 2.257 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.796 0.603 1.519 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.540 0.501 3.277 1.00 0.46 H new ATOM 626 N GLU A 39 -0.392 -4.178 1.431 1.00 0.30 N ATOM 627 CA GLU A 39 0.407 -5.393 1.486 1.00 0.33 C ATOM 628 C GLU A 39 1.741 -5.177 0.780 1.00 0.32 C ATOM 629 O GLU A 39 1.783 -4.726 -0.364 1.00 0.43 O ATOM 630 CB GLU A 39 -0.366 -6.550 0.856 1.00 0.42 C ATOM 631 CG GLU A 39 -1.725 -6.767 1.498 1.00 0.51 C ATOM 632 CD GLU A 39 -2.088 -8.233 1.626 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.627 -8.877 2.591 1.00 1.52 O ATOM 634 OE2 GLU A 39 -2.833 -8.738 0.761 1.00 1.67 O ATOM 0 H GLU A 39 -1.030 -4.127 0.636 1.00 0.30 H new ATOM 0 HA GLU A 39 0.612 -5.643 2.527 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.499 -6.356 -0.208 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.222 -7.464 0.942 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.732 -6.308 2.487 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.486 -6.259 0.906 1.00 0.51 H new ATOM 641 N LYS A 40 2.831 -5.488 1.475 1.00 0.28 N ATOM 642 CA LYS A 40 4.168 -5.311 0.917 1.00 0.31 C ATOM 643 C LYS A 40 4.803 -6.641 0.545 1.00 0.29 C ATOM 644 O LYS A 40 4.573 -7.658 1.197 1.00 0.35 O ATOM 645 CB LYS A 40 5.068 -4.579 1.915 1.00 0.43 C ATOM 646 CG LYS A 40 5.132 -5.248 3.279 1.00 0.92 C ATOM 647 CD LYS A 40 6.504 -5.080 3.914 1.00 1.14 C ATOM 648 CE LYS A 40 6.704 -6.044 5.073 1.00 1.65 C ATOM 649 NZ LYS A 40 6.144 -5.508 6.344 1.00 1.97 N ATOM 0 H LYS A 40 2.815 -5.863 2.423 1.00 0.28 H new ATOM 0 HA LYS A 40 4.065 -4.716 0.010 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.075 -4.514 1.504 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.707 -3.558 2.037 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.372 -4.820 3.932 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.904 -6.309 3.177 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.276 -5.247 3.163 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.619 -4.055 4.268 1.00 1.14 H new ATOM 0 HE2 LYS A 40 6.228 -6.996 4.839 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.768 -6.243 5.200 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 6.743 -5.806 7.140 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 6.117 -4.469 6.301 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 5.180 -5.874 6.480 1.00 1.97 H new ATOM 663 N ARG A 41 5.615 -6.615 -0.505 1.00 0.36 N ATOM 664 CA ARG A 41 6.304 -7.806 -0.973 1.00 0.40 C ATOM 665 C ARG A 41 7.793 -7.529 -1.137 1.00 0.41 C ATOM 666 O ARG A 41 8.191 -6.686 -1.949 1.00 0.43 O ATOM 667 CB ARG A 41 5.715 -8.282 -2.301 1.00 0.46 C ATOM 668 CG ARG A 41 6.311 -9.591 -2.794 1.00 0.58 C ATOM 669 CD ARG A 41 5.251 -10.491 -3.407 1.00 0.88 C ATOM 670 NE ARG A 41 4.850 -10.039 -4.735 1.00 0.95 N ATOM 671 CZ ARG A 41 4.219 -10.809 -5.615 1.00 1.13 C ATOM 672 NH1 ARG A 41 3.921 -12.064 -5.305 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.886 -10.327 -6.804 1.00 1.44 N ATOM 0 H ARG A 41 5.812 -5.775 -1.050 1.00 0.36 H new ATOM 0 HA ARG A 41 6.170 -8.591 -0.229 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.637 -8.402 -2.189 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.874 -7.512 -3.056 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.085 -9.384 -3.533 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.793 -10.108 -1.964 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.634 -11.510 -3.471 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.378 -10.519 -2.755 1.00 0.88 H new ATOM 0 HE ARG A 41 5.066 -9.079 -5.003 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.176 -12.438 -4.391 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.437 -12.655 -5.981 1.00 1.44 H new ATOM 0 HH21 ARG A 41 4.114 -9.363 -7.045 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.402 -10.920 -7.477 1.00 1.44 H new ATOM 687 N ASP A 42 8.610 -8.239 -0.365 1.00 0.50 N ATOM 688 CA ASP A 42 10.056 -8.073 -0.427 1.00 0.57 C ATOM 689 C ASP A 42 10.607 -8.728 -1.689 1.00 0.62 C ATOM 690 O ASP A 42 10.387 -9.916 -1.928 1.00 0.91 O ATOM 691 CB ASP A 42 10.718 -8.677 0.814 1.00 0.71 C ATOM 692 CG ASP A 42 9.778 -9.580 1.589 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.737 -9.976 1.025 1.00 1.59 O ATOM 694 OD2 ASP A 42 10.084 -9.890 2.760 1.00 1.49 O ATOM 0 H ASP A 42 8.294 -8.935 0.311 1.00 0.50 H new ATOM 0 HA ASP A 42 10.282 -7.007 -0.456 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.598 -9.246 0.513 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.065 -7.874 1.465 1.00 0.71 H new ATOM 699 N LEU A 43 11.315 -7.950 -2.497 1.00 0.63 N ATOM 700 CA LEU A 43 11.884 -8.462 -3.738 1.00 0.68 C ATOM 701 C LEU A 43 13.412 -8.467 -3.693 1.00 0.81 C ATOM 702 O LEU A 43 14.022 -7.638 -3.015 1.00 0.90 O ATOM 703 CB LEU A 43 11.393 -7.625 -4.922 1.00 0.62 C ATOM 704 CG LEU A 43 9.973 -7.075 -4.772 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.674 -6.059 -5.862 1.00 0.80 C ATOM 706 CD2 LEU A 43 8.959 -8.208 -4.799 1.00 0.70 C ATOM 0 H LEU A 43 11.509 -6.965 -2.317 1.00 0.63 H new ATOM 0 HA LEU A 43 11.552 -9.493 -3.861 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.078 -6.790 -5.068 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.438 -8.235 -5.824 1.00 0.62 H new ATOM 0 HG LEU A 43 9.898 -6.571 -3.809 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.660 -5.680 -5.738 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.381 -5.233 -5.793 1.00 0.80 H new ATOM 0 HD13 LEU A 43 9.766 -6.535 -6.838 1.00 0.80 H new ATOM 0 HD21 LEU A 43 7.954 -7.800 -4.691 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.034 -8.741 -5.747 1.00 0.70 H new ATOM 0 HD23 LEU A 43 9.161 -8.897 -3.978 1.00 0.70 H new ATOM 718 N PRO A 44 14.059 -9.410 -4.413 1.00 0.92 N ATOM 719 CA PRO A 44 13.387 -10.416 -5.233 1.00 0.99 C ATOM 720 C PRO A 44 13.048 -11.680 -4.446 1.00 1.15 C ATOM 721 O PRO A 44 13.059 -12.782 -4.994 1.00 1.43 O ATOM 722 CB PRO A 44 14.423 -10.732 -6.324 1.00 1.15 C ATOM 723 CG PRO A 44 15.708 -10.079 -5.895 1.00 1.25 C ATOM 724 CD PRO A 44 15.507 -9.568 -4.492 1.00 1.08 C ATOM 0 HA PRO A 44 12.433 -10.055 -5.617 1.00 0.99 H new ATOM 0 HB2 PRO A 44 14.553 -11.808 -6.435 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.097 -10.349 -7.291 1.00 1.15 H new ATOM 0 HG2 PRO A 44 16.531 -10.793 -5.929 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.966 -9.261 -6.568 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.879 -10.272 -3.747 1.00 1.08 H new ATOM 0 HD3 PRO A 44 16.027 -8.624 -4.326 1.00 1.08 H new ATOM 732 N ASN A 45 12.746 -11.518 -3.161 1.00 1.14 N ATOM 733 CA ASN A 45 12.406 -12.654 -2.311 1.00 1.33 C ATOM 734 C ASN A 45 11.521 -12.216 -1.147 1.00 1.43 C ATOM 735 O ASN A 45 12.009 -11.703 -0.140 1.00 2.42 O ATOM 736 CB ASN A 45 13.675 -13.326 -1.775 1.00 1.66 C ATOM 737 CG ASN A 45 14.818 -13.300 -2.772 1.00 1.93 C ATOM 738 OD1 ASN A 45 14.928 -14.175 -3.630 1.00 2.66 O ATOM 739 ND2 ASN A 45 15.677 -12.292 -2.663 1.00 1.89 N ATOM 0 H ASN A 45 12.730 -10.615 -2.687 1.00 1.14 H new ATOM 0 HA ASN A 45 11.855 -13.372 -2.918 1.00 1.33 H new ATOM 0 HB2 ASN A 45 13.987 -12.825 -0.858 1.00 1.66 H new ATOM 0 HB3 ASN A 45 13.451 -14.360 -1.513 1.00 1.66 H new ATOM 0 HD21 ASN A 45 16.466 -12.222 -3.306 1.00 1.89 H new ATOM 0 HD22 ASN A 45 15.548 -11.588 -1.936 1.00 1.89 H new ATOM 746 N GLY A 46 10.217 -12.423 -1.295 1.00 0.90 N ATOM 747 CA GLY A 46 9.283 -12.044 -0.251 1.00 1.12 C ATOM 748 C GLY A 46 7.844 -12.306 -0.648 1.00 0.76 C ATOM 749 O GLY A 46 7.585 -12.970 -1.652 1.00 0.96 O ATOM 0 H GLY A 46 9.790 -12.846 -2.119 1.00 0.90 H new ATOM 0 HA2 GLY A 46 9.514 -12.598 0.659 1.00 1.12 H new ATOM 0 HA3 GLY A 46 9.408 -10.986 -0.021 1.00 1.12 H new ATOM 753 N ARG A 47 6.906 -11.784 0.135 1.00 0.80 N ATOM 754 CA ARG A 47 5.489 -11.971 -0.154 1.00 0.76 C ATOM 755 C ARG A 47 4.654 -10.817 0.390 1.00 0.85 C ATOM 756 O ARG A 47 5.129 -10.013 1.191 1.00 1.71 O ATOM 757 CB ARG A 47 4.987 -13.293 0.427 1.00 0.99 C ATOM 758 CG ARG A 47 5.670 -13.692 1.723 1.00 1.31 C ATOM 759 CD ARG A 47 5.558 -12.601 2.774 1.00 1.11 C ATOM 760 NE ARG A 47 6.292 -12.935 3.991 1.00 1.41 N ATOM 761 CZ ARG A 47 5.893 -13.857 4.861 1.00 1.71 C ATOM 762 NH1 ARG A 47 4.771 -14.530 4.645 1.00 2.41 N ATOM 763 NH2 ARG A 47 6.613 -14.105 5.947 1.00 2.03 N ATOM 0 H ARG A 47 7.100 -11.231 0.970 1.00 0.80 H new ATOM 0 HA ARG A 47 5.378 -11.995 -1.238 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.914 -13.218 0.601 1.00 0.99 H new ATOM 0 HB3 ARG A 47 5.136 -14.083 -0.309 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.223 -14.611 2.103 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.721 -13.905 1.530 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.939 -11.665 2.366 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.508 -12.439 3.017 1.00 1.11 H new ATOM 0 HE ARG A 47 7.159 -12.433 4.184 1.00 1.41 H new ATOM 0 HH11 ARG A 47 4.215 -14.340 3.811 1.00 2.41 H new ATOM 0 HH12 ARG A 47 4.464 -15.238 5.312 1.00 2.41 H new ATOM 0 HH21 ARG A 47 7.475 -13.587 6.116 1.00 2.03 H new ATOM 0 HH22 ARG A 47 6.304 -14.813 6.613 1.00 2.03 H new ATOM 777 N TRP A 48 3.407 -10.748 -0.063 1.00 0.50 N ATOM 778 CA TRP A 48 2.487 -9.707 0.347 1.00 0.43 C ATOM 779 C TRP A 48 2.089 -9.845 1.810 1.00 0.45 C ATOM 780 O TRP A 48 1.520 -10.858 2.218 1.00 0.65 O ATOM 781 CB TRP A 48 1.246 -9.732 -0.540 1.00 0.47 C ATOM 782 CG TRP A 48 1.583 -9.627 -1.992 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.431 -10.587 -2.947 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.144 -8.491 -2.649 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.862 -10.113 -4.162 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.305 -8.826 -4.003 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.524 -7.220 -2.218 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.832 -7.930 -4.931 1.00 0.41 C ATOM 789 CZ3 TRP A 48 3.045 -6.334 -3.136 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.195 -6.691 -4.478 1.00 0.38 C ATOM 0 H TRP A 48 3.011 -11.415 -0.725 1.00 0.50 H new ATOM 0 HA TRP A 48 2.997 -8.750 0.235 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.695 -10.656 -0.363 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.587 -8.909 -0.262 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.031 -11.575 -2.774 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.854 -10.634 -5.039 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.412 -6.935 -1.182 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.950 -8.203 -5.969 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.342 -5.347 -2.812 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.606 -5.974 -5.173 1.00 0.38 H new ATOM 801 N LEU A 49 2.388 -8.814 2.591 1.00 0.38 N ATOM 802 CA LEU A 49 2.063 -8.804 4.012 1.00 0.42 C ATOM 803 C LEU A 49 1.651 -7.405 4.458 1.00 0.36 C ATOM 804 O LEU A 49 2.349 -6.428 4.191 1.00 0.39 O ATOM 805 CB LEU A 49 3.261 -9.285 4.831 1.00 0.52 C ATOM 806 CG LEU A 49 3.041 -10.595 5.589 1.00 0.67 C ATOM 807 CD1 LEU A 49 2.102 -10.379 6.766 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.489 -11.659 4.657 1.00 0.84 C ATOM 0 H LEU A 49 2.857 -7.970 2.262 1.00 0.38 H new ATOM 0 HA LEU A 49 1.226 -9.482 4.179 1.00 0.42 H new ATOM 0 HB2 LEU A 49 4.113 -9.408 4.163 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.528 -8.508 5.548 1.00 0.52 H new ATOM 0 HG LEU A 49 4.002 -10.937 5.974 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.957 -11.322 7.294 1.00 1.28 H new ATOM 0 HD12 LEU A 49 2.534 -9.645 7.446 1.00 1.28 H new ATOM 0 HD13 LEU A 49 1.141 -10.015 6.403 1.00 1.28 H new ATOM 0 HD21 LEU A 49 2.338 -12.585 5.211 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.537 -11.323 4.245 1.00 0.84 H new ATOM 0 HD23 LEU A 49 3.195 -11.833 3.845 1.00 0.84 H new ATOM 820 N LYS A 50 0.511 -7.316 5.135 1.00 0.40 N ATOM 821 CA LYS A 50 0.008 -6.028 5.612 1.00 0.40 C ATOM 822 C LYS A 50 1.092 -5.271 6.372 1.00 0.47 C ATOM 823 O LYS A 50 1.253 -5.443 7.580 1.00 0.85 O ATOM 824 CB LYS A 50 -1.218 -6.211 6.514 1.00 0.59 C ATOM 825 CG LYS A 50 -2.126 -7.369 6.114 1.00 0.72 C ATOM 826 CD LYS A 50 -3.467 -7.327 6.841 1.00 1.03 C ATOM 827 CE LYS A 50 -3.304 -7.067 8.332 1.00 0.86 C ATOM 828 NZ LYS A 50 -2.349 -8.018 8.966 1.00 1.30 N ATOM 0 H LYS A 50 -0.081 -8.114 5.366 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.285 -5.449 4.737 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -0.880 -6.367 7.539 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -1.800 -5.289 6.507 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.297 -7.340 5.038 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.626 -8.313 6.332 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -4.091 -6.548 6.404 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.988 -8.273 6.694 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.954 -6.046 8.485 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.274 -7.148 8.822 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -2.757 -8.381 9.851 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -2.167 -8.811 8.318 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -1.456 -7.527 9.172 1.00 1.30 H new ATOM 842 N ALA A 51 1.834 -4.432 5.656 1.00 0.45 N ATOM 843 CA ALA A 51 2.902 -3.647 6.266 1.00 0.63 C ATOM 844 C ALA A 51 2.344 -2.693 7.312 1.00 0.55 C ATOM 845 O ALA A 51 2.798 -2.671 8.456 1.00 0.72 O ATOM 846 CB ALA A 51 3.660 -2.869 5.201 1.00 0.86 C ATOM 0 H ALA A 51 1.716 -4.278 4.655 1.00 0.45 H new ATOM 0 HA ALA A 51 3.589 -4.334 6.759 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.454 -2.288 5.671 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.095 -3.564 4.483 1.00 0.86 H new ATOM 0 HB3 ALA A 51 2.975 -2.196 4.685 1.00 0.86 H new ATOM 852 N ASN A 52 1.355 -1.906 6.907 1.00 0.42 N ATOM 853 CA ASN A 52 0.728 -0.942 7.804 1.00 0.43 C ATOM 854 C ASN A 52 0.123 -1.631 9.019 1.00 0.59 C ATOM 855 O ASN A 52 -0.195 -2.819 8.983 1.00 1.60 O ATOM 856 CB ASN A 52 -0.361 -0.164 7.068 1.00 0.38 C ATOM 857 CG ASN A 52 -1.545 -1.036 6.705 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.536 -1.712 5.678 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.570 -1.026 7.548 1.00 0.62 N ATOM 0 H ASN A 52 0.969 -1.916 5.963 1.00 0.42 H new ATOM 0 HA ASN A 52 1.502 -0.254 8.144 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.699 0.662 7.693 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.057 0.273 6.161 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.394 -1.595 7.355 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.533 -0.449 8.389 1.00 0.62 H new ATOM 866 N PHE A 53 -0.039 -0.869 10.090 1.00 0.81 N ATOM 867 CA PHE A 53 -0.615 -1.391 11.322 1.00 0.82 C ATOM 868 C PHE A 53 -1.015 -0.252 12.256 1.00 0.84 C ATOM 869 O PHE A 53 -1.012 -0.410 13.477 1.00 1.20 O ATOM 870 CB PHE A 53 0.382 -2.311 12.026 1.00 0.96 C ATOM 871 CG PHE A 53 -0.283 -3.377 12.845 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.230 -4.216 12.281 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.044 -3.540 14.178 1.00 1.68 C ATOM 874 CE1 PHE A 53 -1.838 -5.201 13.036 1.00 1.66 C ATOM 875 CE2 PHE A 53 -0.560 -4.520 14.938 1.00 2.08 C ATOM 876 CZ PHE A 53 -1.528 -5.349 14.352 1.00 1.96 C ATOM 0 H PHE A 53 0.221 0.116 10.132 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.507 -1.962 11.064 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.024 -2.780 11.281 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.026 -1.714 12.671 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.496 -4.099 11.241 1.00 1.32 H new ATOM 0 HD2 PHE A 53 0.781 -2.893 14.630 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -2.564 -5.857 12.578 1.00 1.66 H new ATOM 0 HE2 PHE A 53 -0.290 -4.648 15.976 1.00 2.08 H new ATOM 0 HZ PHE A 53 -2.026 -6.103 14.944 1.00 1.96 H new ATOM 886 N SER A 54 -1.355 0.899 11.677 1.00 0.79 N ATOM 887 CA SER A 54 -1.751 2.062 12.465 1.00 0.89 C ATOM 888 C SER A 54 -3.077 2.636 11.975 1.00 0.95 C ATOM 889 O SER A 54 -3.274 3.852 11.969 1.00 1.89 O ATOM 890 CB SER A 54 -0.662 3.136 12.402 1.00 1.00 C ATOM 891 OG SER A 54 0.005 3.111 11.152 1.00 1.71 O ATOM 0 H SER A 54 -1.364 1.049 10.668 1.00 0.79 H new ATOM 0 HA SER A 54 -1.881 1.740 13.498 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.106 4.119 12.562 1.00 1.00 H new ATOM 0 HB3 SER A 54 0.057 2.977 13.205 1.00 1.00 H new ATOM 0 HG SER A 54 0.695 3.807 11.135 1.00 1.71 H new ATOM 897 N ASN A 55 -3.982 1.754 11.562 1.00 0.75 N ATOM 898 CA ASN A 55 -5.291 2.172 11.070 1.00 0.69 C ATOM 899 C ASN A 55 -5.152 3.265 10.014 1.00 0.66 C ATOM 900 O ASN A 55 -4.973 4.438 10.340 1.00 1.05 O ATOM 901 CB ASN A 55 -6.159 2.669 12.228 1.00 0.84 C ATOM 902 CG ASN A 55 -7.567 2.108 12.183 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.117 1.699 13.206 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.159 2.086 10.995 1.00 0.83 N ATOM 0 H ASN A 55 -3.833 0.745 11.558 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.772 1.309 10.610 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.691 2.392 13.173 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.205 3.758 12.202 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.107 1.720 10.904 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.666 2.435 10.173 1.00 0.83 H new ATOM 911 N ILE A 56 -5.235 2.869 8.749 1.00 0.40 N ATOM 912 CA ILE A 56 -5.116 3.809 7.639 1.00 0.33 C ATOM 913 C ILE A 56 -6.476 4.366 7.231 1.00 0.31 C ATOM 914 O ILE A 56 -7.185 3.763 6.425 1.00 0.53 O ATOM 915 CB ILE A 56 -4.469 3.138 6.415 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.197 2.396 6.829 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.170 4.170 5.337 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.425 1.808 5.667 1.00 0.69 C ATOM 0 H ILE A 56 -5.385 1.901 8.465 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.484 4.627 7.985 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.170 2.412 6.002 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.548 3.082 7.373 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.463 1.595 7.518 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.713 3.678 4.479 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -5.097 4.652 5.027 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.485 4.921 5.732 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.537 1.298 6.041 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -3.055 1.096 5.135 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.126 2.606 4.988 1.00 0.69 H new ATOM 930 N LEU A 57 -6.837 5.516 7.787 1.00 0.44 N ATOM 931 CA LEU A 57 -8.115 6.146 7.475 1.00 0.45 C ATOM 932 C LEU A 57 -8.074 6.832 6.112 1.00 0.42 C ATOM 933 O LEU A 57 -8.903 6.555 5.245 1.00 0.60 O ATOM 934 CB LEU A 57 -8.492 7.157 8.558 1.00 0.48 C ATOM 935 CG LEU A 57 -9.942 7.649 8.513 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.103 8.726 7.450 1.00 1.60 C ATOM 937 CD2 LEU A 57 -10.899 6.493 8.252 1.00 0.72 C ATOM 0 H LEU A 57 -6.264 6.031 8.455 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.872 5.363 7.441 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.308 6.707 9.533 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -7.830 8.019 8.475 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.187 8.079 9.484 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.139 9.066 7.430 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.450 9.567 7.682 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -9.836 8.318 6.475 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -11.922 6.867 8.224 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -10.657 6.029 7.296 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.804 5.755 9.048 1.00 0.72 H new ATOM 949 N GLU A 58 -7.108 7.727 5.926 1.00 0.39 N ATOM 950 CA GLU A 58 -6.968 8.442 4.667 1.00 0.43 C ATOM 951 C GLU A 58 -6.223 7.590 3.650 1.00 0.51 C ATOM 952 O GLU A 58 -5.720 6.515 3.976 1.00 1.09 O ATOM 953 CB GLU A 58 -6.229 9.766 4.883 1.00 0.44 C ATOM 954 CG GLU A 58 -4.899 9.612 5.602 1.00 0.44 C ATOM 955 CD GLU A 58 -4.880 10.314 6.944 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.854 10.158 7.710 1.00 1.54 O ATOM 957 OE2 GLU A 58 -3.891 11.021 7.231 1.00 1.29 O ATOM 0 H GLU A 58 -6.413 7.972 6.631 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.965 8.655 4.282 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.057 10.238 3.916 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.867 10.439 5.457 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.689 8.552 5.747 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.102 10.012 4.975 1.00 0.44 H new ATOM 964 N ASN A 59 -6.155 8.074 2.418 1.00 0.31 N ATOM 965 CA ASN A 59 -5.468 7.350 1.357 1.00 0.28 C ATOM 966 C ASN A 59 -3.965 7.640 1.362 1.00 0.28 C ATOM 967 O ASN A 59 -3.220 7.079 0.561 1.00 0.49 O ATOM 968 CB ASN A 59 -6.066 7.703 -0.007 1.00 0.32 C ATOM 969 CG ASN A 59 -5.819 9.148 -0.401 1.00 0.86 C ATOM 970 OD1 ASN A 59 -4.834 9.761 0.013 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.718 9.703 -1.206 1.00 0.91 N ATOM 0 H ASN A 59 -6.565 8.962 2.129 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.607 6.285 1.542 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.641 7.046 -0.766 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -7.139 7.515 0.012 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.606 10.672 -1.504 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.520 9.160 -1.526 1.00 0.91 H new ATOM 978 N GLU A 60 -3.519 8.511 2.267 1.00 0.29 N ATOM 979 CA GLU A 60 -2.105 8.853 2.360 1.00 0.29 C ATOM 980 C GLU A 60 -1.475 8.159 3.560 1.00 0.27 C ATOM 981 O GLU A 60 -1.652 8.590 4.699 1.00 0.35 O ATOM 982 CB GLU A 60 -1.925 10.367 2.480 1.00 0.34 C ATOM 983 CG GLU A 60 -0.476 10.795 2.645 1.00 0.49 C ATOM 984 CD GLU A 60 -0.341 12.243 3.071 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.375 13.128 2.190 1.00 1.91 O ATOM 986 OE2 GLU A 60 -0.201 12.494 4.287 1.00 2.05 O ATOM 0 H GLU A 60 -4.115 8.989 2.942 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.608 8.514 1.451 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.338 10.845 1.592 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.501 10.727 3.333 1.00 0.34 H new ATOM 0 HG2 GLU A 60 0.006 10.156 3.385 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.052 10.646 1.703 1.00 0.49 H new ATOM 993 N PHE A 61 -0.748 7.081 3.300 1.00 0.24 N ATOM 994 CA PHE A 61 -0.106 6.329 4.369 1.00 0.24 C ATOM 995 C PHE A 61 1.333 5.971 4.009 1.00 0.24 C ATOM 996 O PHE A 61 1.736 6.060 2.849 1.00 0.25 O ATOM 997 CB PHE A 61 -0.911 5.063 4.671 1.00 0.28 C ATOM 998 CG PHE A 61 -0.226 4.129 5.621 1.00 0.33 C ATOM 999 CD1 PHE A 61 0.638 3.165 5.144 1.00 0.37 C ATOM 1000 CD2 PHE A 61 -0.441 4.219 6.988 1.00 0.41 C ATOM 1001 CE1 PHE A 61 1.278 2.304 6.004 1.00 0.44 C ATOM 1002 CE2 PHE A 61 0.198 3.357 7.858 1.00 0.48 C ATOM 1003 CZ PHE A 61 1.059 2.396 7.366 1.00 0.48 C ATOM 0 H PHE A 61 -0.589 6.709 2.364 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.078 6.957 5.259 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.877 5.348 5.088 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -1.109 4.537 3.737 1.00 0.28 H new ATOM 0 HD1 PHE A 61 0.814 3.086 4.081 1.00 0.37 H new ATOM 0 HD2 PHE A 61 -1.114 4.970 7.376 1.00 0.41 H new ATOM 0 HE1 PHE A 61 1.952 1.555 5.615 1.00 0.44 H new ATOM 0 HE2 PHE A 61 0.024 3.435 8.921 1.00 0.48 H new ATOM 0 HZ PHE A 61 1.559 1.719 8.042 1.00 0.48 H new ATOM 1013 N THR A 62 2.103 5.567 5.017 1.00 0.25 N ATOM 1014 CA THR A 62 3.494 5.197 4.814 1.00 0.27 C ATOM 1015 C THR A 62 3.759 3.759 5.245 1.00 0.29 C ATOM 1016 O THR A 62 3.671 3.423 6.426 1.00 0.35 O ATOM 1017 CB THR A 62 4.414 6.146 5.581 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.236 7.483 5.146 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.881 5.805 5.431 1.00 0.37 C ATOM 0 H THR A 62 1.783 5.489 5.982 1.00 0.25 H new ATOM 0 HA THR A 62 3.703 5.275 3.747 1.00 0.27 H new ATOM 0 HB THR A 62 4.135 6.034 6.629 1.00 0.33 H new ATOM 0 HG1 THR A 62 5.088 7.834 4.812 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.480 6.516 6.000 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.061 4.798 5.807 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.160 5.855 4.379 1.00 0.37 H new ATOM 1027 N VAL A 63 4.089 2.917 4.272 1.00 0.31 N ATOM 1028 CA VAL A 63 4.377 1.512 4.528 1.00 0.36 C ATOM 1029 C VAL A 63 5.765 1.329 5.130 1.00 0.38 C ATOM 1030 O VAL A 63 6.754 1.191 4.411 1.00 0.50 O ATOM 1031 CB VAL A 63 4.274 0.687 3.237 1.00 0.44 C ATOM 1032 CG1 VAL A 63 2.817 0.509 2.839 1.00 0.58 C ATOM 1033 CG2 VAL A 63 5.052 1.358 2.125 1.00 1.08 C ATOM 0 H VAL A 63 4.164 3.187 3.291 1.00 0.31 H new ATOM 0 HA VAL A 63 3.634 1.159 5.243 1.00 0.36 H new ATOM 0 HB VAL A 63 4.704 -0.299 3.414 1.00 0.44 H new ATOM 0 HG11 VAL A 63 2.759 -0.078 1.922 1.00 0.58 H new ATOM 0 HG12 VAL A 63 2.283 -0.009 3.636 1.00 0.58 H new ATOM 0 HG13 VAL A 63 2.363 1.486 2.674 1.00 0.58 H new ATOM 0 HG21 VAL A 63 4.972 0.764 1.215 1.00 1.08 H new ATOM 0 HG22 VAL A 63 4.645 2.353 1.946 1.00 1.08 H new ATOM 0 HG23 VAL A 63 6.100 1.441 2.413 1.00 1.08 H new ATOM 1043 N SER A 64 5.826 1.329 6.458 1.00 0.49 N ATOM 1044 CA SER A 64 7.089 1.162 7.167 1.00 0.55 C ATOM 1045 C SER A 64 7.333 -0.306 7.506 1.00 0.63 C ATOM 1046 O SER A 64 6.507 -1.169 7.205 1.00 0.99 O ATOM 1047 CB SER A 64 7.089 2.002 8.447 1.00 0.63 C ATOM 1048 OG SER A 64 6.417 1.330 9.500 1.00 1.33 O ATOM 0 H SER A 64 5.014 1.443 7.065 1.00 0.49 H new ATOM 0 HA SER A 64 7.894 1.502 6.515 1.00 0.55 H new ATOM 0 HB2 SER A 64 8.115 2.216 8.745 1.00 0.63 H new ATOM 0 HB3 SER A 64 6.606 2.960 8.257 1.00 0.63 H new ATOM 0 HG SER A 64 6.433 1.887 10.306 1.00 1.33 H new ATOM 1054 N GLY A 65 8.472 -0.584 8.133 1.00 0.71 N ATOM 1055 CA GLY A 65 8.804 -1.949 8.502 1.00 0.78 C ATOM 1056 C GLY A 65 9.418 -2.727 7.354 1.00 0.72 C ATOM 1057 O GLY A 65 9.130 -3.910 7.172 1.00 0.90 O ATOM 0 H GLY A 65 9.171 0.112 8.392 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.499 -1.936 9.341 1.00 0.78 H new ATOM 0 HA3 GLY A 65 7.903 -2.460 8.842 1.00 0.78 H new ATOM 1061 N LEU A 66 10.264 -2.059 6.576 1.00 0.64 N ATOM 1062 CA LEU A 66 10.917 -2.694 5.438 1.00 0.65 C ATOM 1063 C LEU A 66 12.378 -3.006 5.745 1.00 0.59 C ATOM 1064 O LEU A 66 12.785 -3.045 6.906 1.00 0.65 O ATOM 1065 CB LEU A 66 10.822 -1.794 4.207 1.00 0.74 C ATOM 1066 CG LEU A 66 9.457 -1.141 3.996 1.00 0.89 C ATOM 1067 CD1 LEU A 66 9.504 -0.157 2.838 1.00 0.89 C ATOM 1068 CD2 LEU A 66 8.391 -2.200 3.756 1.00 1.47 C ATOM 0 H LEU A 66 10.513 -1.079 6.713 1.00 0.64 H new ATOM 0 HA LEU A 66 10.404 -3.634 5.236 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.576 -1.011 4.288 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.068 -2.383 3.323 1.00 0.74 H new ATOM 0 HG LEU A 66 9.198 -0.590 4.900 1.00 0.89 H new ATOM 0 HD11 LEU A 66 8.522 0.296 2.706 1.00 0.89 H new ATOM 0 HD12 LEU A 66 10.237 0.621 3.051 1.00 0.89 H new ATOM 0 HD13 LEU A 66 9.787 -0.682 1.926 1.00 0.89 H new ATOM 0 HD21 LEU A 66 7.425 -1.717 3.608 1.00 1.47 H new ATOM 0 HD22 LEU A 66 8.647 -2.779 2.869 1.00 1.47 H new ATOM 0 HD23 LEU A 66 8.336 -2.863 4.619 1.00 1.47 H new ATOM 1080 N THR A 67 13.160 -3.227 4.695 1.00 0.65 N ATOM 1081 CA THR A 67 14.575 -3.538 4.848 1.00 0.69 C ATOM 1082 C THR A 67 15.408 -2.857 3.768 1.00 0.72 C ATOM 1083 O THR A 67 14.955 -2.680 2.637 1.00 1.06 O ATOM 1084 CB THR A 67 14.792 -5.051 4.798 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.891 -5.715 5.667 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.193 -5.466 5.185 1.00 0.99 C ATOM 0 H THR A 67 12.837 -3.196 3.728 1.00 0.65 H new ATOM 0 HA THR A 67 14.899 -3.161 5.818 1.00 0.69 H new ATOM 0 HB THR A 67 14.620 -5.334 3.760 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.131 -6.057 5.151 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.280 -6.551 5.129 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.909 -5.009 4.503 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.401 -5.138 6.203 1.00 0.99 H new ATOM 1094 N GLU A 68 16.630 -2.476 4.127 1.00 0.66 N ATOM 1095 CA GLU A 68 17.532 -1.812 3.193 1.00 0.67 C ATOM 1096 C GLU A 68 18.166 -2.818 2.241 1.00 0.60 C ATOM 1097 O GLU A 68 18.383 -3.976 2.598 1.00 0.69 O ATOM 1098 CB GLU A 68 18.619 -1.056 3.957 1.00 0.76 C ATOM 1099 CG GLU A 68 18.494 0.454 3.856 1.00 0.96 C ATOM 1100 CD GLU A 68 19.724 1.175 4.368 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.755 1.162 3.664 1.00 1.91 O ATOM 1102 OE2 GLU A 68 19.657 1.753 5.473 1.00 1.89 O ATOM 0 H GLU A 68 17.019 -2.616 5.060 1.00 0.66 H new ATOM 0 HA GLU A 68 16.951 -1.102 2.604 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.582 -1.346 5.007 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.595 -1.358 3.577 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.321 0.732 2.816 1.00 0.96 H new ATOM 0 HG3 GLU A 68 17.623 0.782 4.423 1.00 0.96 H new ATOM 1109 N ASP A 69 18.462 -2.367 1.026 1.00 0.52 N ATOM 1110 CA ASP A 69 19.071 -3.227 0.021 1.00 0.49 C ATOM 1111 C ASP A 69 18.090 -4.302 -0.436 1.00 0.44 C ATOM 1112 O ASP A 69 18.452 -5.470 -0.569 1.00 0.54 O ATOM 1113 CB ASP A 69 20.336 -3.879 0.579 1.00 0.59 C ATOM 1114 CG ASP A 69 21.525 -3.721 -0.347 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.310 -3.430 -1.542 1.00 1.87 O ATOM 1116 OD2 ASP A 69 22.669 -3.888 0.123 1.00 1.66 O ATOM 0 H ASP A 69 18.290 -1.411 0.715 1.00 0.52 H new ATOM 0 HA ASP A 69 19.337 -2.612 -0.839 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.572 -3.437 1.547 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.150 -4.939 0.749 1.00 0.59 H new ATOM 1121 N ALA A 70 16.845 -3.898 -0.673 1.00 0.40 N ATOM 1122 CA ALA A 70 15.813 -4.828 -1.111 1.00 0.40 C ATOM 1123 C ALA A 70 14.619 -4.094 -1.708 1.00 0.35 C ATOM 1124 O ALA A 70 14.029 -3.225 -1.066 1.00 0.36 O ATOM 1125 CB ALA A 70 15.359 -5.690 0.056 1.00 0.49 C ATOM 0 H ALA A 70 16.528 -2.934 -0.569 1.00 0.40 H new ATOM 0 HA ALA A 70 16.242 -5.462 -1.887 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.587 -6.382 -0.281 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.208 -6.254 0.444 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.956 -5.053 0.844 1.00 0.49 H new ATOM 1131 N ALA A 71 14.261 -4.452 -2.937 1.00 0.33 N ATOM 1132 CA ALA A 71 13.128 -3.827 -3.606 1.00 0.30 C ATOM 1133 C ALA A 71 11.831 -4.203 -2.907 1.00 0.27 C ATOM 1134 O ALA A 71 11.637 -5.355 -2.520 1.00 0.36 O ATOM 1135 CB ALA A 71 13.087 -4.233 -5.071 1.00 0.34 C ATOM 0 H ALA A 71 14.737 -5.168 -3.487 1.00 0.33 H new ATOM 0 HA ALA A 71 13.245 -2.745 -3.555 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.235 -3.758 -5.557 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.007 -3.917 -5.562 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.990 -5.316 -5.146 1.00 0.34 H new ATOM 1141 N TYR A 72 10.948 -3.227 -2.729 1.00 0.24 N ATOM 1142 CA TYR A 72 9.681 -3.476 -2.055 1.00 0.24 C ATOM 1143 C TYR A 72 8.491 -2.899 -2.813 1.00 0.21 C ATOM 1144 O TYR A 72 8.395 -1.687 -3.011 1.00 0.23 O ATOM 1145 CB TYR A 72 9.718 -2.879 -0.650 1.00 0.30 C ATOM 1146 CG TYR A 72 10.417 -3.753 0.360 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.741 -4.787 0.991 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.751 -3.545 0.683 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.372 -5.592 1.918 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.392 -4.346 1.610 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.698 -5.368 2.224 1.00 0.46 C ATOM 1152 OH TYR A 72 12.332 -6.168 3.147 1.00 0.56 O ATOM 0 H TYR A 72 11.085 -2.265 -3.039 1.00 0.24 H new ATOM 0 HA TYR A 72 9.551 -4.557 -2.009 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.218 -1.911 -0.689 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.697 -2.697 -0.315 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.703 -4.965 0.753 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.296 -2.746 0.203 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.831 -6.392 2.401 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.430 -4.173 1.852 1.00 0.42 H new ATOM 0 HH TYR A 72 13.092 -6.619 2.722 1.00 0.56 H new ATOM 1162 N GLU A 73 7.572 -3.777 -3.209 1.00 0.21 N ATOM 1163 CA GLU A 73 6.365 -3.359 -3.917 1.00 0.21 C ATOM 1164 C GLU A 73 5.220 -3.272 -2.916 1.00 0.23 C ATOM 1165 O GLU A 73 5.198 -4.028 -1.945 1.00 0.32 O ATOM 1166 CB GLU A 73 6.024 -4.348 -5.033 1.00 0.25 C ATOM 1167 CG GLU A 73 6.099 -3.743 -6.424 1.00 0.65 C ATOM 1168 CD GLU A 73 6.361 -4.778 -7.500 1.00 0.68 C ATOM 1169 OE1 GLU A 73 6.116 -5.976 -7.242 1.00 1.50 O ATOM 1170 OE2 GLU A 73 6.809 -4.392 -8.599 1.00 1.32 O ATOM 0 H GLU A 73 7.641 -4.782 -3.051 1.00 0.21 H new ATOM 0 HA GLU A 73 6.530 -2.384 -4.376 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.707 -5.196 -4.977 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.019 -4.737 -4.868 1.00 0.25 H new ATOM 0 HG2 GLU A 73 5.164 -3.227 -6.642 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.890 -2.993 -6.447 1.00 0.65 H new ATOM 1177 N PHE A 74 4.279 -2.350 -3.113 1.00 0.22 N ATOM 1178 CA PHE A 74 3.179 -2.232 -2.136 1.00 0.28 C ATOM 1179 C PHE A 74 1.795 -2.030 -2.755 1.00 0.25 C ATOM 1180 O PHE A 74 1.521 -0.996 -3.362 1.00 0.30 O ATOM 1181 CB PHE A 74 3.437 -1.078 -1.148 1.00 0.39 C ATOM 1182 CG PHE A 74 4.832 -0.519 -1.179 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.160 0.501 -2.054 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.809 -1.015 -0.335 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.441 1.020 -2.089 1.00 0.60 C ATOM 1186 CE2 PHE A 74 7.093 -0.503 -0.363 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.409 0.516 -1.242 1.00 0.53 C ATOM 0 H PHE A 74 4.246 -1.699 -3.898 1.00 0.22 H new ATOM 0 HA PHE A 74 3.170 -3.195 -1.625 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.734 -0.273 -1.361 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.224 -1.429 -0.138 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.406 0.897 -2.718 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.566 -1.811 0.353 1.00 0.42 H new ATOM 0 HE1 PHE A 74 6.684 1.817 -2.776 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.848 -0.898 0.301 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.411 0.918 -1.267 1.00 0.53 H new ATOM 1197 N ARG A 75 0.910 -3.011 -2.553 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.465 -2.921 -3.048 1.00 0.34 C ATOM 1199 C ARG A 75 -1.387 -2.624 -1.871 1.00 0.31 C ATOM 1200 O ARG A 75 -0.960 -2.716 -0.723 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.915 -4.211 -3.749 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.261 -5.487 -3.241 1.00 0.94 C ATOM 1203 CD ARG A 75 -0.815 -6.702 -3.978 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.793 -7.919 -3.174 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.490 -8.080 -2.054 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.257 -7.101 -1.600 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -1.421 -9.225 -1.389 1.00 1.87 N ATOM 0 H ARG A 75 1.121 -3.874 -2.052 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.512 -2.122 -3.787 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -1.995 -4.307 -3.639 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.710 -4.116 -4.815 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.818 -5.430 -3.382 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.438 -5.592 -2.171 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.840 -6.496 -4.286 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -0.235 -6.864 -4.887 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.208 -8.692 -3.490 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.314 -6.220 -2.110 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.791 -7.228 -0.740 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -0.833 -9.982 -1.737 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.956 -9.349 -0.529 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.642 -2.262 -2.132 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.552 -1.962 -1.022 1.00 0.39 C ATOM 1223 C VAL A 76 -4.934 -2.611 -1.175 1.00 0.31 C ATOM 1224 O VAL A 76 -5.599 -2.481 -2.201 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.693 -0.424 -0.777 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -3.654 0.353 -2.078 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.958 -0.071 0.010 1.00 0.47 C ATOM 0 H VAL A 76 -3.044 -2.171 -3.065 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.087 -2.409 -0.143 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.834 -0.133 -0.172 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.755 1.418 -1.869 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -2.705 0.170 -2.583 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -4.474 0.030 -2.719 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -5.008 1.008 0.153 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.836 -0.405 -0.543 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -4.932 -0.565 0.981 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.347 -3.283 -0.103 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.629 -3.943 -0.013 1.00 0.31 C ATOM 1239 C ILE A 77 -7.411 -3.303 1.131 1.00 0.30 C ATOM 1240 O ILE A 77 -6.808 -2.792 2.075 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.446 -5.446 0.270 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.733 -6.132 -0.892 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.780 -6.106 0.537 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.171 -7.486 -0.532 1.00 0.42 C ATOM 0 H ILE A 77 -4.781 -3.381 0.740 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.164 -3.835 -0.957 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.827 -5.550 1.161 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.431 -6.245 -1.722 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.923 -5.491 -1.241 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.628 -7.167 0.734 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.250 -5.639 1.403 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.425 -5.988 -0.334 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.678 -7.918 -1.403 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.449 -7.377 0.277 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.980 -8.142 -0.210 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.736 -3.310 1.065 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.518 -2.696 2.140 1.00 0.30 C ATOM 1258 C ALA A 78 -10.943 -3.227 2.206 1.00 0.34 C ATOM 1259 O ALA A 78 -11.644 -3.262 1.200 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.536 -1.184 1.970 1.00 0.39 C ATOM 0 H ALA A 78 -9.282 -3.719 0.306 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.033 -2.960 3.080 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -10.120 -0.734 2.773 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.516 -0.802 2.005 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.986 -0.931 1.010 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.381 -3.617 3.404 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.743 -4.117 3.572 1.00 0.43 C ATOM 1268 C LYS A 79 -13.682 -2.957 3.802 1.00 0.59 C ATOM 1269 O LYS A 79 -14.296 -2.825 4.861 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.877 -5.136 4.701 1.00 0.56 C ATOM 1271 CG LYS A 79 -11.678 -5.238 5.627 1.00 1.07 C ATOM 1272 CD LYS A 79 -11.896 -6.297 6.696 1.00 1.50 C ATOM 1273 CE LYS A 79 -10.972 -7.489 6.498 1.00 1.71 C ATOM 1274 NZ LYS A 79 -9.539 -7.110 6.635 1.00 1.98 N ATOM 0 H LYS A 79 -10.823 -3.597 4.257 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.007 -4.641 2.653 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.754 -4.882 5.296 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.062 -6.117 4.263 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -10.787 -5.481 5.047 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.497 -4.273 6.100 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -11.724 -5.862 7.681 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -12.933 -6.632 6.672 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -11.215 -8.261 7.228 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.141 -7.919 5.511 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -8.985 -7.944 6.915 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -9.187 -6.750 5.725 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -9.443 -6.371 7.360 1.00 1.98 H new ATOM 1288 N ASN A 80 -13.759 -2.132 2.768 1.00 0.65 N ATOM 1289 CA ASN A 80 -14.588 -0.927 2.713 1.00 0.70 C ATOM 1290 C ASN A 80 -15.229 -0.539 4.060 1.00 0.87 C ATOM 1291 O ASN A 80 -14.545 -0.018 4.940 1.00 1.55 O ATOM 1292 CB ASN A 80 -15.628 -1.100 1.617 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.064 -0.762 0.253 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -13.889 -1.009 -0.026 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -15.896 -0.193 -0.603 1.00 2.05 N ATOM 0 H ASN A 80 -13.228 -2.285 1.911 1.00 0.65 H new ATOM 0 HA ASN A 80 -13.934 -0.087 2.479 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -15.989 -2.128 1.617 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.486 -0.461 1.825 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -15.573 0.060 -1.537 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -16.861 -0.007 -0.329 1.00 2.05 H new ATOM 1302 N ALA A 81 -16.533 -0.783 4.227 1.00 0.76 N ATOM 1303 CA ALA A 81 -17.211 -0.437 5.471 1.00 0.82 C ATOM 1304 C ALA A 81 -17.871 -1.652 6.115 1.00 0.88 C ATOM 1305 O ALA A 81 -17.772 -1.851 7.327 1.00 1.08 O ATOM 1306 CB ALA A 81 -18.247 0.652 5.223 1.00 0.83 C ATOM 0 H ALA A 81 -17.131 -1.214 3.522 1.00 0.76 H new ATOM 0 HA ALA A 81 -16.456 -0.065 6.163 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -18.745 0.900 6.160 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -17.754 1.540 4.828 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -18.984 0.296 4.503 1.00 0.83 H new ATOM 1312 N ALA A 82 -18.555 -2.459 5.309 1.00 0.81 N ATOM 1313 CA ALA A 82 -19.236 -3.641 5.823 1.00 0.90 C ATOM 1314 C ALA A 82 -18.504 -4.929 5.457 1.00 0.88 C ATOM 1315 O ALA A 82 -19.127 -5.905 5.037 1.00 1.06 O ATOM 1316 CB ALA A 82 -20.668 -3.685 5.310 1.00 0.94 C ATOM 0 H ALA A 82 -18.652 -2.317 4.304 1.00 0.81 H new ATOM 0 HA ALA A 82 -19.243 -3.568 6.911 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.167 -4.572 5.700 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.201 -2.794 5.641 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.663 -3.721 4.221 1.00 0.94 H new ATOM 1322 N GLY A 83 -17.184 -4.937 5.623 1.00 0.82 N ATOM 1323 CA GLY A 83 -16.412 -6.124 5.307 1.00 0.86 C ATOM 1324 C GLY A 83 -16.246 -6.352 3.816 1.00 0.78 C ATOM 1325 O GLY A 83 -15.626 -7.333 3.403 1.00 0.93 O ATOM 0 H GLY A 83 -16.639 -4.147 5.969 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -15.427 -6.042 5.767 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -16.898 -6.994 5.749 1.00 0.86 H new ATOM 1329 N ALA A 84 -16.787 -5.449 3.000 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.672 -5.576 1.554 1.00 0.78 C ATOM 1331 C ALA A 84 -15.210 -5.495 1.148 1.00 0.76 C ATOM 1332 O ALA A 84 -14.693 -4.415 0.866 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.485 -4.496 0.857 1.00 0.92 C ATOM 0 H ALA A 84 -17.305 -4.629 3.315 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.069 -6.544 1.249 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.387 -4.607 -0.223 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.534 -4.592 1.138 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.118 -3.514 1.156 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.541 -6.640 1.142 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.131 -6.686 0.796 1.00 0.40 C ATOM 1341 C ILE A 85 -12.858 -6.160 -0.601 1.00 0.38 C ATOM 1342 O ILE A 85 -13.230 -6.774 -1.602 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.536 -8.103 0.936 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.005 -8.027 0.907 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -13.054 -9.022 -0.163 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.362 -8.261 2.256 1.00 0.79 C ATOM 0 H ILE A 85 -14.952 -7.545 1.372 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.639 -6.030 1.514 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.850 -8.522 1.892 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.626 -8.765 0.200 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.705 -7.047 0.536 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.620 -10.014 -0.042 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -14.140 -9.091 -0.098 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.773 -8.619 -1.136 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.278 -8.192 2.159 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.712 -7.507 2.961 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.632 -9.252 2.621 1.00 0.79 H new ATOM 1358 N SER A 86 -12.184 -5.023 -0.647 1.00 0.39 N ATOM 1359 CA SER A 86 -11.821 -4.396 -1.902 1.00 0.45 C ATOM 1360 C SER A 86 -10.510 -4.998 -2.396 1.00 0.44 C ATOM 1361 O SER A 86 -9.462 -4.791 -1.770 1.00 0.43 O ATOM 1362 CB SER A 86 -11.673 -2.885 -1.718 1.00 0.54 C ATOM 1363 OG SER A 86 -10.460 -2.567 -1.059 1.00 0.59 O ATOM 0 H SER A 86 -11.876 -4.513 0.181 1.00 0.39 H new ATOM 0 HA SER A 86 -12.605 -4.574 -2.638 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.702 -2.393 -2.690 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.515 -2.502 -1.141 1.00 0.54 H new ATOM 0 HG SER A 86 -9.723 -3.065 -1.472 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.543 -5.765 -3.509 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.357 -6.409 -4.063 1.00 0.61 C ATOM 1371 C PRO A 87 -8.110 -5.537 -3.968 1.00 0.54 C ATOM 1372 O PRO A 87 -8.200 -4.313 -3.867 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.722 -6.673 -5.529 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.175 -6.336 -5.681 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.733 -6.075 -4.307 1.00 0.59 C ATOM 0 HA PRO A 87 -9.106 -7.314 -3.510 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.112 -6.063 -6.195 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.537 -7.715 -5.792 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.299 -5.459 -6.317 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.709 -7.156 -6.161 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.441 -5.246 -4.312 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.263 -6.944 -3.917 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.921 -6.164 -3.996 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.645 -5.450 -3.907 1.00 0.56 C ATOM 1385 C PRO A 88 -5.436 -4.461 -5.040 1.00 0.48 C ATOM 1386 O PRO A 88 -5.619 -4.785 -6.212 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.589 -6.559 -3.983 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.299 -7.734 -4.564 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.724 -7.620 -4.109 1.00 0.72 C ATOM 0 HA PRO A 88 -5.597 -4.855 -2.995 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -3.747 -6.259 -4.607 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.188 -6.789 -2.996 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.235 -7.730 -5.652 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.853 -8.668 -4.222 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.413 -8.066 -4.826 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -6.885 -8.124 -3.156 1.00 0.72 H new ATOM 1397 N SER A 89 -5.035 -3.252 -4.673 1.00 0.43 N ATOM 1398 CA SER A 89 -4.776 -2.206 -5.644 1.00 0.42 C ATOM 1399 C SER A 89 -3.326 -2.280 -6.095 1.00 0.35 C ATOM 1400 O SER A 89 -2.423 -1.954 -5.320 1.00 0.51 O ATOM 1401 CB SER A 89 -5.071 -0.834 -5.039 1.00 0.56 C ATOM 1402 OG SER A 89 -6.388 -0.410 -5.345 1.00 1.28 O ATOM 0 H SER A 89 -4.882 -2.973 -3.704 1.00 0.43 H new ATOM 0 HA SER A 89 -5.428 -2.349 -6.505 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.942 -0.875 -3.957 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.355 -0.105 -5.418 1.00 0.56 H new ATOM 0 HG SER A 89 -6.388 0.553 -5.525 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.137 -2.727 -7.349 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.817 -2.892 -7.995 1.00 0.37 C ATOM 1410 C GLU A 90 -0.650 -2.361 -7.155 1.00 0.34 C ATOM 1411 O GLU A 90 -0.615 -1.182 -6.811 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.813 -2.192 -9.353 1.00 0.49 C ATOM 1413 CG GLU A 90 -0.979 -2.908 -10.403 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.747 -3.159 -11.685 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -2.586 -2.309 -12.050 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -1.509 -4.205 -12.325 1.00 1.76 O ATOM 0 H GLU A 90 -3.913 -2.990 -7.957 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.666 -3.966 -8.107 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.839 -2.107 -9.712 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.433 -1.178 -9.229 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -0.093 -2.314 -10.625 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -0.632 -3.859 -9.999 1.00 0.90 H new ATOM 1423 N PRO A 91 0.320 -3.225 -6.810 1.00 0.30 N ATOM 1424 CA PRO A 91 1.475 -2.826 -6.005 1.00 0.29 C ATOM 1425 C PRO A 91 2.236 -1.641 -6.588 1.00 0.31 C ATOM 1426 O PRO A 91 2.391 -1.524 -7.803 1.00 0.55 O ATOM 1427 CB PRO A 91 2.370 -4.065 -6.012 1.00 0.36 C ATOM 1428 CG PRO A 91 1.447 -5.199 -6.268 1.00 0.36 C ATOM 1429 CD PRO A 91 0.367 -4.656 -7.164 1.00 0.39 C ATOM 0 HA PRO A 91 1.162 -2.502 -5.012 1.00 0.29 H new ATOM 0 HB2 PRO A 91 3.135 -3.996 -6.785 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.888 -4.184 -5.060 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.970 -6.028 -6.744 1.00 0.36 H new ATOM 0 HG3 PRO A 91 1.028 -5.579 -5.337 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.607 -4.802 -8.217 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.590 -5.147 -6.984 1.00 0.39 H new ATOM 1437 N SER A 92 2.724 -0.776 -5.704 1.00 0.27 N ATOM 1438 CA SER A 92 3.489 0.387 -6.116 1.00 0.31 C ATOM 1439 C SER A 92 4.902 -0.048 -6.468 1.00 0.27 C ATOM 1440 O SER A 92 5.429 -0.987 -5.860 1.00 0.24 O ATOM 1441 CB SER A 92 3.512 1.446 -5.001 1.00 0.39 C ATOM 1442 OG SER A 92 4.831 1.870 -4.691 1.00 1.23 O ATOM 0 H SER A 92 2.600 -0.863 -4.695 1.00 0.27 H new ATOM 0 HA SER A 92 3.019 0.836 -6.991 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.918 2.307 -5.308 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.043 1.038 -4.105 1.00 0.39 H new ATOM 0 HG SER A 92 5.247 1.225 -4.081 1.00 1.23 H new ATOM 1448 N ASP A 93 5.496 0.639 -7.450 1.00 0.33 N ATOM 1449 CA ASP A 93 6.856 0.349 -7.917 1.00 0.36 C ATOM 1450 C ASP A 93 7.762 -0.138 -6.790 1.00 0.32 C ATOM 1451 O ASP A 93 7.820 0.464 -5.718 1.00 0.56 O ATOM 1452 CB ASP A 93 7.465 1.594 -8.563 1.00 0.45 C ATOM 1453 CG ASP A 93 6.526 2.248 -9.558 1.00 0.89 C ATOM 1454 OD1 ASP A 93 5.662 3.040 -9.128 1.00 1.63 O ATOM 1455 OD2 ASP A 93 6.657 1.966 -10.768 1.00 1.55 O ATOM 0 H ASP A 93 5.048 1.411 -7.943 1.00 0.33 H new ATOM 0 HA ASP A 93 6.781 -0.453 -8.651 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.724 2.313 -7.786 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.392 1.322 -9.068 1.00 0.45 H new ATOM 1460 N ALA A 94 8.461 -1.235 -7.046 1.00 0.33 N ATOM 1461 CA ALA A 94 9.363 -1.815 -6.063 1.00 0.28 C ATOM 1462 C ALA A 94 10.597 -0.943 -5.864 1.00 0.29 C ATOM 1463 O ALA A 94 11.387 -0.752 -6.790 1.00 0.41 O ATOM 1464 CB ALA A 94 9.774 -3.214 -6.491 1.00 0.34 C ATOM 0 H ALA A 94 8.420 -1.742 -7.930 1.00 0.33 H new ATOM 0 HA ALA A 94 8.834 -1.873 -5.112 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.449 -3.638 -5.748 1.00 0.34 H new ATOM 0 HB2 ALA A 94 8.888 -3.843 -6.578 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.280 -3.166 -7.455 1.00 0.34 H new ATOM 1470 N ILE A 95 10.763 -0.417 -4.656 1.00 0.25 N ATOM 1471 CA ILE A 95 11.907 0.432 -4.351 1.00 0.28 C ATOM 1472 C ILE A 95 12.992 -0.349 -3.617 1.00 0.26 C ATOM 1473 O ILE A 95 12.759 -0.887 -2.533 1.00 0.25 O ATOM 1474 CB ILE A 95 11.495 1.648 -3.503 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.382 2.423 -4.206 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.696 2.544 -3.247 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.991 2.003 -3.787 1.00 0.44 C ATOM 0 H ILE A 95 10.123 -0.563 -3.875 1.00 0.25 H new ATOM 0 HA ILE A 95 12.302 0.784 -5.304 1.00 0.28 H new ATOM 0 HB ILE A 95 11.119 1.298 -2.541 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.508 3.487 -4.003 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.483 2.290 -5.283 1.00 0.41 H new ATOM 0 HG21 ILE A 95 12.390 3.400 -2.646 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.462 1.982 -2.713 1.00 0.41 H new ATOM 0 HG23 ILE A 95 13.098 2.894 -4.198 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.253 2.596 -4.327 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.845 0.947 -4.016 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.870 2.162 -2.715 1.00 0.44 H new ATOM 1489 N THR A 96 14.178 -0.408 -4.218 1.00 0.29 N ATOM 1490 CA THR A 96 15.308 -1.123 -3.630 1.00 0.32 C ATOM 1491 C THR A 96 15.475 -0.770 -2.158 1.00 0.32 C ATOM 1492 O THR A 96 15.831 -1.619 -1.341 1.00 0.38 O ATOM 1493 CB THR A 96 16.594 -0.796 -4.390 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.492 -1.197 -5.744 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.823 -1.462 -3.806 1.00 0.43 C ATOM 0 H THR A 96 14.382 0.032 -5.115 1.00 0.29 H new ATOM 0 HA THR A 96 15.106 -2.191 -3.707 1.00 0.32 H new ATOM 0 HB THR A 96 16.711 0.284 -4.305 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.324 -0.978 -6.214 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.699 -1.187 -4.393 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.959 -1.134 -2.775 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.696 -2.544 -3.829 1.00 0.43 H new ATOM 1503 N CYS A 97 15.216 0.489 -1.825 1.00 0.32 N ATOM 1504 CA CYS A 97 15.338 0.947 -0.451 1.00 0.36 C ATOM 1505 C CYS A 97 16.767 0.766 0.047 1.00 0.43 C ATOM 1506 O CYS A 97 17.111 -0.271 0.612 1.00 0.64 O ATOM 1507 CB CYS A 97 14.360 0.181 0.441 1.00 0.38 C ATOM 1508 SG CYS A 97 12.621 0.524 0.087 1.00 1.10 S ATOM 0 H CYS A 97 14.921 1.207 -2.487 1.00 0.32 H new ATOM 0 HA CYS A 97 15.095 2.009 -0.411 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.540 -0.888 0.326 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.564 0.428 1.483 1.00 0.38 H new ATOM 0 HG CYS A 97 12.305 0.018 -1.068 1.00 1.10 H new ATOM 1514 N ARG A 98 17.594 1.781 -0.171 1.00 0.53 N ATOM 1515 CA ARG A 98 18.992 1.735 0.249 1.00 0.63 C ATOM 1516 C ARG A 98 19.389 3.020 0.960 1.00 0.80 C ATOM 1517 O ARG A 98 19.399 3.086 2.189 1.00 1.04 O ATOM 1518 CB ARG A 98 19.913 1.494 -0.954 1.00 0.68 C ATOM 1519 CG ARG A 98 19.354 1.998 -2.279 1.00 0.74 C ATOM 1520 CD ARG A 98 20.407 2.735 -3.090 1.00 0.92 C ATOM 1521 NE ARG A 98 21.541 1.879 -3.428 1.00 1.64 N ATOM 1522 CZ ARG A 98 21.492 0.917 -4.345 1.00 2.31 C ATOM 1523 NH1 ARG A 98 20.369 0.688 -5.012 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.566 0.182 -4.594 1.00 2.68 N ATOM 0 H ARG A 98 17.322 2.647 -0.636 1.00 0.53 H new ATOM 0 HA ARG A 98 19.103 0.905 0.947 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.870 1.981 -0.768 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.110 0.425 -1.038 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.973 1.156 -2.857 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.511 2.662 -2.089 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.956 3.117 -4.006 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.761 3.598 -2.525 1.00 0.92 H new ATOM 0 HE ARG A 98 22.420 2.027 -2.933 1.00 1.64 H new ATOM 0 HH11 ARG A 98 19.539 1.250 -4.822 1.00 3.00 H new ATOM 0 HH12 ARG A 98 20.335 -0.051 -5.715 1.00 3.00 H new ATOM 0 HH21 ARG A 98 23.431 0.354 -4.082 1.00 2.68 H new ATOM 0 HH22 ARG A 98 22.527 -0.556 -5.297 1.00 2.68 H new ATOM 1538 N ASP A 99 19.710 4.036 0.177 1.00 0.92 N ATOM 1539 CA ASP A 99 20.106 5.333 0.719 1.00 1.20 C ATOM 1540 C ASP A 99 19.014 6.386 0.499 1.00 1.03 C ATOM 1541 O ASP A 99 19.216 7.565 0.791 1.00 1.20 O ATOM 1542 CB ASP A 99 21.413 5.800 0.075 1.00 1.61 C ATOM 1543 CG ASP A 99 21.189 6.484 -1.259 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.311 7.369 -1.333 1.00 2.14 O ATOM 1545 OD2 ASP A 99 21.892 6.135 -2.230 1.00 2.08 O ATOM 0 H ASP A 99 19.705 3.991 -0.842 1.00 0.92 H new ATOM 0 HA ASP A 99 20.254 5.214 1.792 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.923 6.487 0.751 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.072 4.943 -0.065 1.00 1.61 H new ATOM 1550 N ASP A 100 17.860 5.955 -0.017 1.00 0.85 N ATOM 1551 CA ASP A 100 16.735 6.851 -0.277 1.00 0.92 C ATOM 1552 C ASP A 100 17.172 8.143 -0.938 1.00 1.22 C ATOM 1553 O ASP A 100 16.530 9.184 -0.792 1.00 1.38 O ATOM 1554 CB ASP A 100 15.989 7.159 1.013 1.00 0.87 C ATOM 1555 CG ASP A 100 14.493 6.944 0.893 1.00 1.32 C ATOM 1556 OD1 ASP A 100 13.813 7.805 0.296 1.00 2.06 O ATOM 1557 OD2 ASP A 100 13.999 5.913 1.396 1.00 2.03 O ATOM 0 H ASP A 100 17.682 4.982 -0.264 1.00 0.85 H new ATOM 0 HA ASP A 100 16.070 6.333 -0.968 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.379 6.529 1.812 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.181 8.193 1.300 1.00 0.87 H new