USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 832 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 TYR OH : rot 0:sc= -0.881 USER MOD Set 1.2: A 80 MET CE :methyl -175:sc= -0.901 (180deg=-1.12) USER MOD Set 2.1: A 40 SER OG : rot -176:sc= -2.08! USER MOD Set 2.2: A 52 ASN : amide:sc= -6.15! C(o=-8.2!,f=-15!) USER MOD Set 3.1: A 39 HIS : no HD1:sc= -7.37! C(o=-21!,f=-7.7!) USER MOD Set 3.2: A 56 ASN : amide:sc= -13.7! C(o=-21!,f=-7.7!) USER MOD Set 4.1: A 11 LYS NZ :NH3+ -160:sc= -0.116 (180deg=-0.742) USER MOD Set 4.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 153:sc= -0.0041 (180deg=-0.433) USER MOD Single : A 8 THR OG1 : rot -78:sc= 0.699 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -116:sc= 0.0659 USER MOD Single : A 14 CYS SG : rot -140:sc= 0.0837 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 3:sc= -0.676 USER MOD Single : A 18 HIS : no HE2:sc= -1.02! C(o=-1!,f=-9.1!) USER MOD Single : A 19 THR OG1 : rot -78:sc= 0.244 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.501 K(o=-0.5,f=-6.4!) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.154) USER MOD Single : A 31 ASN : amide:sc= -0.869 K(o=-0.87,f=-3.3!) USER MOD Single : A 33 HIS : no HD1:sc= -11.4! C(o=-11!,f=-12!) USER MOD Single : A 42 GLN : amide:sc= -12! C(o=-12!,f=-6.1!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 165:sc= 0 USER MOD Single : A 49 THR OG1 : rot 150:sc= -1.06 USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= -1.81 (180deg=-3.67!) USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= -0.37 (180deg=-1.88!) USER MOD Single : A 62 ASN : amide:sc= -0.39 X(o=-0.39,f=0) USER MOD Single : A 63 ASN : amide:sc= -3.22! C(o=-3.2!,f=-2.7!) USER MOD Single : A 64 MET CE :methyl -146:sc=-0.00389 (180deg=-0.537) USER MOD Single : A 65 SER OG : rot -73:sc= 0.994 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 70 ASN : amide:sc= -1.92 K(o=-1.9,f=-2.7!) USER MOD Single : A 71 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-0.34) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -146:sc= -2.14! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 96 THR OG1 : rot 150:sc= -0.841 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -141:sc=-0.00196 (180deg=-0.62) USER MOD Single : A 102 THR OG1 : rot -110:sc= -0.84 USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 13.060 -4.386 -4.212 1.00 0.00 N ATOM 33 CA PHE A -3 12.204 -4.907 -3.109 1.00 0.00 C ATOM 34 C PHE A -3 12.443 -6.406 -2.932 1.00 0.00 C ATOM 35 O PHE A -3 12.440 -7.163 -3.883 1.00 0.00 O ATOM 36 CB PHE A -3 10.732 -4.665 -3.448 1.00 0.00 C ATOM 37 CG PHE A -3 9.859 -5.570 -2.606 1.00 0.00 C ATOM 38 CD1 PHE A -3 10.049 -5.645 -1.220 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.860 -6.339 -3.217 1.00 0.00 C ATOM 40 CE1 PHE A -3 9.240 -6.486 -0.448 1.00 0.00 C ATOM 41 CE2 PHE A -3 8.053 -7.179 -2.444 1.00 0.00 C ATOM 42 CZ PHE A -3 8.241 -7.254 -1.059 1.00 0.00 C ATOM 0 H1 PHE A -3 12.894 -3.366 -4.328 1.00 0.00 H new ATOM 0 H2 PHE A -3 14.061 -4.550 -3.982 1.00 0.00 H new ATOM 0 H3 PHE A -3 12.824 -4.878 -5.097 1.00 0.00 H new ATOM 0 HA PHE A -3 12.457 -4.390 -2.184 1.00 0.00 H new ATOM 0 HB2 PHE A -3 10.474 -3.622 -3.266 1.00 0.00 H new ATOM 0 HB3 PHE A -3 10.556 -4.856 -4.507 1.00 0.00 H new ATOM 0 HD1 PHE A -3 10.820 -5.054 -0.748 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.713 -6.283 -4.286 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.386 -6.543 0.621 1.00 0.00 H new ATOM 0 HE2 PHE A -3 7.283 -7.771 -2.916 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.617 -7.903 -0.463 1.00 0.00 H new ATOM 52 N LYS A -2 12.643 -6.839 -1.716 1.00 0.00 N ATOM 53 CA LYS A -2 12.874 -8.286 -1.461 1.00 0.00 C ATOM 54 C LYS A -2 11.912 -8.757 -0.370 1.00 0.00 C ATOM 55 O LYS A -2 11.788 -8.141 0.670 1.00 0.00 O ATOM 56 CB LYS A -2 14.318 -8.502 -1.001 1.00 0.00 C ATOM 57 CG LYS A -2 14.598 -10.001 -0.883 1.00 0.00 C ATOM 58 CD LYS A -2 16.024 -10.219 -0.376 1.00 0.00 C ATOM 59 CE LYS A -2 16.357 -11.711 -0.408 1.00 0.00 C ATOM 60 NZ LYS A -2 17.835 -11.892 -0.392 1.00 0.00 N ATOM 0 H LYS A -2 12.656 -6.247 -0.885 1.00 0.00 H new ATOM 0 HA LYS A -2 12.702 -8.854 -2.375 1.00 0.00 H new ATOM 0 HB2 LYS A -2 15.009 -8.047 -1.711 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.481 -8.014 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A -2 13.884 -10.462 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS A -2 14.468 -10.483 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.730 -9.665 -0.995 1.00 0.00 H new ATOM 0 HD3 LYS A -2 16.122 -9.836 0.640 1.00 0.00 H new ATOM 0 HE2 LYS A -2 15.910 -12.213 0.450 1.00 0.00 H new ATOM 0 HE3 LYS A -2 15.934 -12.170 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 18.061 -12.907 -0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 18.251 -11.427 -1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 18.227 -11.469 0.473 1.00 0.00 H new ATOM 74 N ALA A -1 11.222 -9.839 -0.602 1.00 0.00 N ATOM 75 CA ALA A -1 10.259 -10.339 0.418 1.00 0.00 C ATOM 76 C ALA A -1 11.013 -10.761 1.682 1.00 0.00 C ATOM 77 O ALA A -1 11.693 -11.767 1.706 1.00 0.00 O ATOM 78 CB ALA A -1 9.497 -11.539 -0.147 1.00 0.00 C ATOM 0 H ALA A -1 11.283 -10.398 -1.453 1.00 0.00 H new ATOM 0 HA ALA A -1 9.556 -9.545 0.669 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.792 -11.906 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A -1 8.954 -11.236 -1.042 1.00 0.00 H new ATOM 0 HB3 ALA A -1 10.202 -12.331 -0.401 1.00 0.00 H new ATOM 84 N GLY A 1 10.890 -10.000 2.737 1.00 0.00 N ATOM 85 CA GLY A 1 11.592 -10.359 4.003 1.00 0.00 C ATOM 86 C GLY A 1 10.664 -11.211 4.870 1.00 0.00 C ATOM 87 O GLY A 1 10.463 -12.381 4.611 1.00 0.00 O ATOM 0 H GLY A 1 10.334 -9.146 2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.508 -10.908 3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.883 -9.456 4.540 1.00 0.00 H new ATOM 91 N SER A 2 10.089 -10.632 5.892 1.00 0.00 N ATOM 92 CA SER A 2 9.165 -11.407 6.771 1.00 0.00 C ATOM 93 C SER A 2 7.814 -10.693 6.837 1.00 0.00 C ATOM 94 O SER A 2 7.735 -9.521 7.148 1.00 0.00 O ATOM 95 CB SER A 2 9.760 -11.507 8.175 1.00 0.00 C ATOM 96 OG SER A 2 8.939 -12.346 8.976 1.00 0.00 O ATOM 0 H SER A 2 10.220 -9.655 6.156 1.00 0.00 H new ATOM 0 HA SER A 2 9.029 -12.409 6.365 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.772 -11.909 8.125 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.833 -10.516 8.623 1.00 0.00 H new ATOM 0 HG SER A 2 9.320 -12.413 9.877 1.00 0.00 H new ATOM 102 N ALA A 3 6.748 -11.390 6.549 1.00 0.00 N ATOM 103 CA ALA A 3 5.403 -10.752 6.595 1.00 0.00 C ATOM 104 C ALA A 3 5.019 -10.460 8.047 1.00 0.00 C ATOM 105 O ALA A 3 4.348 -9.489 8.340 1.00 0.00 O ATOM 106 CB ALA A 3 4.370 -11.695 5.975 1.00 0.00 C ATOM 0 H ALA A 3 6.752 -12.375 6.284 1.00 0.00 H new ATOM 0 HA ALA A 3 5.428 -9.818 6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.385 -11.229 6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.640 -11.900 4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.348 -12.630 6.535 1.00 0.00 H new ATOM 112 N LYS A 4 5.429 -11.299 8.957 1.00 0.00 N ATOM 113 CA LYS A 4 5.080 -11.080 10.387 1.00 0.00 C ATOM 114 C LYS A 4 5.618 -9.728 10.837 1.00 0.00 C ATOM 115 O LYS A 4 4.932 -8.943 11.462 1.00 0.00 O ATOM 116 CB LYS A 4 5.737 -12.171 11.225 1.00 0.00 C ATOM 117 CG LYS A 4 5.331 -13.534 10.680 1.00 0.00 C ATOM 118 CD LYS A 4 5.956 -14.639 11.535 1.00 0.00 C ATOM 119 CE LYS A 4 5.375 -14.585 12.949 1.00 0.00 C ATOM 120 NZ LYS A 4 5.209 -15.970 13.472 1.00 0.00 N ATOM 0 H LYS A 4 5.992 -12.129 8.771 1.00 0.00 H new ATOM 0 HA LYS A 4 3.997 -11.106 10.510 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.821 -12.064 11.198 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.433 -12.078 12.268 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.245 -13.629 10.683 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.657 -13.634 9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.760 -15.613 11.088 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.038 -14.516 11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.035 -14.015 13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.414 -14.071 12.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.814 -15.933 14.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.563 -16.500 12.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.134 -16.445 13.496 1.00 0.00 H new ATOM 134 N LYS A 5 6.850 -9.461 10.526 1.00 0.00 N ATOM 135 CA LYS A 5 7.460 -8.167 10.932 1.00 0.00 C ATOM 136 C LYS A 5 6.677 -7.008 10.311 1.00 0.00 C ATOM 137 O LYS A 5 6.409 -6.013 10.954 1.00 0.00 O ATOM 138 CB LYS A 5 8.908 -8.123 10.449 1.00 0.00 C ATOM 139 CG LYS A 5 9.717 -9.209 11.162 1.00 0.00 C ATOM 140 CD LYS A 5 11.191 -9.088 10.771 1.00 0.00 C ATOM 141 CE LYS A 5 11.980 -10.244 11.390 1.00 0.00 C ATOM 142 NZ LYS A 5 12.589 -11.065 10.305 1.00 0.00 N ATOM 0 H LYS A 5 7.466 -10.085 10.005 1.00 0.00 H new ATOM 0 HA LYS A 5 7.431 -8.075 12.018 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.947 -8.274 9.370 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.340 -7.142 10.649 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.607 -9.109 12.242 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.338 -10.195 10.893 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.293 -9.104 9.686 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.592 -8.135 11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.758 -9.857 12.048 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.322 -10.861 12.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.447 -11.531 10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.908 -11.786 9.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.837 -10.451 9.503 1.00 0.00 H new ATOM 156 N GLY A 6 6.304 -7.129 9.066 1.00 0.00 N ATOM 157 CA GLY A 6 5.537 -6.033 8.410 1.00 0.00 C ATOM 158 C GLY A 6 4.173 -5.880 9.086 1.00 0.00 C ATOM 159 O GLY A 6 3.668 -4.787 9.244 1.00 0.00 O ATOM 0 H GLY A 6 6.497 -7.938 8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.093 -5.098 8.476 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.406 -6.252 7.350 1.00 0.00 H new ATOM 163 N ALA A 7 3.571 -6.968 9.482 1.00 0.00 N ATOM 164 CA ALA A 7 2.237 -6.881 10.141 1.00 0.00 C ATOM 165 C ALA A 7 2.360 -6.084 11.439 1.00 0.00 C ATOM 166 O ALA A 7 1.500 -5.295 11.778 1.00 0.00 O ATOM 167 CB ALA A 7 1.729 -8.289 10.456 1.00 0.00 C ATOM 0 H ALA A 7 3.944 -7.912 9.378 1.00 0.00 H new ATOM 0 HA ALA A 7 1.535 -6.382 9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.753 -8.224 10.938 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.640 -8.859 9.531 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.431 -8.788 11.124 1.00 0.00 H new ATOM 173 N THR A 8 3.421 -6.280 12.167 1.00 0.00 N ATOM 174 CA THR A 8 3.598 -5.533 13.439 1.00 0.00 C ATOM 175 C THR A 8 3.734 -4.045 13.135 1.00 0.00 C ATOM 176 O THR A 8 3.105 -3.208 13.752 1.00 0.00 O ATOM 177 CB THR A 8 4.873 -6.019 14.124 1.00 0.00 C ATOM 178 OG1 THR A 8 6.001 -5.596 13.371 1.00 0.00 O ATOM 179 CG2 THR A 8 4.858 -7.545 14.205 1.00 0.00 C ATOM 0 H THR A 8 4.175 -6.927 11.935 1.00 0.00 H new ATOM 0 HA THR A 8 2.738 -5.698 14.087 1.00 0.00 H new ATOM 0 HB THR A 8 4.928 -5.603 15.130 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.114 -6.182 12.594 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.768 -7.892 14.694 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.991 -7.870 14.779 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.805 -7.962 13.199 1.00 0.00 H new ATOM 187 N LEU A 9 4.555 -3.714 12.184 1.00 0.00 N ATOM 188 CA LEU A 9 4.748 -2.281 11.822 1.00 0.00 C ATOM 189 C LEU A 9 3.425 -1.724 11.297 1.00 0.00 C ATOM 190 O LEU A 9 3.014 -0.632 11.638 1.00 0.00 O ATOM 191 CB LEU A 9 5.810 -2.188 10.718 1.00 0.00 C ATOM 192 CG LEU A 9 6.394 -0.767 10.636 1.00 0.00 C ATOM 193 CD1 LEU A 9 7.835 -0.845 10.132 1.00 0.00 C ATOM 194 CD2 LEU A 9 5.578 0.077 9.654 1.00 0.00 C ATOM 0 H LEU A 9 5.105 -4.376 11.637 1.00 0.00 H new ATOM 0 HA LEU A 9 5.070 -1.711 12.693 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.609 -2.903 10.915 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.368 -2.460 9.759 1.00 0.00 H new ATOM 0 HG LEU A 9 6.362 -0.311 11.625 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.254 0.159 10.072 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.429 -1.446 10.821 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.850 -1.304 9.144 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.998 1.082 9.602 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.610 -0.382 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.544 0.133 9.994 1.00 0.00 H new ATOM 206 N PHE A 10 2.763 -2.473 10.464 1.00 0.00 N ATOM 207 CA PHE A 10 1.464 -2.012 9.894 1.00 0.00 C ATOM 208 C PHE A 10 0.430 -1.871 11.015 1.00 0.00 C ATOM 209 O PHE A 10 -0.292 -0.893 11.091 1.00 0.00 O ATOM 210 CB PHE A 10 0.977 -3.053 8.881 1.00 0.00 C ATOM 211 CG PHE A 10 -0.233 -2.534 8.140 1.00 0.00 C ATOM 212 CD1 PHE A 10 -1.502 -2.611 8.725 1.00 0.00 C ATOM 213 CD2 PHE A 10 -0.085 -1.991 6.857 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.623 -2.142 8.029 1.00 0.00 C ATOM 215 CE2 PHE A 10 -1.204 -1.521 6.163 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.474 -1.596 6.748 1.00 0.00 C ATOM 0 H PHE A 10 3.067 -3.394 10.149 1.00 0.00 H new ATOM 0 HA PHE A 10 1.596 -1.046 9.406 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.774 -3.284 8.174 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.727 -3.982 9.394 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.617 -3.032 9.713 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.894 -1.935 6.404 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.602 -2.201 8.480 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.089 -1.100 5.175 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.338 -1.233 6.212 1.00 0.00 H new ATOM 226 N LYS A 11 0.351 -2.846 11.882 1.00 0.00 N ATOM 227 CA LYS A 11 -0.637 -2.785 12.991 1.00 0.00 C ATOM 228 C LYS A 11 -0.134 -1.837 14.079 1.00 0.00 C ATOM 229 O LYS A 11 -0.776 -1.648 15.092 1.00 0.00 O ATOM 230 CB LYS A 11 -0.824 -4.184 13.576 1.00 0.00 C ATOM 231 CG LYS A 11 -1.468 -5.094 12.530 1.00 0.00 C ATOM 232 CD LYS A 11 -1.763 -6.460 13.153 1.00 0.00 C ATOM 233 CE LYS A 11 -2.305 -7.405 12.078 1.00 0.00 C ATOM 234 NZ LYS A 11 -3.465 -6.767 11.395 1.00 0.00 N ATOM 0 H LYS A 11 0.932 -3.684 11.867 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.590 -2.417 12.610 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.138 -4.592 13.885 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.450 -4.136 14.467 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.390 -4.645 12.160 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.803 -5.209 11.674 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.856 -6.874 13.593 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.489 -6.355 13.959 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.524 -7.635 11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.609 -8.350 12.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.035 -7.498 10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.050 -6.270 12.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.120 -6.087 10.687 1.00 0.00 H new ATOM 248 N THR A 12 1.009 -1.241 13.877 1.00 0.00 N ATOM 249 CA THR A 12 1.549 -0.297 14.895 1.00 0.00 C ATOM 250 C THR A 12 1.851 1.049 14.235 1.00 0.00 C ATOM 251 O THR A 12 2.349 1.959 14.866 1.00 0.00 O ATOM 252 CB THR A 12 2.836 -0.872 15.492 1.00 0.00 C ATOM 253 OG1 THR A 12 3.816 -0.995 14.471 1.00 0.00 O ATOM 254 CG2 THR A 12 2.551 -2.248 16.097 1.00 0.00 C ATOM 0 H THR A 12 1.593 -1.367 13.050 1.00 0.00 H new ATOM 0 HA THR A 12 0.812 -0.156 15.686 1.00 0.00 H new ATOM 0 HB THR A 12 3.204 -0.205 16.271 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.037 -1.941 14.342 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.468 -2.656 16.522 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.800 -2.152 16.881 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.182 -2.918 15.320 1.00 0.00 H new ATOM 262 N ARG A 13 1.565 1.185 12.966 1.00 0.00 N ATOM 263 CA ARG A 13 1.854 2.478 12.280 1.00 0.00 C ATOM 264 C ARG A 13 0.973 2.644 11.037 1.00 0.00 C ATOM 265 O ARG A 13 1.378 3.257 10.068 1.00 0.00 O ATOM 266 CB ARG A 13 3.321 2.502 11.845 1.00 0.00 C ATOM 267 CG ARG A 13 4.229 2.582 13.073 1.00 0.00 C ATOM 268 CD ARG A 13 5.657 2.905 12.629 1.00 0.00 C ATOM 269 NE ARG A 13 5.696 4.271 12.032 1.00 0.00 N ATOM 270 CZ ARG A 13 5.526 5.320 12.790 1.00 0.00 C ATOM 271 NH1 ARG A 13 5.319 5.175 14.070 1.00 0.00 N ATOM 272 NH2 ARG A 13 5.564 6.515 12.266 1.00 0.00 N ATOM 0 H ARG A 13 1.147 0.463 12.380 1.00 0.00 H new ATOM 0 HA ARG A 13 1.646 3.291 12.976 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.553 1.606 11.269 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.502 3.356 11.193 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.867 3.349 13.757 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.210 1.637 13.615 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.335 2.849 13.481 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.998 2.169 11.901 1.00 0.00 H new ATOM 0 HE ARG A 13 5.856 4.386 11.031 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.290 4.241 14.479 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.186 5.995 14.661 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.726 6.628 11.265 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.431 7.336 12.857 1.00 0.00 H new ATOM 286 N CYS A 14 -0.212 2.102 11.032 1.00 0.00 N ATOM 287 CA CYS A 14 -1.070 2.245 9.821 1.00 0.00 C ATOM 288 C CYS A 14 -2.495 1.776 10.131 1.00 0.00 C ATOM 289 O CYS A 14 -3.176 1.220 9.293 1.00 0.00 O ATOM 290 CB CYS A 14 -0.448 1.405 8.707 1.00 0.00 C ATOM 291 SG CYS A 14 -0.913 2.065 7.082 1.00 0.00 S ATOM 0 H CYS A 14 -0.621 1.573 11.802 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.127 3.288 9.509 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.637 1.402 8.808 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.779 0.370 8.795 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.154 1.081 6.267 1.00 0.00 H new ATOM 296 N LEU A 15 -2.955 2.016 11.332 1.00 0.00 N ATOM 297 CA LEU A 15 -4.342 1.607 11.702 1.00 0.00 C ATOM 298 C LEU A 15 -5.247 2.840 11.689 1.00 0.00 C ATOM 299 O LEU A 15 -6.449 2.743 11.838 1.00 0.00 O ATOM 300 CB LEU A 15 -4.353 1.006 13.111 1.00 0.00 C ATOM 301 CG LEU A 15 -3.259 -0.059 13.231 1.00 0.00 C ATOM 302 CD1 LEU A 15 -1.926 0.599 13.608 1.00 0.00 C ATOM 303 CD2 LEU A 15 -3.653 -1.062 14.317 1.00 0.00 C ATOM 0 H LEU A 15 -2.429 2.478 12.073 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.698 0.866 10.987 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.193 1.790 13.851 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.327 0.564 13.320 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.147 -0.570 12.275 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.154 -0.166 13.691 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.644 1.317 12.838 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.032 1.114 14.563 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.878 -1.823 14.408 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.765 -0.543 15.269 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.597 -1.536 14.049 1.00 0.00 H new ATOM 315 N GLN A 16 -4.671 3.997 11.530 1.00 0.00 N ATOM 316 CA GLN A 16 -5.484 5.246 11.524 1.00 0.00 C ATOM 317 C GLN A 16 -6.071 5.483 10.134 1.00 0.00 C ATOM 318 O GLN A 16 -6.671 6.506 9.873 1.00 0.00 O ATOM 319 CB GLN A 16 -4.586 6.427 11.897 1.00 0.00 C ATOM 320 CG GLN A 16 -3.454 6.551 10.872 1.00 0.00 C ATOM 321 CD GLN A 16 -2.560 7.737 11.238 1.00 0.00 C ATOM 322 OE1 GLN A 16 -1.688 7.619 12.077 1.00 0.00 O ATOM 323 NE2 GLN A 16 -2.741 8.884 10.643 1.00 0.00 N ATOM 0 H GLN A 16 -3.668 4.133 11.403 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.297 5.149 12.244 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.170 7.347 11.923 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.173 6.283 12.895 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.867 5.633 10.850 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.868 6.689 9.873 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.472 8.984 9.939 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.151 9.681 10.882 1.00 0.00 H new ATOM 332 N CYS A 17 -5.894 4.560 9.232 1.00 0.00 N ATOM 333 CA CYS A 17 -6.438 4.766 7.863 1.00 0.00 C ATOM 334 C CYS A 17 -6.860 3.432 7.251 1.00 0.00 C ATOM 335 O CYS A 17 -7.984 2.996 7.398 1.00 0.00 O ATOM 336 CB CYS A 17 -5.354 5.405 6.996 1.00 0.00 C ATOM 337 SG CYS A 17 -5.044 7.091 7.573 1.00 0.00 S ATOM 0 H CYS A 17 -5.401 3.680 9.381 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.312 5.416 7.915 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.438 4.817 7.047 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.667 5.417 5.952 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.774 7.332 8.622 1.00 0.00 H new ATOM 342 N HIS A 18 -5.969 2.785 6.555 1.00 0.00 N ATOM 343 CA HIS A 18 -6.325 1.486 5.919 1.00 0.00 C ATOM 344 C HIS A 18 -6.902 0.533 6.964 1.00 0.00 C ATOM 345 O HIS A 18 -7.874 -0.153 6.716 1.00 0.00 O ATOM 346 CB HIS A 18 -5.074 0.863 5.300 1.00 0.00 C ATOM 347 CG HIS A 18 -4.600 1.712 4.157 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.216 1.710 2.911 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.558 2.588 4.057 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.538 2.567 2.121 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.522 3.122 2.776 1.00 0.00 N ATOM 0 H HIS A 18 -5.011 3.098 6.399 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.071 1.661 5.144 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.289 0.776 6.051 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.293 -0.146 4.950 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -6.032 1.160 2.643 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.868 2.829 4.852 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.787 2.776 1.091 1.00 0.00 H new ATOM 359 N THR A 19 -6.318 0.482 8.128 1.00 0.00 N ATOM 360 CA THR A 19 -6.841 -0.433 9.182 1.00 0.00 C ATOM 361 C THR A 19 -7.204 -1.774 8.544 1.00 0.00 C ATOM 362 O THR A 19 -8.326 -2.232 8.634 1.00 0.00 O ATOM 363 CB THR A 19 -8.087 0.180 9.825 1.00 0.00 C ATOM 364 OG1 THR A 19 -7.765 1.464 10.343 1.00 0.00 O ATOM 365 CG2 THR A 19 -8.575 -0.723 10.958 1.00 0.00 C ATOM 0 H THR A 19 -5.502 1.033 8.396 1.00 0.00 H new ATOM 0 HA THR A 19 -6.079 -0.582 9.947 1.00 0.00 H new ATOM 0 HB THR A 19 -8.874 0.276 9.077 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.293 1.364 11.196 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.462 -0.286 11.415 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.820 -1.707 10.559 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.791 -0.821 11.709 1.00 0.00 H new ATOM 373 N VAL A 20 -6.268 -2.402 7.888 1.00 0.00 N ATOM 374 CA VAL A 20 -6.566 -3.703 7.234 1.00 0.00 C ATOM 375 C VAL A 20 -7.225 -4.645 8.240 1.00 0.00 C ATOM 376 O VAL A 20 -8.239 -5.251 7.955 1.00 0.00 O ATOM 377 CB VAL A 20 -5.264 -4.326 6.737 1.00 0.00 C ATOM 378 CG1 VAL A 20 -5.514 -5.774 6.313 1.00 0.00 C ATOM 379 CG2 VAL A 20 -4.745 -3.533 5.538 1.00 0.00 C ATOM 0 H VAL A 20 -5.310 -2.069 7.778 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.242 -3.541 6.394 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.526 -4.304 7.539 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.582 -6.215 5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.885 -6.344 7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.253 -5.796 5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.815 -3.977 5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.486 -3.555 4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.563 -2.500 5.836 1.00 0.00 H new ATOM 389 N GLU A 21 -6.664 -4.761 9.416 1.00 0.00 N ATOM 390 CA GLU A 21 -7.252 -5.661 10.450 1.00 0.00 C ATOM 391 C GLU A 21 -7.773 -6.930 9.766 1.00 0.00 C ATOM 392 O GLU A 21 -8.658 -7.599 10.260 1.00 0.00 O ATOM 393 CB GLU A 21 -8.405 -4.937 11.154 1.00 0.00 C ATOM 394 CG GLU A 21 -8.730 -5.635 12.479 1.00 0.00 C ATOM 395 CD GLU A 21 -9.941 -4.964 13.127 1.00 0.00 C ATOM 396 OE1 GLU A 21 -10.472 -4.042 12.530 1.00 0.00 O ATOM 397 OE2 GLU A 21 -10.315 -5.381 14.210 1.00 0.00 O ATOM 0 H GLU A 21 -5.819 -4.268 9.705 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.495 -5.930 11.187 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.134 -3.897 11.338 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.286 -4.928 10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.936 -6.691 12.305 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.872 -5.584 13.149 1.00 0.00 H new ATOM 404 N LYS A 22 -7.229 -7.251 8.620 1.00 0.00 N ATOM 405 CA LYS A 22 -7.672 -8.464 7.865 1.00 0.00 C ATOM 406 C LYS A 22 -9.153 -8.345 7.484 1.00 0.00 C ATOM 407 O LYS A 22 -9.602 -8.939 6.524 1.00 0.00 O ATOM 408 CB LYS A 22 -7.457 -9.714 8.721 1.00 0.00 C ATOM 409 CG LYS A 22 -5.983 -9.806 9.111 1.00 0.00 C ATOM 410 CD LYS A 22 -5.737 -11.110 9.865 1.00 0.00 C ATOM 411 CE LYS A 22 -4.313 -11.110 10.422 1.00 0.00 C ATOM 412 NZ LYS A 22 -3.781 -12.503 10.432 1.00 0.00 N ATOM 0 H LYS A 22 -6.486 -6.717 8.169 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.081 -8.544 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.080 -9.670 9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.756 -10.604 8.168 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.357 -9.765 8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.707 -8.955 9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.457 -11.216 10.676 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.879 -11.961 9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.674 -10.470 9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.307 -10.700 11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.813 -12.502 10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.386 -13.101 11.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.773 -12.878 9.462 1.00 0.00 H new ATOM 426 N GLY A 23 -9.916 -7.584 8.220 1.00 0.00 N ATOM 427 CA GLY A 23 -11.361 -7.432 7.887 1.00 0.00 C ATOM 428 C GLY A 23 -11.953 -6.273 8.694 1.00 0.00 C ATOM 429 O GLY A 23 -12.558 -6.471 9.729 1.00 0.00 O ATOM 0 H GLY A 23 -9.601 -7.061 9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.481 -7.245 6.820 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.896 -8.355 8.111 1.00 0.00 H new ATOM 433 N GLY A 24 -11.781 -5.064 8.232 1.00 0.00 N ATOM 434 CA GLY A 24 -12.332 -3.896 8.978 1.00 0.00 C ATOM 435 C GLY A 24 -12.936 -2.887 7.998 1.00 0.00 C ATOM 436 O GLY A 24 -12.726 -2.963 6.803 1.00 0.00 O ATOM 0 H GLY A 24 -11.284 -4.835 7.372 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.093 -4.230 9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.543 -3.421 9.561 1.00 0.00 H new ATOM 440 N PRO A 25 -13.679 -1.944 8.511 1.00 0.00 N ATOM 441 CA PRO A 25 -14.336 -0.881 7.691 1.00 0.00 C ATOM 442 C PRO A 25 -13.315 -0.009 6.954 1.00 0.00 C ATOM 443 O PRO A 25 -12.125 -0.103 7.185 1.00 0.00 O ATOM 444 CB PRO A 25 -15.118 -0.045 8.710 1.00 0.00 C ATOM 445 CG PRO A 25 -14.530 -0.370 10.043 1.00 0.00 C ATOM 446 CD PRO A 25 -13.974 -1.788 9.941 1.00 0.00 C ATOM 0 HA PRO A 25 -14.969 -1.309 6.914 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.029 1.019 8.493 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.180 -0.288 8.682 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.742 0.337 10.302 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.286 -0.306 10.826 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.079 -1.912 10.550 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.698 -2.528 10.284 1.00 0.00 H new ATOM 454 N HIS A 26 -13.765 0.837 6.066 1.00 0.00 N ATOM 455 CA HIS A 26 -12.808 1.703 5.320 1.00 0.00 C ATOM 456 C HIS A 26 -12.778 3.100 5.943 1.00 0.00 C ATOM 457 O HIS A 26 -13.801 3.669 6.267 1.00 0.00 O ATOM 458 CB HIS A 26 -13.250 1.832 3.860 1.00 0.00 C ATOM 459 CG HIS A 26 -13.394 0.470 3.240 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.322 -0.200 2.668 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.480 -0.356 3.083 1.00 0.00 C ATOM 462 CE1 HIS A 26 -12.783 -1.374 2.195 1.00 0.00 C ATOM 463 NE2 HIS A 26 -14.089 -1.515 2.424 1.00 0.00 N ATOM 0 H HIS A 26 -14.748 0.965 5.826 1.00 0.00 H new ATOM 0 HA HIS A 26 -11.818 1.250 5.370 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.198 2.367 3.805 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.520 2.419 3.302 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.483 -0.138 3.420 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.171 -2.109 1.693 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.678 -2.308 2.169 1.00 0.00 H new ATOM 472 N LYS A 27 -11.609 3.660 6.094 1.00 0.00 N ATOM 473 CA LYS A 27 -11.498 5.027 6.673 1.00 0.00 C ATOM 474 C LYS A 27 -11.114 5.991 5.550 1.00 0.00 C ATOM 475 O LYS A 27 -11.587 5.872 4.437 1.00 0.00 O ATOM 476 CB LYS A 27 -10.420 5.040 7.759 1.00 0.00 C ATOM 477 CG LYS A 27 -10.816 4.081 8.883 1.00 0.00 C ATOM 478 CD LYS A 27 -9.799 4.179 10.022 1.00 0.00 C ATOM 479 CE LYS A 27 -10.121 3.129 11.086 1.00 0.00 C ATOM 480 NZ LYS A 27 -11.386 3.500 11.781 1.00 0.00 N ATOM 0 H LYS A 27 -10.722 3.226 5.839 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.446 5.328 7.118 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.460 4.745 7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.298 6.049 8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.813 4.326 9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.857 3.059 8.506 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.791 4.025 9.638 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.824 5.176 10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.221 2.147 10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.304 3.062 11.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.493 2.922 12.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.356 4.506 12.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.193 3.331 11.147 1.00 0.00 H new ATOM 494 N VAL A 28 -10.254 6.934 5.814 1.00 0.00 N ATOM 495 CA VAL A 28 -9.848 7.876 4.736 1.00 0.00 C ATOM 496 C VAL A 28 -9.251 7.066 3.586 1.00 0.00 C ATOM 497 O VAL A 28 -9.445 7.374 2.426 1.00 0.00 O ATOM 498 CB VAL A 28 -8.800 8.856 5.268 1.00 0.00 C ATOM 499 CG1 VAL A 28 -8.257 9.698 4.114 1.00 0.00 C ATOM 500 CG2 VAL A 28 -9.442 9.775 6.308 1.00 0.00 C ATOM 0 H VAL A 28 -9.818 7.092 6.722 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.714 8.440 4.391 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.984 8.299 5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.511 10.396 4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.799 9.045 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.074 10.254 3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.696 10.473 6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.258 10.331 5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.830 9.177 7.132 1.00 0.00 H new ATOM 510 N GLY A 29 -8.529 6.025 3.906 1.00 0.00 N ATOM 511 CA GLY A 29 -7.917 5.178 2.843 1.00 0.00 C ATOM 512 C GLY A 29 -8.622 3.820 2.811 1.00 0.00 C ATOM 513 O GLY A 29 -9.271 3.426 3.760 1.00 0.00 O ATOM 0 H GLY A 29 -8.337 5.725 4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.005 5.670 1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.853 5.044 3.036 1.00 0.00 H new ATOM 517 N PRO A 30 -8.497 3.115 1.721 1.00 0.00 N ATOM 518 CA PRO A 30 -9.131 1.776 1.541 1.00 0.00 C ATOM 519 C PRO A 30 -8.618 0.741 2.546 1.00 0.00 C ATOM 520 O PRO A 30 -7.519 0.842 3.052 1.00 0.00 O ATOM 521 CB PRO A 30 -8.750 1.364 0.115 1.00 0.00 C ATOM 522 CG PRO A 30 -7.589 2.227 -0.262 1.00 0.00 C ATOM 523 CD PRO A 30 -7.729 3.520 0.537 1.00 0.00 C ATOM 0 HA PRO A 30 -10.207 1.827 1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.483 0.308 0.071 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.585 1.510 -0.570 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.646 1.730 -0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.590 2.431 -1.333 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.756 3.929 0.811 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.249 4.289 -0.034 1.00 0.00 H new ATOM 531 N ASN A 31 -9.405 -0.259 2.833 1.00 0.00 N ATOM 532 CA ASN A 31 -8.965 -1.306 3.796 1.00 0.00 C ATOM 533 C ASN A 31 -7.608 -1.855 3.350 1.00 0.00 C ATOM 534 O ASN A 31 -6.884 -2.451 4.120 1.00 0.00 O ATOM 535 CB ASN A 31 -9.991 -2.440 3.827 1.00 0.00 C ATOM 536 CG ASN A 31 -9.761 -3.307 5.067 1.00 0.00 C ATOM 537 OD1 ASN A 31 -9.376 -2.810 6.105 1.00 0.00 O ATOM 538 ND2 ASN A 31 -9.984 -4.591 5.001 1.00 0.00 N ATOM 0 H ASN A 31 -10.336 -0.396 2.441 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.879 -0.875 4.793 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.001 -2.030 3.840 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.905 -3.047 2.926 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.835 -5.177 5.822 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.308 -5.008 4.128 1.00 0.00 H new ATOM 545 N LEU A 32 -7.272 -1.662 2.102 1.00 0.00 N ATOM 546 CA LEU A 32 -5.971 -2.169 1.573 1.00 0.00 C ATOM 547 C LEU A 32 -5.965 -3.693 1.614 1.00 0.00 C ATOM 548 O LEU A 32 -5.047 -4.310 2.120 1.00 0.00 O ATOM 549 CB LEU A 32 -4.807 -1.623 2.413 1.00 0.00 C ATOM 550 CG LEU A 32 -3.481 -1.846 1.677 1.00 0.00 C ATOM 551 CD1 LEU A 32 -3.483 -1.054 0.374 1.00 0.00 C ATOM 552 CD2 LEU A 32 -2.326 -1.347 2.544 1.00 0.00 C ATOM 0 H LEU A 32 -7.849 -1.170 1.420 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.850 -1.831 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.952 -0.560 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.783 -2.120 3.383 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.363 -2.910 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.540 -1.212 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.308 -1.390 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.602 0.007 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.383 -1.506 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.455 -0.283 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.315 -1.895 3.486 1.00 0.00 H new ATOM 564 N HIS A 33 -6.985 -4.303 1.081 1.00 0.00 N ATOM 565 CA HIS A 33 -7.055 -5.787 1.077 1.00 0.00 C ATOM 566 C HIS A 33 -7.437 -6.270 -0.323 1.00 0.00 C ATOM 567 O HIS A 33 -7.704 -7.436 -0.537 1.00 0.00 O ATOM 568 CB HIS A 33 -8.110 -6.244 2.085 1.00 0.00 C ATOM 569 CG HIS A 33 -7.517 -7.284 2.993 1.00 0.00 C ATOM 570 ND1 HIS A 33 -6.550 -6.976 3.941 1.00 0.00 N ATOM 571 CD2 HIS A 33 -7.740 -8.632 3.107 1.00 0.00 C ATOM 572 CE1 HIS A 33 -6.230 -8.119 4.578 1.00 0.00 C ATOM 573 NE2 HIS A 33 -6.928 -9.154 4.108 1.00 0.00 N ATOM 0 H HIS A 33 -7.778 -3.833 0.645 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.086 -6.204 1.352 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.463 -5.394 2.669 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.975 -6.652 1.562 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.439 -9.201 2.511 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.499 -8.189 5.370 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -6.877 -10.124 4.418 1.00 0.00 H new ATOM 582 N GLY A 34 -7.472 -5.380 -1.281 1.00 0.00 N ATOM 583 CA GLY A 34 -7.844 -5.793 -2.664 1.00 0.00 C ATOM 584 C GLY A 34 -7.104 -4.936 -3.699 1.00 0.00 C ATOM 585 O GLY A 34 -7.392 -4.996 -4.878 1.00 0.00 O ATOM 0 H GLY A 34 -7.260 -4.389 -1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.600 -6.845 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.920 -5.692 -2.803 1.00 0.00 H new ATOM 589 N ILE A 35 -6.152 -4.142 -3.281 1.00 0.00 N ATOM 590 CA ILE A 35 -5.410 -3.302 -4.269 1.00 0.00 C ATOM 591 C ILE A 35 -4.746 -4.208 -5.308 1.00 0.00 C ATOM 592 O ILE A 35 -4.513 -3.810 -6.432 1.00 0.00 O ATOM 593 CB ILE A 35 -4.345 -2.444 -3.549 1.00 0.00 C ATOM 594 CG1 ILE A 35 -5.010 -1.153 -3.025 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.200 -2.100 -4.518 1.00 0.00 C ATOM 596 CD1 ILE A 35 -3.951 -0.149 -2.561 1.00 0.00 C ATOM 0 H ILE A 35 -5.858 -4.039 -2.310 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.110 -2.633 -4.770 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.929 -3.003 -2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.621 -0.708 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.679 -1.392 -2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.455 -1.495 -4.001 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.737 -3.020 -4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.596 -1.541 -5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.441 0.754 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.358 -0.590 -1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.299 0.105 -3.397 1.00 0.00 H new ATOM 608 N PHE A 36 -4.434 -5.419 -4.945 1.00 0.00 N ATOM 609 CA PHE A 36 -3.775 -6.340 -5.916 1.00 0.00 C ATOM 610 C PHE A 36 -4.826 -7.247 -6.559 1.00 0.00 C ATOM 611 O PHE A 36 -5.627 -7.861 -5.883 1.00 0.00 O ATOM 612 CB PHE A 36 -2.750 -7.197 -5.171 1.00 0.00 C ATOM 613 CG PHE A 36 -1.732 -6.300 -4.513 1.00 0.00 C ATOM 614 CD1 PHE A 36 -2.007 -5.725 -3.268 1.00 0.00 C ATOM 615 CD2 PHE A 36 -0.511 -6.044 -5.147 1.00 0.00 C ATOM 616 CE1 PHE A 36 -1.063 -4.893 -2.655 1.00 0.00 C ATOM 617 CE2 PHE A 36 0.435 -5.212 -4.536 1.00 0.00 C ATOM 618 CZ PHE A 36 0.158 -4.636 -3.290 1.00 0.00 C ATOM 0 H PHE A 36 -4.606 -5.813 -4.020 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.278 -5.760 -6.693 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.249 -7.811 -4.421 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.257 -7.879 -5.864 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.949 -5.923 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.298 -6.488 -6.108 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.276 -4.450 -1.693 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.377 -5.015 -5.025 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.887 -3.993 -2.819 1.00 0.00 H new ATOM 628 N GLY A 37 -4.827 -7.342 -7.864 1.00 0.00 N ATOM 629 CA GLY A 37 -5.825 -8.214 -8.545 1.00 0.00 C ATOM 630 C GLY A 37 -6.124 -7.673 -9.948 1.00 0.00 C ATOM 631 O GLY A 37 -5.576 -8.132 -10.930 1.00 0.00 O ATOM 0 H GLY A 37 -4.181 -6.854 -8.484 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.444 -9.233 -8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.743 -8.256 -7.959 1.00 0.00 H new ATOM 635 N ARG A 38 -7.000 -6.708 -10.045 1.00 0.00 N ATOM 636 CA ARG A 38 -7.352 -6.138 -11.379 1.00 0.00 C ATOM 637 C ARG A 38 -6.829 -4.706 -11.485 1.00 0.00 C ATOM 638 O ARG A 38 -6.074 -4.246 -10.652 1.00 0.00 O ATOM 639 CB ARG A 38 -8.874 -6.128 -11.540 1.00 0.00 C ATOM 640 CG ARG A 38 -9.419 -7.556 -11.444 1.00 0.00 C ATOM 641 CD ARG A 38 -9.186 -8.289 -12.769 1.00 0.00 C ATOM 642 NE ARG A 38 -9.887 -9.604 -12.738 1.00 0.00 N ATOM 643 CZ ARG A 38 -9.661 -10.484 -13.673 1.00 0.00 C ATOM 644 NH1 ARG A 38 -8.826 -10.212 -14.638 1.00 0.00 N ATOM 645 NH2 ARG A 38 -10.273 -11.637 -13.646 1.00 0.00 N ATOM 0 H ARG A 38 -7.489 -6.288 -9.254 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.899 -6.748 -12.160 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.326 -5.505 -10.768 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.144 -5.691 -12.501 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.926 -8.089 -10.631 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.484 -7.534 -11.212 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.555 -7.687 -13.600 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.119 -8.437 -12.932 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.543 -9.815 -11.986 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.350 -9.310 -14.661 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.650 -10.901 -15.369 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.928 -11.849 -12.893 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.096 -12.325 -14.378 1.00 0.00 H new ATOM 659 N HIS A 39 -7.228 -4.000 -12.511 1.00 0.00 N ATOM 660 CA HIS A 39 -6.762 -2.596 -12.680 1.00 0.00 C ATOM 661 C HIS A 39 -6.807 -1.900 -11.326 1.00 0.00 C ATOM 662 O HIS A 39 -7.403 -2.392 -10.390 1.00 0.00 O ATOM 663 CB HIS A 39 -7.679 -1.868 -13.666 1.00 0.00 C ATOM 664 CG HIS A 39 -7.746 -2.647 -14.951 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.659 -2.347 -15.952 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.021 -3.719 -15.412 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.463 -3.222 -16.957 1.00 0.00 C ATOM 668 NE2 HIS A 39 -7.478 -4.076 -16.676 1.00 0.00 N ATOM 0 H HIS A 39 -7.857 -4.338 -13.239 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.743 -2.585 -13.068 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.677 -1.760 -13.241 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.303 -0.863 -13.856 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.221 -4.208 -14.876 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.032 -3.231 -17.875 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.132 -4.833 -17.265 1.00 0.00 H new ATOM 677 N SER A 40 -6.172 -0.771 -11.200 1.00 0.00 N ATOM 678 CA SER A 40 -6.173 -0.077 -9.888 1.00 0.00 C ATOM 679 C SER A 40 -7.603 0.240 -9.455 1.00 0.00 C ATOM 680 O SER A 40 -8.518 0.268 -10.254 1.00 0.00 O ATOM 681 CB SER A 40 -5.373 1.217 -9.994 1.00 0.00 C ATOM 682 OG SER A 40 -6.181 2.224 -10.588 1.00 0.00 O ATOM 0 H SER A 40 -5.656 -0.302 -11.944 1.00 0.00 H new ATOM 0 HA SER A 40 -5.717 -0.730 -9.144 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.044 1.536 -9.005 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.476 1.055 -10.592 1.00 0.00 H new ATOM 0 HG SER A 40 -5.648 3.036 -10.720 1.00 0.00 H new ATOM 688 N GLY A 41 -7.795 0.477 -8.185 1.00 0.00 N ATOM 689 CA GLY A 41 -9.159 0.790 -7.677 1.00 0.00 C ATOM 690 C GLY A 41 -10.030 -0.465 -7.742 1.00 0.00 C ATOM 691 O GLY A 41 -10.634 -0.758 -8.755 1.00 0.00 O ATOM 0 H GLY A 41 -7.062 0.467 -7.476 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.102 1.153 -6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.606 1.587 -8.272 1.00 0.00 H new ATOM 695 N GLN A 42 -10.094 -1.217 -6.671 1.00 0.00 N ATOM 696 CA GLN A 42 -10.921 -2.464 -6.683 1.00 0.00 C ATOM 697 C GLN A 42 -11.732 -2.590 -5.388 1.00 0.00 C ATOM 698 O GLN A 42 -12.415 -3.572 -5.174 1.00 0.00 O ATOM 699 CB GLN A 42 -10.002 -3.684 -6.810 1.00 0.00 C ATOM 700 CG GLN A 42 -9.205 -3.600 -8.113 1.00 0.00 C ATOM 701 CD GLN A 42 -7.726 -3.384 -7.789 1.00 0.00 C ATOM 702 OE1 GLN A 42 -7.070 -4.263 -7.267 1.00 0.00 O ATOM 703 NE2 GLN A 42 -7.173 -2.238 -8.074 1.00 0.00 N ATOM 0 H GLN A 42 -9.612 -1.023 -5.793 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.606 -2.415 -7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.322 -3.728 -5.959 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.593 -4.599 -6.793 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.332 -4.516 -8.690 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.578 -2.781 -8.728 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.725 -1.501 -8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.189 -2.079 -7.859 1.00 0.00 H new ATOM 712 N ALA A 43 -11.661 -1.623 -4.515 1.00 0.00 N ATOM 713 CA ALA A 43 -12.431 -1.726 -3.240 1.00 0.00 C ATOM 714 C ALA A 43 -13.927 -1.553 -3.518 1.00 0.00 C ATOM 715 O ALA A 43 -14.357 -0.557 -4.065 1.00 0.00 O ATOM 716 CB ALA A 43 -11.962 -0.639 -2.270 1.00 0.00 C ATOM 0 H ALA A 43 -11.109 -0.773 -4.626 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.261 -2.708 -2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.524 -0.715 -1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.900 -0.769 -2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.127 0.342 -2.715 1.00 0.00 H new ATOM 722 N GLU A 44 -14.723 -2.520 -3.142 1.00 0.00 N ATOM 723 CA GLU A 44 -16.192 -2.417 -3.380 1.00 0.00 C ATOM 724 C GLU A 44 -16.778 -1.300 -2.512 1.00 0.00 C ATOM 725 O GLU A 44 -17.680 -0.594 -2.920 1.00 0.00 O ATOM 726 CB GLU A 44 -16.861 -3.745 -3.018 1.00 0.00 C ATOM 727 CG GLU A 44 -16.375 -4.841 -3.968 1.00 0.00 C ATOM 728 CD GLU A 44 -17.096 -6.152 -3.650 1.00 0.00 C ATOM 729 OE1 GLU A 44 -17.779 -6.198 -2.640 1.00 0.00 O ATOM 730 OE2 GLU A 44 -16.952 -7.086 -4.421 1.00 0.00 O ATOM 0 H GLU A 44 -14.418 -3.377 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.372 -2.191 -4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.627 -4.013 -1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.945 -3.647 -3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.565 -4.551 -5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.298 -4.973 -3.867 1.00 0.00 H new ATOM 737 N GLY A 45 -16.274 -1.135 -1.320 1.00 0.00 N ATOM 738 CA GLY A 45 -16.802 -0.063 -0.428 1.00 0.00 C ATOM 739 C GLY A 45 -16.033 1.231 -0.688 1.00 0.00 C ATOM 740 O GLY A 45 -16.554 2.174 -1.248 1.00 0.00 O ATOM 0 H GLY A 45 -15.519 -1.696 -0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.866 0.089 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.698 -0.358 0.616 1.00 0.00 H new ATOM 744 N TYR A 46 -14.791 1.277 -0.296 1.00 0.00 N ATOM 745 CA TYR A 46 -13.981 2.505 -0.531 1.00 0.00 C ATOM 746 C TYR A 46 -13.940 2.802 -2.031 1.00 0.00 C ATOM 747 O TYR A 46 -13.963 1.905 -2.849 1.00 0.00 O ATOM 748 CB TYR A 46 -12.560 2.282 -0.014 1.00 0.00 C ATOM 749 CG TYR A 46 -11.702 3.462 -0.388 1.00 0.00 C ATOM 750 CD1 TYR A 46 -11.638 4.586 0.444 1.00 0.00 C ATOM 751 CD2 TYR A 46 -10.971 3.427 -1.577 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.840 5.676 0.081 1.00 0.00 C ATOM 753 CE2 TYR A 46 -10.173 4.513 -1.942 1.00 0.00 C ATOM 754 CZ TYR A 46 -10.106 5.641 -1.114 1.00 0.00 C ATOM 755 OH TYR A 46 -9.319 6.717 -1.472 1.00 0.00 O ATOM 0 H TYR A 46 -14.301 0.518 0.177 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.429 3.348 -0.005 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.571 2.154 1.068 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -12.146 1.368 -0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -12.203 4.612 1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.023 2.558 -2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.789 6.545 0.721 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.608 4.483 -2.862 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.877 6.529 -2.327 1.00 0.00 H new ATOM 765 N SER A 47 -13.889 4.056 -2.396 1.00 0.00 N ATOM 766 CA SER A 47 -13.855 4.416 -3.843 1.00 0.00 C ATOM 767 C SER A 47 -12.584 5.212 -4.149 1.00 0.00 C ATOM 768 O SER A 47 -12.091 5.957 -3.325 1.00 0.00 O ATOM 769 CB SER A 47 -15.080 5.265 -4.184 1.00 0.00 C ATOM 770 OG SER A 47 -15.118 5.493 -5.588 1.00 0.00 O ATOM 0 H SER A 47 -13.869 4.847 -1.753 1.00 0.00 H new ATOM 0 HA SER A 47 -13.862 3.505 -4.441 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.989 4.758 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 47 -15.038 6.215 -3.651 1.00 0.00 H new ATOM 0 HG SER A 47 -15.903 6.036 -5.810 1.00 0.00 H new ATOM 776 N TYR A 48 -12.055 5.063 -5.334 1.00 0.00 N ATOM 777 CA TYR A 48 -10.821 5.811 -5.706 1.00 0.00 C ATOM 778 C TYR A 48 -11.192 6.917 -6.690 1.00 0.00 C ATOM 779 O TYR A 48 -12.210 6.854 -7.351 1.00 0.00 O ATOM 780 CB TYR A 48 -9.823 4.870 -6.384 1.00 0.00 C ATOM 781 CG TYR A 48 -9.483 3.728 -5.460 1.00 0.00 C ATOM 782 CD1 TYR A 48 -10.417 2.711 -5.232 1.00 0.00 C ATOM 783 CD2 TYR A 48 -8.230 3.683 -4.834 1.00 0.00 C ATOM 784 CE1 TYR A 48 -10.098 1.648 -4.379 1.00 0.00 C ATOM 785 CE2 TYR A 48 -7.913 2.619 -3.981 1.00 0.00 C ATOM 786 CZ TYR A 48 -8.847 1.601 -3.753 1.00 0.00 C ATOM 787 OH TYR A 48 -8.533 0.554 -2.912 1.00 0.00 O ATOM 0 H TYR A 48 -12.426 4.453 -6.062 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.372 6.232 -4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.246 4.485 -7.312 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.918 5.416 -6.649 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.383 2.746 -5.714 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.510 4.468 -5.009 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.818 0.863 -4.204 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.947 2.583 -3.499 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.566 0.541 -2.753 1.00 0.00 H new ATOM 797 N THR A 49 -10.377 7.926 -6.803 1.00 0.00 N ATOM 798 CA THR A 49 -10.696 9.019 -7.757 1.00 0.00 C ATOM 799 C THR A 49 -10.564 8.472 -9.176 1.00 0.00 C ATOM 800 O THR A 49 -9.896 7.483 -9.407 1.00 0.00 O ATOM 801 CB THR A 49 -9.712 10.180 -7.579 1.00 0.00 C ATOM 802 OG1 THR A 49 -8.793 10.183 -8.662 1.00 0.00 O ATOM 803 CG2 THR A 49 -8.944 10.014 -6.268 1.00 0.00 C ATOM 0 H THR A 49 -9.509 8.040 -6.279 1.00 0.00 H new ATOM 0 HA THR A 49 -11.708 9.380 -7.573 1.00 0.00 H new ATOM 0 HB THR A 49 -10.264 11.120 -7.556 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.501 11.101 -8.841 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.246 10.843 -6.148 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.646 10.006 -5.434 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.392 9.074 -6.286 1.00 0.00 H new ATOM 811 N ASP A 50 -11.186 9.100 -10.130 1.00 0.00 N ATOM 812 CA ASP A 50 -11.078 8.601 -11.526 1.00 0.00 C ATOM 813 C ASP A 50 -9.599 8.482 -11.896 1.00 0.00 C ATOM 814 O ASP A 50 -9.201 7.600 -12.626 1.00 0.00 O ATOM 815 CB ASP A 50 -11.770 9.582 -12.475 1.00 0.00 C ATOM 816 CG ASP A 50 -13.279 9.554 -12.227 1.00 0.00 C ATOM 817 OD1 ASP A 50 -13.726 8.665 -11.521 1.00 0.00 O ATOM 818 OD2 ASP A 50 -13.962 10.421 -12.745 1.00 0.00 O ATOM 0 H ASP A 50 -11.762 9.933 -10.006 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.558 7.626 -11.610 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.384 10.589 -12.319 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.556 9.315 -13.510 1.00 0.00 H new ATOM 823 N ALA A 51 -8.786 9.370 -11.397 1.00 0.00 N ATOM 824 CA ALA A 51 -7.330 9.325 -11.717 1.00 0.00 C ATOM 825 C ALA A 51 -6.803 7.889 -11.624 1.00 0.00 C ATOM 826 O ALA A 51 -6.332 7.332 -12.593 1.00 0.00 O ATOM 827 CB ALA A 51 -6.571 10.205 -10.725 1.00 0.00 C ATOM 0 H ALA A 51 -9.068 10.130 -10.778 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.181 9.689 -12.734 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.506 10.176 -10.954 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.931 11.231 -10.800 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.735 9.836 -9.712 1.00 0.00 H new ATOM 833 N ASN A 52 -6.870 7.287 -10.470 1.00 0.00 N ATOM 834 CA ASN A 52 -6.357 5.892 -10.332 1.00 0.00 C ATOM 835 C ASN A 52 -7.011 4.993 -11.386 1.00 0.00 C ATOM 836 O ASN A 52 -6.373 4.138 -11.968 1.00 0.00 O ATOM 837 CB ASN A 52 -6.684 5.367 -8.933 1.00 0.00 C ATOM 838 CG ASN A 52 -5.991 4.020 -8.723 1.00 0.00 C ATOM 839 OD1 ASN A 52 -4.935 3.780 -9.274 1.00 0.00 O ATOM 840 ND2 ASN A 52 -6.542 3.129 -7.943 1.00 0.00 N ATOM 0 H ASN A 52 -7.255 7.696 -9.619 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.277 5.887 -10.479 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.354 6.080 -8.178 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.762 5.256 -8.817 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.086 2.229 -7.795 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.429 3.333 -7.482 1.00 0.00 H new ATOM 847 N ILE A 53 -8.280 5.172 -11.628 1.00 0.00 N ATOM 848 CA ILE A 53 -8.981 4.322 -12.637 1.00 0.00 C ATOM 849 C ILE A 53 -8.530 4.675 -14.063 1.00 0.00 C ATOM 850 O ILE A 53 -8.337 3.806 -14.891 1.00 0.00 O ATOM 851 CB ILE A 53 -10.490 4.541 -12.519 1.00 0.00 C ATOM 852 CG1 ILE A 53 -10.945 4.180 -11.102 1.00 0.00 C ATOM 853 CG2 ILE A 53 -11.218 3.651 -13.529 1.00 0.00 C ATOM 854 CD1 ILE A 53 -12.424 4.533 -10.935 1.00 0.00 C ATOM 0 H ILE A 53 -8.865 5.871 -11.171 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.733 3.279 -12.443 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.723 5.586 -12.724 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.791 3.116 -10.919 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.346 4.719 -10.368 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.293 3.808 -13.444 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.893 3.905 -14.538 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.987 2.605 -13.326 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.748 4.276 -9.926 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.564 5.601 -11.100 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.016 3.974 -11.660 1.00 0.00 H new ATOM 866 N LYS A 54 -8.380 5.937 -14.367 1.00 0.00 N ATOM 867 CA LYS A 54 -7.965 6.330 -15.745 1.00 0.00 C ATOM 868 C LYS A 54 -6.616 5.705 -16.099 1.00 0.00 C ATOM 869 O LYS A 54 -6.412 5.236 -17.201 1.00 0.00 O ATOM 870 CB LYS A 54 -7.857 7.853 -15.826 1.00 0.00 C ATOM 871 CG LYS A 54 -9.251 8.477 -15.727 1.00 0.00 C ATOM 872 CD LYS A 54 -9.146 9.991 -15.916 1.00 0.00 C ATOM 873 CE LYS A 54 -10.526 10.628 -15.735 1.00 0.00 C ATOM 874 NZ LYS A 54 -10.550 11.407 -14.465 1.00 0.00 N ATOM 0 H LYS A 54 -8.527 6.712 -13.721 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.713 5.972 -16.453 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.224 8.225 -15.021 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.384 8.144 -16.764 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.907 8.050 -16.485 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.695 8.251 -14.757 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.444 10.410 -15.195 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.757 10.218 -16.909 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.751 11.280 -16.579 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.295 9.856 -15.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.526 11.465 -14.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.953 10.934 -13.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.187 12.366 -14.639 1.00 0.00 H new ATOM 888 N LYS A 55 -5.695 5.694 -15.182 1.00 0.00 N ATOM 889 CA LYS A 55 -4.364 5.097 -15.480 1.00 0.00 C ATOM 890 C LYS A 55 -4.541 3.621 -15.838 1.00 0.00 C ATOM 891 O LYS A 55 -3.807 3.073 -16.635 1.00 0.00 O ATOM 892 CB LYS A 55 -3.455 5.227 -14.253 1.00 0.00 C ATOM 893 CG LYS A 55 -3.349 6.699 -13.830 1.00 0.00 C ATOM 894 CD LYS A 55 -2.645 7.514 -14.919 1.00 0.00 C ATOM 895 CE LYS A 55 -2.223 8.869 -14.346 1.00 0.00 C ATOM 896 NZ LYS A 55 -3.036 9.168 -13.133 1.00 0.00 N ATOM 0 H LYS A 55 -5.803 6.071 -14.240 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.908 5.622 -16.319 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.853 4.632 -13.431 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.464 4.834 -14.481 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.344 7.105 -13.648 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.797 6.777 -12.893 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.772 6.974 -15.286 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.312 7.658 -15.769 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.163 8.855 -14.093 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.362 9.651 -15.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.954 10.178 -12.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.033 8.935 -13.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.689 8.600 -12.334 1.00 0.00 H new ATOM 910 N ASN A 56 -5.508 2.971 -15.249 1.00 0.00 N ATOM 911 CA ASN A 56 -5.727 1.530 -15.554 1.00 0.00 C ATOM 912 C ASN A 56 -4.427 0.766 -15.330 1.00 0.00 C ATOM 913 O ASN A 56 -4.026 -0.047 -16.140 1.00 0.00 O ATOM 914 CB ASN A 56 -6.170 1.359 -17.007 1.00 0.00 C ATOM 915 CG ASN A 56 -6.570 -0.101 -17.249 1.00 0.00 C ATOM 916 OD1 ASN A 56 -7.207 -0.410 -18.236 1.00 0.00 O ATOM 917 ND2 ASN A 56 -6.221 -1.021 -16.384 1.00 0.00 N ATOM 0 H ASN A 56 -6.154 3.375 -14.571 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.505 1.141 -14.898 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.011 2.018 -17.222 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.362 1.643 -17.681 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.484 -1.994 -16.540 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.686 -0.764 -15.554 1.00 0.00 H new ATOM 924 N VAL A 57 -3.769 1.012 -14.234 1.00 0.00 N ATOM 925 CA VAL A 57 -2.501 0.295 -13.952 1.00 0.00 C ATOM 926 C VAL A 57 -2.767 -0.752 -12.880 1.00 0.00 C ATOM 927 O VAL A 57 -3.473 -0.508 -11.924 1.00 0.00 O ATOM 928 CB VAL A 57 -1.448 1.282 -13.446 1.00 0.00 C ATOM 929 CG1 VAL A 57 -1.849 1.790 -12.062 1.00 0.00 C ATOM 930 CG2 VAL A 57 -0.097 0.574 -13.349 1.00 0.00 C ATOM 0 H VAL A 57 -4.057 1.681 -13.520 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.134 -0.179 -14.862 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.375 2.122 -14.137 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.099 2.493 -11.701 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.815 2.290 -12.124 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.919 0.949 -11.372 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.656 1.275 -12.989 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.174 -0.264 -12.656 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.192 0.205 -14.333 1.00 0.00 H new ATOM 940 N LEU A 58 -2.217 -1.918 -13.029 1.00 0.00 N ATOM 941 CA LEU A 58 -2.454 -2.971 -12.011 1.00 0.00 C ATOM 942 C LEU A 58 -1.460 -2.775 -10.870 1.00 0.00 C ATOM 943 O LEU A 58 -0.267 -2.724 -11.084 1.00 0.00 O ATOM 944 CB LEU A 58 -2.238 -4.342 -12.652 1.00 0.00 C ATOM 945 CG LEU A 58 -3.071 -5.401 -11.929 1.00 0.00 C ATOM 946 CD1 LEU A 58 -2.649 -6.783 -12.422 1.00 0.00 C ATOM 947 CD2 LEU A 58 -2.839 -5.316 -10.418 1.00 0.00 C ATOM 0 H LEU A 58 -1.616 -2.188 -13.808 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.473 -2.908 -11.628 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.516 -4.307 -13.705 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.182 -4.609 -12.610 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.127 -5.230 -12.137 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.237 -7.546 -11.913 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.817 -6.853 -13.497 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.591 -6.938 -12.209 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.438 -6.075 -9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.784 -5.484 -10.202 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.130 -4.328 -10.060 1.00 0.00 H new ATOM 959 N TRP A 59 -1.933 -2.666 -9.662 1.00 0.00 N ATOM 960 CA TRP A 59 -0.996 -2.476 -8.522 1.00 0.00 C ATOM 961 C TRP A 59 -0.235 -3.781 -8.273 1.00 0.00 C ATOM 962 O TRP A 59 -0.820 -4.833 -8.111 1.00 0.00 O ATOM 963 CB TRP A 59 -1.787 -2.085 -7.271 1.00 0.00 C ATOM 964 CG TRP A 59 -2.140 -0.632 -7.331 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.392 -0.141 -7.430 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.251 0.519 -7.291 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.333 1.245 -7.463 1.00 0.00 N ATOM 968 CE2 TRP A 59 -2.031 1.696 -7.377 1.00 0.00 C ATOM 969 CE3 TRP A 59 0.144 0.652 -7.192 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.447 2.962 -7.364 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.736 1.923 -7.177 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.058 3.077 -7.263 1.00 0.00 C ATOM 0 H TRP A 59 -2.922 -2.700 -9.415 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.285 -1.683 -8.756 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.693 -2.687 -7.199 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.197 -2.289 -6.377 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.295 -0.731 -7.476 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.148 1.853 -7.541 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.764 -0.230 -7.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.063 3.846 -7.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.809 2.014 -7.099 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.404 4.053 -7.251 1.00 0.00 H new ATOM 983 N ASP A 60 1.068 -3.715 -8.246 1.00 0.00 N ATOM 984 CA ASP A 60 1.881 -4.943 -8.013 1.00 0.00 C ATOM 985 C ASP A 60 3.058 -4.599 -7.107 1.00 0.00 C ATOM 986 O ASP A 60 3.321 -3.447 -6.827 1.00 0.00 O ATOM 987 CB ASP A 60 2.411 -5.472 -9.347 1.00 0.00 C ATOM 988 CG ASP A 60 1.242 -5.941 -10.214 1.00 0.00 C ATOM 989 OD1 ASP A 60 0.190 -6.206 -9.660 1.00 0.00 O ATOM 990 OD2 ASP A 60 1.422 -6.033 -11.417 1.00 0.00 O ATOM 0 H ASP A 60 1.607 -2.859 -8.376 1.00 0.00 H new ATOM 0 HA ASP A 60 1.260 -5.705 -7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.969 -4.691 -9.863 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.102 -6.297 -9.174 1.00 0.00 H new ATOM 995 N GLU A 61 3.775 -5.584 -6.647 1.00 0.00 N ATOM 996 CA GLU A 61 4.936 -5.295 -5.763 1.00 0.00 C ATOM 997 C GLU A 61 5.931 -4.415 -6.520 1.00 0.00 C ATOM 998 O GLU A 61 6.524 -3.511 -5.965 1.00 0.00 O ATOM 999 CB GLU A 61 5.613 -6.608 -5.365 1.00 0.00 C ATOM 1000 CG GLU A 61 4.637 -7.458 -4.546 1.00 0.00 C ATOM 1001 CD GLU A 61 3.698 -8.220 -5.486 1.00 0.00 C ATOM 1002 OE1 GLU A 61 3.885 -8.120 -6.688 1.00 0.00 O ATOM 1003 OE2 GLU A 61 2.808 -8.887 -4.987 1.00 0.00 O ATOM 0 H GLU A 61 3.609 -6.571 -6.843 1.00 0.00 H new ATOM 0 HA GLU A 61 4.597 -4.779 -4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.927 -7.152 -6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.512 -6.404 -4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.188 -8.160 -3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.058 -6.821 -3.877 1.00 0.00 H new ATOM 1010 N ASN A 62 6.110 -4.665 -7.788 1.00 0.00 N ATOM 1011 CA ASN A 62 7.056 -3.835 -8.584 1.00 0.00 C ATOM 1012 C ASN A 62 6.509 -2.413 -8.709 1.00 0.00 C ATOM 1013 O ASN A 62 7.225 -1.443 -8.550 1.00 0.00 O ATOM 1014 CB ASN A 62 7.214 -4.443 -9.979 1.00 0.00 C ATOM 1015 CG ASN A 62 7.870 -5.820 -9.867 1.00 0.00 C ATOM 1016 OD1 ASN A 62 7.426 -6.770 -10.481 1.00 0.00 O ATOM 1017 ND2 ASN A 62 8.917 -5.970 -9.102 1.00 0.00 N ATOM 0 H ASN A 62 5.642 -5.408 -8.307 1.00 0.00 H new ATOM 0 HA ASN A 62 8.024 -3.808 -8.084 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.240 -4.531 -10.461 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.821 -3.789 -10.605 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.362 -6.884 -9.020 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.290 -5.173 -8.586 1.00 0.00 H new ATOM 1024 N ASN A 63 5.243 -2.282 -8.991 1.00 0.00 N ATOM 1025 CA ASN A 63 4.641 -0.924 -9.126 1.00 0.00 C ATOM 1026 C ASN A 63 4.755 -0.179 -7.797 1.00 0.00 C ATOM 1027 O ASN A 63 4.991 1.013 -7.760 1.00 0.00 O ATOM 1028 CB ASN A 63 3.164 -1.052 -9.504 1.00 0.00 C ATOM 1029 CG ASN A 63 3.036 -1.759 -10.854 1.00 0.00 C ATOM 1030 OD1 ASN A 63 3.825 -1.531 -11.749 1.00 0.00 O ATOM 1031 ND2 ASN A 63 2.067 -2.614 -11.040 1.00 0.00 N ATOM 0 H ASN A 63 4.597 -3.058 -9.134 1.00 0.00 H new ATOM 0 HA ASN A 63 5.171 -0.373 -9.902 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.630 -1.613 -8.737 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.705 -0.065 -9.555 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.972 -3.091 -11.937 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.405 -2.805 -10.288 1.00 0.00 H new ATOM 1038 N MET A 64 4.585 -0.870 -6.704 1.00 0.00 N ATOM 1039 CA MET A 64 4.680 -0.199 -5.379 1.00 0.00 C ATOM 1040 C MET A 64 6.061 0.436 -5.223 1.00 0.00 C ATOM 1041 O MET A 64 6.200 1.515 -4.680 1.00 0.00 O ATOM 1042 CB MET A 64 4.457 -1.228 -4.270 1.00 0.00 C ATOM 1043 CG MET A 64 2.982 -1.635 -4.238 1.00 0.00 C ATOM 1044 SD MET A 64 1.979 -0.224 -3.712 1.00 0.00 S ATOM 1045 CE MET A 64 0.359 -0.940 -4.084 1.00 0.00 C ATOM 0 H MET A 64 4.385 -1.870 -6.672 1.00 0.00 H new ATOM 0 HA MET A 64 3.919 0.578 -5.310 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.083 -2.104 -4.441 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.750 -0.810 -3.307 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.665 -1.972 -5.225 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.839 -2.472 -3.554 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.318 -0.154 -4.418 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.463 -1.687 -4.870 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.045 -1.411 -3.188 1.00 0.00 H new ATOM 1055 N SER A 65 7.086 -0.214 -5.702 1.00 0.00 N ATOM 1056 CA SER A 65 8.449 0.371 -5.581 1.00 0.00 C ATOM 1057 C SER A 65 8.505 1.672 -6.383 1.00 0.00 C ATOM 1058 O SER A 65 9.126 2.637 -5.981 1.00 0.00 O ATOM 1059 CB SER A 65 9.480 -0.615 -6.132 1.00 0.00 C ATOM 1060 OG SER A 65 9.302 -0.743 -7.536 1.00 0.00 O ATOM 0 H SER A 65 7.039 -1.120 -6.169 1.00 0.00 H new ATOM 0 HA SER A 65 8.671 0.574 -4.533 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.489 -0.265 -5.912 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.367 -1.586 -5.649 1.00 0.00 H new ATOM 0 HG SER A 65 8.488 -1.258 -7.717 1.00 0.00 H new ATOM 1066 N GLU A 66 7.849 1.706 -7.511 1.00 0.00 N ATOM 1067 CA GLU A 66 7.849 2.941 -8.339 1.00 0.00 C ATOM 1068 C GLU A 66 7.011 4.018 -7.648 1.00 0.00 C ATOM 1069 O GLU A 66 7.315 5.193 -7.709 1.00 0.00 O ATOM 1070 CB GLU A 66 7.250 2.627 -9.710 1.00 0.00 C ATOM 1071 CG GLU A 66 8.163 1.650 -10.456 1.00 0.00 C ATOM 1072 CD GLU A 66 7.601 1.394 -11.856 1.00 0.00 C ATOM 1073 OE1 GLU A 66 6.487 1.820 -12.113 1.00 0.00 O ATOM 1074 OE2 GLU A 66 8.294 0.776 -12.646 1.00 0.00 O ATOM 0 H GLU A 66 7.312 0.928 -7.894 1.00 0.00 H new ATOM 0 HA GLU A 66 8.870 3.302 -8.461 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.256 2.195 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.134 3.545 -10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.171 2.059 -10.526 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.237 0.712 -9.905 1.00 0.00 H new ATOM 1081 N TYR A 67 5.954 3.622 -6.994 1.00 0.00 N ATOM 1082 CA TYR A 67 5.085 4.616 -6.299 1.00 0.00 C ATOM 1083 C TYR A 67 5.878 5.342 -5.212 1.00 0.00 C ATOM 1084 O TYR A 67 5.849 6.553 -5.114 1.00 0.00 O ATOM 1085 CB TYR A 67 3.900 3.887 -5.663 1.00 0.00 C ATOM 1086 CG TYR A 67 3.345 4.719 -4.532 1.00 0.00 C ATOM 1087 CD1 TYR A 67 2.748 5.956 -4.797 1.00 0.00 C ATOM 1088 CD2 TYR A 67 3.435 4.253 -3.214 1.00 0.00 C ATOM 1089 CE1 TYR A 67 2.239 6.728 -3.743 1.00 0.00 C ATOM 1090 CE2 TYR A 67 2.929 5.025 -2.163 1.00 0.00 C ATOM 1091 CZ TYR A 67 2.332 6.262 -2.428 1.00 0.00 C ATOM 1092 OH TYR A 67 1.834 7.023 -1.390 1.00 0.00 O ATOM 0 H TYR A 67 5.653 2.651 -6.910 1.00 0.00 H new ATOM 0 HA TYR A 67 4.727 5.348 -7.023 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.127 3.707 -6.410 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.216 2.913 -5.291 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.679 6.316 -5.813 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.895 3.298 -3.009 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.775 7.682 -3.947 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.999 4.666 -1.147 1.00 0.00 H new ATOM 0 HH TYR A 67 1.454 7.853 -1.746 1.00 0.00 H new ATOM 1102 N LEU A 68 6.587 4.617 -4.393 1.00 0.00 N ATOM 1103 CA LEU A 68 7.375 5.271 -3.316 1.00 0.00 C ATOM 1104 C LEU A 68 8.466 6.146 -3.930 1.00 0.00 C ATOM 1105 O LEU A 68 8.714 7.250 -3.488 1.00 0.00 O ATOM 1106 CB LEU A 68 8.003 4.190 -2.440 1.00 0.00 C ATOM 1107 CG LEU A 68 6.892 3.411 -1.731 1.00 0.00 C ATOM 1108 CD1 LEU A 68 7.495 2.257 -0.931 1.00 0.00 C ATOM 1109 CD2 LEU A 68 6.143 4.345 -0.778 1.00 0.00 C ATOM 0 H LEU A 68 6.654 3.600 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 68 6.723 5.901 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.605 3.516 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.672 4.641 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 68 6.203 3.014 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.699 1.707 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.030 1.587 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.187 2.652 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.352 3.791 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.837 4.743 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.706 5.168 -1.344 1.00 0.00 H new ATOM 1121 N THR A 69 9.116 5.664 -4.949 1.00 0.00 N ATOM 1122 CA THR A 69 10.188 6.473 -5.596 1.00 0.00 C ATOM 1123 C THR A 69 9.552 7.623 -6.382 1.00 0.00 C ATOM 1124 O THR A 69 10.065 8.724 -6.416 1.00 0.00 O ATOM 1125 CB THR A 69 10.992 5.586 -6.551 1.00 0.00 C ATOM 1126 OG1 THR A 69 10.155 5.157 -7.614 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.525 4.367 -5.795 1.00 0.00 C ATOM 0 H THR A 69 8.953 4.746 -5.363 1.00 0.00 H new ATOM 0 HA THR A 69 10.851 6.877 -4.831 1.00 0.00 H new ATOM 0 HB THR A 69 11.830 6.154 -6.954 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.669 4.590 -8.227 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.097 3.737 -6.477 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.169 4.697 -4.980 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.689 3.797 -5.389 1.00 0.00 H new ATOM 1135 N ASN A 70 8.435 7.374 -7.013 1.00 0.00 N ATOM 1136 CA ASN A 70 7.760 8.451 -7.795 1.00 0.00 C ATOM 1137 C ASN A 70 6.258 8.428 -7.502 1.00 0.00 C ATOM 1138 O ASN A 70 5.619 7.398 -7.587 1.00 0.00 O ATOM 1139 CB ASN A 70 7.992 8.216 -9.289 1.00 0.00 C ATOM 1140 CG ASN A 70 9.487 8.327 -9.598 1.00 0.00 C ATOM 1141 OD1 ASN A 70 10.239 8.880 -8.821 1.00 0.00 O ATOM 1142 ND2 ASN A 70 9.950 7.822 -10.707 1.00 0.00 N ATOM 0 H ASN A 70 7.961 6.471 -7.021 1.00 0.00 H new ATOM 0 HA ASN A 70 8.171 9.420 -7.511 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.623 7.231 -9.574 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.434 8.947 -9.874 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.945 7.891 -10.923 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.318 7.358 -11.359 1.00 0.00 H new ATOM 1149 N HIS A 71 5.688 9.551 -7.161 1.00 0.00 N ATOM 1150 CA HIS A 71 4.227 9.580 -6.868 1.00 0.00 C ATOM 1151 C HIS A 71 3.696 11.006 -7.025 1.00 0.00 C ATOM 1152 O HIS A 71 4.232 11.941 -6.465 1.00 0.00 O ATOM 1153 CB HIS A 71 3.994 9.106 -5.434 1.00 0.00 C ATOM 1154 CG HIS A 71 4.993 9.761 -4.520 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.626 10.731 -3.597 1.00 0.00 N ATOM 1156 CD2 HIS A 71 6.350 9.601 -4.377 1.00 0.00 C ATOM 1157 CE1 HIS A 71 5.741 11.112 -2.945 1.00 0.00 C ATOM 1158 NE2 HIS A 71 6.815 10.454 -3.383 1.00 0.00 N ATOM 0 H HIS A 71 6.168 10.446 -7.073 1.00 0.00 H new ATOM 0 HA HIS A 71 3.704 8.924 -7.564 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.980 9.353 -5.118 1.00 0.00 H new ATOM 0 HB3 HIS A 71 4.090 8.022 -5.378 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.961 8.918 -4.949 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.763 11.858 -2.164 1.00 0.00 H new ATOM 0 HE2 HIS A 71 7.776 10.555 -3.057 1.00 0.00 H new ATOM 1167 N ALA A 72 2.640 11.177 -7.777 1.00 0.00 N ATOM 1168 CA ALA A 72 2.061 12.539 -7.969 1.00 0.00 C ATOM 1169 C ALA A 72 1.093 12.514 -9.158 1.00 0.00 C ATOM 1170 O ALA A 72 0.014 11.966 -9.072 1.00 0.00 O ATOM 1171 CB ALA A 72 3.182 13.551 -8.231 1.00 0.00 C ATOM 0 H ALA A 72 2.152 10.428 -8.268 1.00 0.00 H new ATOM 0 HA ALA A 72 1.523 12.835 -7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.752 14.543 -8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.864 13.567 -7.381 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.729 13.264 -9.129 1.00 0.00 H new ATOM 1177 N LYS A 73 1.463 13.098 -10.267 1.00 0.00 N ATOM 1178 CA LYS A 73 0.552 13.097 -11.450 1.00 0.00 C ATOM 1179 C LYS A 73 0.230 11.653 -11.838 1.00 0.00 C ATOM 1180 O LYS A 73 -0.849 11.351 -12.309 1.00 0.00 O ATOM 1181 CB LYS A 73 1.236 13.802 -12.622 1.00 0.00 C ATOM 1182 CG LYS A 73 1.453 15.276 -12.275 1.00 0.00 C ATOM 1183 CD LYS A 73 2.026 16.008 -13.490 1.00 0.00 C ATOM 1184 CE LYS A 73 2.350 17.453 -13.110 1.00 0.00 C ATOM 1185 NZ LYS A 73 1.558 18.381 -13.968 1.00 0.00 N ATOM 0 H LYS A 73 2.354 13.575 -10.405 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.370 13.622 -11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.191 13.324 -12.840 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.624 13.715 -13.520 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.510 15.732 -11.974 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.135 15.365 -11.429 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.926 15.503 -13.841 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.309 15.989 -14.311 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.118 17.625 -12.059 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.416 17.644 -13.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.778 19.364 -13.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.800 18.222 -14.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.543 18.204 -13.826 1.00 0.00 H new ATOM 1199 N TYR A 74 1.159 10.762 -11.639 1.00 0.00 N ATOM 1200 CA TYR A 74 0.920 9.334 -11.988 1.00 0.00 C ATOM 1201 C TYR A 74 -0.368 8.844 -11.319 1.00 0.00 C ATOM 1202 O TYR A 74 -1.145 8.115 -11.904 1.00 0.00 O ATOM 1203 CB TYR A 74 2.109 8.509 -11.495 1.00 0.00 C ATOM 1204 CG TYR A 74 1.689 7.077 -11.284 1.00 0.00 C ATOM 1205 CD1 TYR A 74 0.994 6.389 -12.284 1.00 0.00 C ATOM 1206 CD2 TYR A 74 1.998 6.440 -10.079 1.00 0.00 C ATOM 1207 CE1 TYR A 74 0.608 5.059 -12.077 1.00 0.00 C ATOM 1208 CE2 TYR A 74 1.614 5.112 -9.870 1.00 0.00 C ATOM 1209 CZ TYR A 74 0.919 4.420 -10.870 1.00 0.00 C ATOM 1210 OH TYR A 74 0.539 3.108 -10.665 1.00 0.00 O ATOM 0 H TYR A 74 2.079 10.962 -11.247 1.00 0.00 H new ATOM 0 HA TYR A 74 0.814 9.226 -13.067 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.921 8.556 -12.221 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.490 8.926 -10.563 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.755 6.883 -13.214 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.534 6.974 -9.308 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.071 4.526 -12.848 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.853 4.620 -8.939 1.00 0.00 H new ATOM 0 HH TYR A 74 0.324 2.974 -9.718 1.00 0.00 H new ATOM 1220 N ILE A 75 -0.597 9.240 -10.099 1.00 0.00 N ATOM 1221 CA ILE A 75 -1.834 8.807 -9.379 1.00 0.00 C ATOM 1222 C ILE A 75 -2.632 10.051 -8.967 1.00 0.00 C ATOM 1223 O ILE A 75 -2.117 11.148 -8.977 1.00 0.00 O ATOM 1224 CB ILE A 75 -1.418 8.021 -8.130 1.00 0.00 C ATOM 1225 CG1 ILE A 75 0.016 8.398 -7.771 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -1.491 6.512 -8.408 1.00 0.00 C ATOM 1227 CD1 ILE A 75 0.370 7.800 -6.414 1.00 0.00 C ATOM 0 H ILE A 75 0.022 9.849 -9.563 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.452 8.179 -10.021 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.091 8.262 -7.307 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.703 8.030 -8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.123 9.482 -7.742 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.194 5.963 -7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.512 6.241 -8.678 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.820 6.260 -9.229 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.394 8.068 -6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.310 8.189 -5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.279 6.715 -6.460 1.00 0.00 H new ATOM 1239 N PRO A 76 -3.881 9.878 -8.606 1.00 0.00 N ATOM 1240 CA PRO A 76 -4.771 10.991 -8.170 1.00 0.00 C ATOM 1241 C PRO A 76 -4.051 12.049 -7.327 1.00 0.00 C ATOM 1242 O PRO A 76 -4.593 13.100 -7.047 1.00 0.00 O ATOM 1243 CB PRO A 76 -5.838 10.294 -7.313 1.00 0.00 C ATOM 1244 CG PRO A 76 -5.710 8.815 -7.559 1.00 0.00 C ATOM 1245 CD PRO A 76 -4.602 8.601 -8.592 1.00 0.00 C ATOM 0 HA PRO A 76 -5.164 11.530 -9.032 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.693 10.522 -6.257 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.835 10.644 -7.581 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.472 8.294 -6.632 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.653 8.406 -7.922 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.948 7.776 -8.311 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.012 8.363 -9.574 1.00 0.00 H new ATOM 1253 N GLY A 77 -2.850 11.782 -6.906 1.00 0.00 N ATOM 1254 CA GLY A 77 -2.129 12.776 -6.069 1.00 0.00 C ATOM 1255 C GLY A 77 -2.467 12.494 -4.612 1.00 0.00 C ATOM 1256 O GLY A 77 -2.205 13.290 -3.733 1.00 0.00 O ATOM 0 H GLY A 77 -2.338 10.922 -7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.054 12.704 -6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.425 13.789 -6.340 1.00 0.00 H new ATOM 1260 N THR A 78 -3.061 11.353 -4.372 1.00 0.00 N ATOM 1261 CA THR A 78 -3.449 10.959 -2.986 1.00 0.00 C ATOM 1262 C THR A 78 -2.468 11.549 -1.971 1.00 0.00 C ATOM 1263 O THR A 78 -1.267 11.432 -2.110 1.00 0.00 O ATOM 1264 CB THR A 78 -3.425 9.435 -2.893 1.00 0.00 C ATOM 1265 OG1 THR A 78 -3.691 9.034 -1.557 1.00 0.00 O ATOM 1266 CG2 THR A 78 -2.048 8.924 -3.322 1.00 0.00 C ATOM 0 H THR A 78 -3.297 10.668 -5.090 1.00 0.00 H new ATOM 0 HA THR A 78 -4.447 11.338 -2.764 1.00 0.00 H new ATOM 0 HB THR A 78 -4.188 9.017 -3.550 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.677 8.056 -1.500 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.027 7.836 -3.257 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.850 9.230 -4.349 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.284 9.341 -2.666 1.00 0.00 H new ATOM 1274 N LYS A 79 -2.974 12.194 -0.957 1.00 0.00 N ATOM 1275 CA LYS A 79 -2.079 12.809 0.064 1.00 0.00 C ATOM 1276 C LYS A 79 -1.195 11.737 0.705 1.00 0.00 C ATOM 1277 O LYS A 79 -0.033 11.968 0.972 1.00 0.00 O ATOM 1278 CB LYS A 79 -2.929 13.476 1.147 1.00 0.00 C ATOM 1279 CG LYS A 79 -3.727 14.628 0.533 1.00 0.00 C ATOM 1280 CD LYS A 79 -4.486 15.368 1.636 1.00 0.00 C ATOM 1281 CE LYS A 79 -5.382 16.438 1.011 1.00 0.00 C ATOM 1282 NZ LYS A 79 -5.593 17.542 1.988 1.00 0.00 N ATOM 0 H LYS A 79 -3.972 12.322 -0.791 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.445 13.551 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.606 12.747 1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.290 13.848 1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.056 15.314 0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.426 14.245 -0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.088 14.665 2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.783 15.828 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.923 16.826 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.340 16.004 0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.202 18.270 1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.048 17.166 2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.676 17.962 2.240 1.00 0.00 H new ATOM 1296 N MET A 80 -1.736 10.570 0.958 1.00 0.00 N ATOM 1297 CA MET A 80 -0.929 9.484 1.592 1.00 0.00 C ATOM 1298 C MET A 80 0.021 10.088 2.631 1.00 0.00 C ATOM 1299 O MET A 80 1.122 10.499 2.318 1.00 0.00 O ATOM 1300 CB MET A 80 -0.123 8.746 0.518 1.00 0.00 C ATOM 1301 CG MET A 80 -0.765 7.380 0.254 1.00 0.00 C ATOM 1302 SD MET A 80 -0.494 6.306 1.687 1.00 0.00 S ATOM 1303 CE MET A 80 1.214 5.824 1.328 1.00 0.00 C ATOM 0 H MET A 80 -2.704 10.324 0.752 1.00 0.00 H new ATOM 0 HA MET A 80 -1.598 8.779 2.085 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.097 9.332 -0.401 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.909 8.619 0.845 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.833 7.497 0.069 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.334 6.929 -0.640 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.544 5.083 2.056 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.269 5.398 0.326 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.859 6.701 1.385 1.00 0.00 H new ATOM 1313 N ALA A 81 -0.400 10.150 3.865 1.00 0.00 N ATOM 1314 CA ALA A 81 0.470 10.735 4.925 1.00 0.00 C ATOM 1315 C ALA A 81 1.776 9.947 5.018 1.00 0.00 C ATOM 1316 O ALA A 81 2.820 10.491 5.319 1.00 0.00 O ATOM 1317 CB ALA A 81 -0.257 10.677 6.271 1.00 0.00 C ATOM 0 H ALA A 81 -1.310 9.820 4.185 1.00 0.00 H new ATOM 0 HA ALA A 81 0.693 11.772 4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.379 11.105 7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.185 11.245 6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.483 9.640 6.518 1.00 0.00 H new ATOM 1323 N PHE A 82 1.732 8.669 4.761 1.00 0.00 N ATOM 1324 CA PHE A 82 2.977 7.854 4.836 1.00 0.00 C ATOM 1325 C PHE A 82 3.920 8.278 3.707 1.00 0.00 C ATOM 1326 O PHE A 82 4.185 7.527 2.790 1.00 0.00 O ATOM 1327 CB PHE A 82 2.622 6.373 4.683 1.00 0.00 C ATOM 1328 CG PHE A 82 3.669 5.528 5.367 1.00 0.00 C ATOM 1329 CD1 PHE A 82 3.576 5.283 6.743 1.00 0.00 C ATOM 1330 CD2 PHE A 82 4.729 4.986 4.630 1.00 0.00 C ATOM 1331 CE1 PHE A 82 4.542 4.497 7.381 1.00 0.00 C ATOM 1332 CE2 PHE A 82 5.697 4.200 5.270 1.00 0.00 C ATOM 1333 CZ PHE A 82 5.601 3.956 6.646 1.00 0.00 C ATOM 0 H PHE A 82 0.890 8.155 4.503 1.00 0.00 H new ATOM 0 HA PHE A 82 3.466 8.010 5.798 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.642 6.177 5.117 1.00 0.00 H new ATOM 0 HB3 PHE A 82 2.561 6.110 3.627 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.758 5.701 7.312 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.801 5.174 3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.469 4.308 8.442 1.00 0.00 H new ATOM 0 HE2 PHE A 82 6.516 3.783 4.703 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.346 3.349 7.140 1.00 0.00 H new ATOM 1343 N GLY A 83 4.422 9.482 3.765 1.00 0.00 N ATOM 1344 CA GLY A 83 5.340 9.962 2.692 1.00 0.00 C ATOM 1345 C GLY A 83 6.505 8.985 2.529 1.00 0.00 C ATOM 1346 O GLY A 83 6.959 8.725 1.433 1.00 0.00 O ATOM 0 H GLY A 83 4.236 10.154 4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.797 10.055 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.718 10.954 2.941 1.00 0.00 H new ATOM 1350 N GLY A 84 6.991 8.436 3.608 1.00 0.00 N ATOM 1351 CA GLY A 84 8.124 7.473 3.501 1.00 0.00 C ATOM 1352 C GLY A 84 8.482 6.941 4.890 1.00 0.00 C ATOM 1353 O GLY A 84 8.007 7.429 5.896 1.00 0.00 O ATOM 0 H GLY A 84 6.655 8.611 4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.851 6.647 2.844 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.989 7.963 3.055 1.00 0.00 H new ATOM 1357 N LEU A 85 9.320 5.940 4.946 1.00 0.00 N ATOM 1358 CA LEU A 85 9.721 5.361 6.260 1.00 0.00 C ATOM 1359 C LEU A 85 11.226 5.539 6.462 1.00 0.00 C ATOM 1360 O LEU A 85 12.016 5.268 5.579 1.00 0.00 O ATOM 1361 CB LEU A 85 9.375 3.872 6.276 1.00 0.00 C ATOM 1362 CG LEU A 85 9.732 3.272 7.636 1.00 0.00 C ATOM 1363 CD1 LEU A 85 8.948 3.984 8.738 1.00 0.00 C ATOM 1364 CD2 LEU A 85 9.375 1.784 7.644 1.00 0.00 C ATOM 0 H LEU A 85 9.746 5.496 4.132 1.00 0.00 H new ATOM 0 HA LEU A 85 9.189 5.871 7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.313 3.734 6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.919 3.354 5.486 1.00 0.00 H new ATOM 0 HG LEU A 85 10.800 3.396 7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.206 3.552 9.705 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.199 5.045 8.735 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.879 3.863 8.560 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.629 1.354 8.613 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.307 1.665 7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.935 1.271 6.862 1.00 0.00 H new ATOM 1376 N LYS A 86 11.633 5.989 7.619 1.00 0.00 N ATOM 1377 CA LYS A 86 13.091 6.176 7.867 1.00 0.00 C ATOM 1378 C LYS A 86 13.812 4.845 7.645 1.00 0.00 C ATOM 1379 O LYS A 86 14.894 4.799 7.094 1.00 0.00 O ATOM 1380 CB LYS A 86 13.312 6.642 9.308 1.00 0.00 C ATOM 1381 CG LYS A 86 14.796 6.944 9.525 1.00 0.00 C ATOM 1382 CD LYS A 86 15.028 7.355 10.979 1.00 0.00 C ATOM 1383 CE LYS A 86 16.486 7.780 11.163 1.00 0.00 C ATOM 1384 NZ LYS A 86 16.535 9.116 11.822 1.00 0.00 N ATOM 0 H LYS A 86 11.023 6.234 8.399 1.00 0.00 H new ATOM 0 HA LYS A 86 13.485 6.927 7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.716 7.532 9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.981 5.872 10.005 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.395 6.066 9.285 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.117 7.742 8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.362 8.176 11.247 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.793 6.524 11.645 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.017 7.045 11.768 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.989 7.821 10.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.526 9.405 11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.043 9.814 11.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.070 9.062 12.751 1.00 0.00 H new ATOM 1398 N LYS A 87 13.218 3.761 8.064 1.00 0.00 N ATOM 1399 CA LYS A 87 13.867 2.434 7.869 1.00 0.00 C ATOM 1400 C LYS A 87 13.321 1.795 6.590 1.00 0.00 C ATOM 1401 O LYS A 87 12.242 1.237 6.574 1.00 0.00 O ATOM 1402 CB LYS A 87 13.556 1.533 9.066 1.00 0.00 C ATOM 1403 CG LYS A 87 14.172 2.136 10.330 1.00 0.00 C ATOM 1404 CD LYS A 87 13.957 1.184 11.508 1.00 0.00 C ATOM 1405 CE LYS A 87 14.467 1.837 12.794 1.00 0.00 C ATOM 1406 NZ LYS A 87 15.682 1.116 13.269 1.00 0.00 N ATOM 0 H LYS A 87 12.312 3.737 8.532 1.00 0.00 H new ATOM 0 HA LYS A 87 14.946 2.560 7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.478 1.430 9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.954 0.533 8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 87 15.237 2.311 10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.717 3.103 10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.898 0.943 11.605 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.483 0.246 11.331 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.701 2.886 12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.692 1.810 13.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.029 1.559 14.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.444 0.121 13.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.421 1.164 12.539 1.00 0.00 H new ATOM 1420 N GLU A 88 14.055 1.880 5.517 1.00 0.00 N ATOM 1421 CA GLU A 88 13.580 1.287 4.234 1.00 0.00 C ATOM 1422 C GLU A 88 13.479 -0.235 4.362 1.00 0.00 C ATOM 1423 O GLU A 88 12.601 -0.854 3.795 1.00 0.00 O ATOM 1424 CB GLU A 88 14.565 1.638 3.117 1.00 0.00 C ATOM 1425 CG GLU A 88 14.563 3.151 2.889 1.00 0.00 C ATOM 1426 CD GLU A 88 15.495 3.494 1.726 1.00 0.00 C ATOM 1427 OE1 GLU A 88 16.209 2.609 1.284 1.00 0.00 O ATOM 1428 OE2 GLU A 88 15.478 4.636 1.297 1.00 0.00 O ATOM 0 H GLU A 88 14.966 2.336 5.472 1.00 0.00 H new ATOM 0 HA GLU A 88 12.595 1.690 3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.567 1.301 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.288 1.121 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.552 3.495 2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.888 3.666 3.793 1.00 0.00 H new ATOM 1435 N LYS A 89 14.369 -0.848 5.095 1.00 0.00 N ATOM 1436 CA LYS A 89 14.313 -2.328 5.241 1.00 0.00 C ATOM 1437 C LYS A 89 12.964 -2.730 5.836 1.00 0.00 C ATOM 1438 O LYS A 89 12.295 -3.624 5.351 1.00 0.00 O ATOM 1439 CB LYS A 89 15.435 -2.781 6.173 1.00 0.00 C ATOM 1440 CG LYS A 89 16.790 -2.446 5.546 1.00 0.00 C ATOM 1441 CD LYS A 89 17.911 -3.001 6.427 1.00 0.00 C ATOM 1442 CE LYS A 89 19.264 -2.544 5.881 1.00 0.00 C ATOM 1443 NZ LYS A 89 20.009 -3.719 5.348 1.00 0.00 N ATOM 0 H LYS A 89 15.129 -0.389 5.597 1.00 0.00 H new ATOM 0 HA LYS A 89 14.433 -2.799 4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.339 -2.288 7.141 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.361 -3.854 6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.855 -2.872 4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.897 -1.366 5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.786 -2.656 7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.865 -4.090 6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 89 19.119 -1.805 5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 89 19.842 -2.061 6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 20.929 -3.407 4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 20.159 -4.410 6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.459 -4.161 4.584 1.00 0.00 H new ATOM 1457 N ASP A 90 12.552 -2.065 6.877 1.00 0.00 N ATOM 1458 CA ASP A 90 11.244 -2.394 7.497 1.00 0.00 C ATOM 1459 C ASP A 90 10.135 -2.129 6.480 1.00 0.00 C ATOM 1460 O ASP A 90 9.175 -2.869 6.380 1.00 0.00 O ATOM 1461 CB ASP A 90 11.041 -1.515 8.730 1.00 0.00 C ATOM 1462 CG ASP A 90 12.083 -1.875 9.792 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.715 -2.908 9.645 1.00 0.00 O ATOM 1464 OD2 ASP A 90 12.228 -1.113 10.733 1.00 0.00 O ATOM 0 H ASP A 90 13.067 -1.307 7.325 1.00 0.00 H new ATOM 0 HA ASP A 90 11.220 -3.442 7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.131 -0.463 8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.036 -1.656 9.129 1.00 0.00 H new ATOM 1469 N ARG A 91 10.267 -1.079 5.717 1.00 0.00 N ATOM 1470 CA ARG A 91 9.230 -0.760 4.697 1.00 0.00 C ATOM 1471 C ARG A 91 9.089 -1.940 3.739 1.00 0.00 C ATOM 1472 O ARG A 91 8.004 -2.290 3.323 1.00 0.00 O ATOM 1473 CB ARG A 91 9.654 0.484 3.916 1.00 0.00 C ATOM 1474 CG ARG A 91 8.532 0.903 2.965 1.00 0.00 C ATOM 1475 CD ARG A 91 8.927 2.199 2.257 1.00 0.00 C ATOM 1476 NE ARG A 91 10.048 1.926 1.311 1.00 0.00 N ATOM 1477 CZ ARG A 91 10.885 2.878 0.995 1.00 0.00 C ATOM 1478 NH1 ARG A 91 10.735 4.075 1.495 1.00 0.00 N ATOM 1479 NH2 ARG A 91 11.870 2.634 0.175 1.00 0.00 N ATOM 0 H ARG A 91 11.050 -0.427 5.757 1.00 0.00 H new ATOM 0 HA ARG A 91 8.275 -0.572 5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.883 1.297 4.605 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.564 0.279 3.352 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.348 0.117 2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.604 1.046 3.519 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.072 2.606 1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.229 2.949 2.989 1.00 0.00 H new ATOM 0 HE ARG A 91 10.161 0.995 0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.963 4.268 2.133 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.390 4.817 1.247 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.986 1.700 -0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.524 3.377 -0.072 1.00 0.00 H new ATOM 1493 N ASN A 92 10.183 -2.559 3.388 1.00 0.00 N ATOM 1494 CA ASN A 92 10.114 -3.716 2.462 1.00 0.00 C ATOM 1495 C ASN A 92 9.188 -4.776 3.052 1.00 0.00 C ATOM 1496 O ASN A 92 8.422 -5.407 2.353 1.00 0.00 O ATOM 1497 CB ASN A 92 11.514 -4.301 2.282 1.00 0.00 C ATOM 1498 CG ASN A 92 12.416 -3.269 1.601 1.00 0.00 C ATOM 1499 OD1 ASN A 92 11.936 -2.334 0.991 1.00 0.00 O ATOM 1500 ND2 ASN A 92 13.712 -3.399 1.680 1.00 0.00 N ATOM 0 H ASN A 92 11.120 -2.311 3.705 1.00 0.00 H new ATOM 0 HA ASN A 92 9.728 -3.394 1.495 1.00 0.00 H new ATOM 0 HB2 ASN A 92 11.930 -4.580 3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 92 11.465 -5.209 1.682 1.00 0.00 H new ATOM 0 HD21 ASN A 92 14.321 -2.716 1.230 1.00 0.00 H new ATOM 0 HD22 ASN A 92 14.116 -4.184 2.192 1.00 0.00 H new ATOM 1507 N ASP A 93 9.248 -4.973 4.339 1.00 0.00 N ATOM 1508 CA ASP A 93 8.366 -5.989 4.973 1.00 0.00 C ATOM 1509 C ASP A 93 6.903 -5.623 4.716 1.00 0.00 C ATOM 1510 O ASP A 93 6.069 -6.479 4.496 1.00 0.00 O ATOM 1511 CB ASP A 93 8.633 -6.024 6.478 1.00 0.00 C ATOM 1512 CG ASP A 93 10.038 -6.571 6.735 1.00 0.00 C ATOM 1513 OD1 ASP A 93 10.633 -7.081 5.801 1.00 0.00 O ATOM 1514 OD2 ASP A 93 10.494 -6.469 7.861 1.00 0.00 O ATOM 0 H ASP A 93 9.868 -4.475 4.977 1.00 0.00 H new ATOM 0 HA ASP A 93 8.572 -6.971 4.547 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.539 -5.023 6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.891 -6.649 6.975 1.00 0.00 H new ATOM 1519 N LEU A 94 6.586 -4.358 4.743 1.00 0.00 N ATOM 1520 CA LEU A 94 5.179 -3.934 4.503 1.00 0.00 C ATOM 1521 C LEU A 94 4.727 -4.376 3.111 1.00 0.00 C ATOM 1522 O LEU A 94 3.616 -4.835 2.926 1.00 0.00 O ATOM 1523 CB LEU A 94 5.093 -2.411 4.591 1.00 0.00 C ATOM 1524 CG LEU A 94 5.426 -1.950 6.010 1.00 0.00 C ATOM 1525 CD1 LEU A 94 5.366 -0.423 6.071 1.00 0.00 C ATOM 1526 CD2 LEU A 94 4.404 -2.536 6.989 1.00 0.00 C ATOM 0 H LEU A 94 7.243 -3.598 4.921 1.00 0.00 H new ATOM 0 HA LEU A 94 4.535 -4.393 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.785 -1.958 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.092 -2.079 4.317 1.00 0.00 H new ATOM 0 HG LEU A 94 6.426 -2.290 6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.603 -0.090 7.081 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.088 -0.002 5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.364 -0.087 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.640 -2.208 8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.405 -2.193 6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.439 -3.624 6.943 1.00 0.00 H new ATOM 1538 N ILE A 95 5.571 -4.238 2.129 1.00 0.00 N ATOM 1539 CA ILE A 95 5.184 -4.642 0.754 1.00 0.00 C ATOM 1540 C ILE A 95 4.801 -6.122 0.756 1.00 0.00 C ATOM 1541 O ILE A 95 3.786 -6.512 0.214 1.00 0.00 O ATOM 1542 CB ILE A 95 6.372 -4.420 -0.182 1.00 0.00 C ATOM 1543 CG1 ILE A 95 6.887 -2.984 -0.033 1.00 0.00 C ATOM 1544 CG2 ILE A 95 5.930 -4.645 -1.624 1.00 0.00 C ATOM 1545 CD1 ILE A 95 5.718 -2.001 -0.127 1.00 0.00 C ATOM 0 H ILE A 95 6.514 -3.862 2.221 1.00 0.00 H new ATOM 0 HA ILE A 95 4.335 -4.048 0.414 1.00 0.00 H new ATOM 0 HB ILE A 95 7.167 -5.120 0.075 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.395 -2.868 0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.619 -2.768 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.776 -4.487 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.564 -5.665 -1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.134 -3.944 -1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.090 -0.982 -0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.229 -2.109 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.002 -2.211 0.667 1.00 0.00 H new ATOM 1557 N THR A 96 5.605 -6.947 1.362 1.00 0.00 N ATOM 1558 CA THR A 96 5.288 -8.403 1.401 1.00 0.00 C ATOM 1559 C THR A 96 3.942 -8.612 2.102 1.00 0.00 C ATOM 1560 O THR A 96 3.121 -9.397 1.669 1.00 0.00 O ATOM 1561 CB THR A 96 6.383 -9.138 2.178 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.653 -8.772 1.662 1.00 0.00 O ATOM 1563 CG2 THR A 96 6.190 -10.648 2.035 1.00 0.00 C ATOM 0 H THR A 96 6.469 -6.678 1.833 1.00 0.00 H new ATOM 0 HA THR A 96 5.235 -8.793 0.385 1.00 0.00 H new ATOM 0 HB THR A 96 6.325 -8.866 3.232 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.322 -8.816 2.377 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.971 -11.169 2.589 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.214 -10.929 2.432 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.247 -10.924 0.982 1.00 0.00 H new ATOM 1571 N TYR A 97 3.712 -7.918 3.183 1.00 0.00 N ATOM 1572 CA TYR A 97 2.423 -8.079 3.914 1.00 0.00 C ATOM 1573 C TYR A 97 1.255 -7.655 3.020 1.00 0.00 C ATOM 1574 O TYR A 97 0.219 -8.289 3.000 1.00 0.00 O ATOM 1575 CB TYR A 97 2.435 -7.214 5.175 1.00 0.00 C ATOM 1576 CG TYR A 97 1.139 -7.411 5.926 1.00 0.00 C ATOM 1577 CD1 TYR A 97 0.985 -8.509 6.779 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.091 -6.496 5.764 1.00 0.00 C ATOM 1579 CE1 TYR A 97 -0.217 -8.692 7.473 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -1.110 -6.680 6.457 1.00 0.00 C ATOM 1581 CZ TYR A 97 -1.265 -7.778 7.312 1.00 0.00 C ATOM 1582 OH TYR A 97 -2.450 -7.960 7.996 1.00 0.00 O ATOM 0 H TYR A 97 4.361 -7.246 3.592 1.00 0.00 H new ATOM 0 HA TYR A 97 2.302 -9.127 4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.280 -7.484 5.808 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.559 -6.164 4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.793 -9.215 6.902 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.210 -5.649 5.105 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.336 -9.539 8.133 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.918 -5.975 6.333 1.00 0.00 H new ATOM 0 HH TYR A 97 -3.071 -7.236 7.772 1.00 0.00 H new ATOM 1592 N LEU A 98 1.406 -6.587 2.286 1.00 0.00 N ATOM 1593 CA LEU A 98 0.292 -6.132 1.408 1.00 0.00 C ATOM 1594 C LEU A 98 -0.127 -7.270 0.482 1.00 0.00 C ATOM 1595 O LEU A 98 -1.299 -7.484 0.241 1.00 0.00 O ATOM 1596 CB LEU A 98 0.744 -4.925 0.582 1.00 0.00 C ATOM 1597 CG LEU A 98 -0.007 -3.676 1.054 1.00 0.00 C ATOM 1598 CD1 LEU A 98 0.172 -3.508 2.565 1.00 0.00 C ATOM 1599 CD2 LEU A 98 0.545 -2.442 0.334 1.00 0.00 C ATOM 0 H LEU A 98 2.248 -6.012 2.256 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.559 -5.841 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.819 -4.779 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.550 -5.101 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.067 -3.786 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.363 -2.619 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.225 -4.384 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.232 -3.401 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.010 -1.554 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.606 -2.333 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.413 -2.559 -0.742 1.00 0.00 H new ATOM 1611 N LYS A 99 0.810 -8.019 -0.026 1.00 0.00 N ATOM 1612 CA LYS A 99 0.434 -9.151 -0.912 1.00 0.00 C ATOM 1613 C LYS A 99 -0.490 -10.079 -0.128 1.00 0.00 C ATOM 1614 O LYS A 99 -1.493 -10.547 -0.626 1.00 0.00 O ATOM 1615 CB LYS A 99 1.690 -9.915 -1.337 1.00 0.00 C ATOM 1616 CG LYS A 99 1.304 -11.020 -2.323 1.00 0.00 C ATOM 1617 CD LYS A 99 2.565 -11.753 -2.793 1.00 0.00 C ATOM 1618 CE LYS A 99 3.163 -12.555 -1.633 1.00 0.00 C ATOM 1619 NZ LYS A 99 3.449 -13.945 -2.088 1.00 0.00 N ATOM 0 H LYS A 99 1.810 -7.898 0.132 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.069 -8.780 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.405 -9.234 -1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.179 -10.346 -0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.619 -11.722 -1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.780 -10.592 -3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.322 -12.420 -3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.296 -11.035 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.079 -12.080 -1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.470 -12.571 -0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.855 -14.491 -1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.566 -14.396 -2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.126 -13.920 -2.877 1.00 0.00 H new ATOM 1633 N LYS A 100 -0.159 -10.332 1.107 1.00 0.00 N ATOM 1634 CA LYS A 100 -1.015 -11.212 1.945 1.00 0.00 C ATOM 1635 C LYS A 100 -2.384 -10.555 2.139 1.00 0.00 C ATOM 1636 O LYS A 100 -3.395 -11.220 2.238 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.349 -11.431 3.306 1.00 0.00 C ATOM 1638 CG LYS A 100 -1.153 -12.455 4.111 1.00 0.00 C ATOM 1639 CD LYS A 100 -0.401 -12.803 5.397 1.00 0.00 C ATOM 1640 CE LYS A 100 -0.372 -11.586 6.325 1.00 0.00 C ATOM 1641 NZ LYS A 100 -0.049 -12.027 7.711 1.00 0.00 N ATOM 0 H LYS A 100 0.671 -9.965 1.573 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.143 -12.174 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.674 -11.782 3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.292 -10.488 3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.137 -12.052 4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.313 -13.355 3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.885 -13.642 5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.616 -13.117 5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.371 -10.868 5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.337 -11.079 6.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.618 -11.482 8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.264 -13.039 7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.961 -11.867 7.900 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.423 -9.248 2.203 1.00 0.00 N ATOM 1656 CA ALA A 101 -3.726 -8.553 2.401 1.00 0.00 C ATOM 1657 C ALA A 101 -4.669 -8.877 1.242 1.00 0.00 C ATOM 1658 O ALA A 101 -5.865 -8.988 1.418 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.494 -7.041 2.466 1.00 0.00 C ATOM 0 H ALA A 101 -1.611 -8.636 2.127 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.176 -8.893 3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.447 -6.533 2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.829 -6.810 3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.040 -6.702 1.535 1.00 0.00 H new ATOM 1665 N THR A 102 -4.148 -9.031 0.055 1.00 0.00 N ATOM 1666 CA THR A 102 -5.032 -9.349 -1.101 1.00 0.00 C ATOM 1667 C THR A 102 -5.617 -10.751 -0.920 1.00 0.00 C ATOM 1668 O THR A 102 -6.722 -11.032 -1.338 1.00 0.00 O ATOM 1669 CB THR A 102 -4.232 -9.279 -2.406 1.00 0.00 C ATOM 1670 OG1 THR A 102 -5.068 -8.780 -3.440 1.00 0.00 O ATOM 1671 CG2 THR A 102 -3.723 -10.670 -2.789 1.00 0.00 C ATOM 0 H THR A 102 -3.155 -8.951 -0.163 1.00 0.00 H new ATOM 0 HA THR A 102 -5.843 -8.622 -1.148 1.00 0.00 H new ATOM 0 HB THR A 102 -3.378 -8.616 -2.267 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.264 -9.498 -4.077 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.156 -10.607 -3.718 1.00 0.00 H new ATOM 0 HG22 THR A 102 -3.080 -11.053 -1.997 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.570 -11.342 -2.926 1.00 0.00 H new ATOM 1679 N GLU A 103 -4.883 -11.634 -0.298 1.00 0.00 N ATOM 1680 CA GLU A 103 -5.398 -13.017 -0.091 1.00 0.00 C ATOM 1681 C GLU A 103 -5.832 -13.606 -1.434 1.00 0.00 C ATOM 1682 O GLU A 103 -5.020 -14.062 -2.214 1.00 0.00 O ATOM 1683 CB GLU A 103 -6.597 -12.976 0.859 1.00 0.00 C ATOM 1684 CG GLU A 103 -6.151 -12.445 2.224 1.00 0.00 C ATOM 1685 CD GLU A 103 -7.339 -12.454 3.188 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -8.447 -12.675 2.728 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -7.120 -12.237 4.368 1.00 0.00 O ATOM 0 H GLU A 103 -3.950 -11.457 0.075 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.612 -13.637 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.379 -12.338 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.023 -13.973 0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.343 -13.061 2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.759 -11.433 2.122 1.00 0.00 H new