USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 980 hydrogens (31 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 46 HIS HE2 : A 46 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 117 HIS HE2 : A 117 HIS NE2 : A 125 HEB CAB :(H bumps) USER MOD NoAdj-H: A 125 HEBHAB2 : A 125 HEB CAB : A 117 HIS NE2 :(H bumps) USER MOD NoAdj-H: A 125 HEB H2D : A 125 HEB O2D : A 125 HEB CGD :(short bond) USER MOD NoAdj-H: A 125 HEB H2A : A 125 HEB O2A : A 125 HEB CGA :(short bond) USER MOD Set 1.1: A 80 THR OG1 : rot -23:sc= -1.81! USER MOD Set 1.2: A 83 HIS : no HD1:sc= 1.2 K(o=-0.62,f=-7.3!) USER MOD Set 2.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 43 GLN : amide:sc= -2.19! K(o=-2.2!,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.761 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc=-0.00252 (180deg=-0.103) USER MOD Single : A 20 LYS NZ :NH3+ 151:sc= -0.0363 (180deg=-0.733) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.977 K(o=-0.98,f=-2!) USER MOD Single : A 37 ASN : amide:sc=-0.00259 K(o=-0.0026,f=-1.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -99:sc= 0.794 (180deg=-0.762!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 47 GLN : amide:sc= -9.49! C(o=-9.5!,f=-14!) USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0021) USER MOD Single : A 51 MET CE :methyl -124:sc= 0 (180deg=-1.59!) USER MOD Single : A 52 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -6:sc= 0.457! USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 76 ASN : amide:sc=-0.00473 K(o=-0.0047,f=-1.5) USER MOD Single : A 90 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.7!) USER MOD Single : A 94 THR OG1 : rot 72:sc= 0.882 USER MOD Single : A 96 GLN : amide:sc= -1.19! K(o=-1.2!,f=0) USER MOD Single : A 99 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.3!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -6.4! C(o=-6.4!,f=-3!) USER MOD Single : A 110 THR OG1 : rot 77:sc= 0.146 USER MOD Single : A 114 SER OG : rot 80:sc= 1.01 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 119 ASN : amide:sc= -2.32! C(o=-2.3!,f=-2.4!) USER MOD Single : A 123 ASN : amide:sc= -3.1! C(o=-3.1!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -12.396 11.218 0.227 1.00 0.00 N ATOM 2 CA ALA A 2 -12.881 9.991 -0.465 1.00 0.00 C ATOM 3 C ALA A 2 -12.102 8.782 0.042 1.00 0.00 C ATOM 4 O ALA A 2 -10.913 8.882 0.344 1.00 0.00 O ATOM 5 CB ALA A 2 -12.679 10.147 -1.973 1.00 0.00 C ATOM 0 HA ALA A 2 -13.941 9.846 -0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.033 9.251 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.240 11.011 -2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.620 10.290 -2.185 1.00 0.00 H new ATOM 13 N SER A 3 -12.778 7.642 0.131 1.00 0.00 N ATOM 14 CA SER A 3 -12.136 6.419 0.603 1.00 0.00 C ATOM 15 C SER A 3 -12.411 5.265 -0.357 1.00 0.00 C ATOM 16 O SER A 3 -13.369 5.299 -1.127 1.00 0.00 O ATOM 17 CB SER A 3 -12.651 6.062 1.997 1.00 0.00 C ATOM 18 OG SER A 3 -14.026 5.714 1.915 1.00 0.00 O ATOM 0 H SER A 3 -13.762 7.538 -0.115 1.00 0.00 H new ATOM 0 HA SER A 3 -11.060 6.590 0.648 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.078 5.231 2.407 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.517 6.906 2.674 1.00 0.00 H new ATOM 0 HG SER A 3 -14.359 5.483 2.807 1.00 0.00 H new ATOM 24 N LEU A 4 -11.560 4.246 -0.303 1.00 0.00 N ATOM 25 CA LEU A 4 -11.715 3.083 -1.171 1.00 0.00 C ATOM 26 C LEU A 4 -13.097 2.461 -0.992 1.00 0.00 C ATOM 27 O LEU A 4 -13.698 1.974 -1.950 1.00 0.00 O ATOM 28 CB LEU A 4 -10.636 2.046 -0.840 1.00 0.00 C ATOM 29 CG LEU A 4 -10.707 0.876 -1.830 1.00 0.00 C ATOM 30 CD1 LEU A 4 -10.162 1.307 -3.195 1.00 0.00 C ATOM 31 CD2 LEU A 4 -9.868 -0.286 -1.294 1.00 0.00 C ATOM 0 H LEU A 4 -10.760 4.201 0.328 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.608 3.404 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.650 2.509 -0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.772 1.680 0.178 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.745 0.565 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.217 0.469 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.756 2.136 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.124 1.623 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.914 -1.121 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.833 0.035 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.259 -0.601 -0.326 1.00 0.00 H new ATOM 43 N TYR A 5 -13.591 2.473 0.241 1.00 0.00 N ATOM 44 CA TYR A 5 -14.900 1.899 0.536 1.00 0.00 C ATOM 45 C TYR A 5 -15.998 2.602 -0.257 1.00 0.00 C ATOM 46 O TYR A 5 -16.933 1.963 -0.740 1.00 0.00 O ATOM 47 CB TYR A 5 -15.199 2.030 2.031 1.00 0.00 C ATOM 48 CG TYR A 5 -14.167 1.265 2.826 1.00 0.00 C ATOM 49 CD1 TYR A 5 -14.329 -0.108 3.042 1.00 0.00 C ATOM 50 CD2 TYR A 5 -13.050 1.929 3.346 1.00 0.00 C ATOM 51 CE1 TYR A 5 -13.374 -0.818 3.779 1.00 0.00 C ATOM 52 CE2 TYR A 5 -12.095 1.220 4.084 1.00 0.00 C ATOM 53 CZ TYR A 5 -12.257 -0.154 4.301 1.00 0.00 C ATOM 54 OH TYR A 5 -11.316 -0.853 5.028 1.00 0.00 O ATOM 0 H TYR A 5 -13.110 2.871 1.048 1.00 0.00 H new ATOM 0 HA TYR A 5 -14.880 0.847 0.250 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -15.191 3.080 2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -16.196 1.647 2.247 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -15.191 -0.620 2.640 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -12.925 2.988 3.178 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -13.499 -1.878 3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -11.233 1.732 4.486 1.00 0.00 H new ATOM 0 HH TYR A 5 -10.605 -0.243 5.316 1.00 0.00 H new ATOM 64 N GLU A 6 -15.886 3.920 -0.379 1.00 0.00 N ATOM 65 CA GLU A 6 -16.885 4.697 -1.105 1.00 0.00 C ATOM 66 C GLU A 6 -16.885 4.352 -2.592 1.00 0.00 C ATOM 67 O GLU A 6 -17.938 4.322 -3.228 1.00 0.00 O ATOM 68 CB GLU A 6 -16.607 6.192 -0.929 1.00 0.00 C ATOM 69 CG GLU A 6 -16.816 6.585 0.537 1.00 0.00 C ATOM 70 CD GLU A 6 -18.273 6.371 0.936 1.00 0.00 C ATOM 71 OE1 GLU A 6 -19.100 6.262 0.046 1.00 0.00 O ATOM 72 OE2 GLU A 6 -18.540 6.320 2.125 1.00 0.00 O ATOM 0 H GLU A 6 -15.121 4.469 0.012 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.865 4.450 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.586 6.421 -1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.270 6.773 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.165 5.990 1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.540 7.629 0.684 1.00 0.00 H new ATOM 79 N LYS A 7 -15.702 4.102 -3.148 1.00 0.00 N ATOM 80 CA LYS A 7 -15.596 3.773 -4.566 1.00 0.00 C ATOM 81 C LYS A 7 -16.323 2.469 -4.879 1.00 0.00 C ATOM 82 O LYS A 7 -17.178 2.422 -5.763 1.00 0.00 O ATOM 83 CB LYS A 7 -14.123 3.638 -4.962 1.00 0.00 C ATOM 84 CG LYS A 7 -13.353 4.903 -4.567 1.00 0.00 C ATOM 85 CD LYS A 7 -13.853 6.099 -5.380 1.00 0.00 C ATOM 86 CE LYS A 7 -12.834 7.236 -5.289 1.00 0.00 C ATOM 87 NZ LYS A 7 -11.694 6.955 -6.207 1.00 0.00 N ATOM 0 H LYS A 7 -14.814 4.120 -2.646 1.00 0.00 H new ATOM 0 HA LYS A 7 -16.059 4.578 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.685 2.768 -4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.041 3.474 -6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.481 5.098 -3.502 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.286 4.757 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.000 5.810 -6.421 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.820 6.431 -5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.304 8.183 -5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.474 7.335 -4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.145 7.826 -6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.081 6.227 -5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.059 6.616 -7.120 1.00 0.00 H new ATOM 101 N LEU A 8 -15.975 1.411 -4.153 1.00 0.00 N ATOM 102 CA LEU A 8 -16.601 0.110 -4.369 1.00 0.00 C ATOM 103 C LEU A 8 -18.052 0.122 -3.895 1.00 0.00 C ATOM 104 O LEU A 8 -18.923 -0.478 -4.523 1.00 0.00 O ATOM 105 CB LEU A 8 -15.819 -0.976 -3.625 1.00 0.00 C ATOM 106 CG LEU A 8 -14.364 -0.983 -4.105 1.00 0.00 C ATOM 107 CD1 LEU A 8 -13.603 -2.109 -3.408 1.00 0.00 C ATOM 108 CD2 LEU A 8 -14.321 -1.208 -5.619 1.00 0.00 C ATOM 0 H LEU A 8 -15.270 1.427 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 8 -16.589 -0.105 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -15.857 -0.794 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.275 -1.951 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.903 -0.025 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.568 -2.114 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.629 -1.952 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.069 -3.065 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.285 -1.212 -5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.785 -2.165 -5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.863 -0.407 -6.121 1.00 0.00 H new ATOM 120 N GLY A 9 -18.305 0.814 -2.789 1.00 0.00 N ATOM 121 CA GLY A 9 -19.656 0.902 -2.246 1.00 0.00 C ATOM 122 C GLY A 9 -20.002 -0.331 -1.414 1.00 0.00 C ATOM 123 O GLY A 9 -21.170 -0.572 -1.106 1.00 0.00 O ATOM 0 H GLY A 9 -17.598 1.319 -2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -19.744 1.796 -1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -20.372 1.005 -3.061 1.00 0.00 H new ATOM 127 N GLY A 10 -18.986 -1.107 -1.051 1.00 0.00 N ATOM 128 CA GLY A 10 -19.207 -2.310 -0.254 1.00 0.00 C ATOM 129 C GLY A 10 -17.898 -2.830 0.332 1.00 0.00 C ATOM 130 O GLY A 10 -17.038 -3.330 -0.393 1.00 0.00 O ATOM 0 H GLY A 10 -18.011 -0.928 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -19.908 -2.092 0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -19.663 -3.082 -0.874 1.00 0.00 H new ATOM 134 N ALA A 11 -17.755 -2.707 1.649 1.00 0.00 N ATOM 135 CA ALA A 11 -16.546 -3.166 2.325 1.00 0.00 C ATOM 136 C ALA A 11 -16.404 -4.682 2.217 1.00 0.00 C ATOM 137 O ALA A 11 -15.294 -5.205 2.127 1.00 0.00 O ATOM 138 CB ALA A 11 -16.586 -2.762 3.799 1.00 0.00 C ATOM 0 H ALA A 11 -18.456 -2.296 2.265 1.00 0.00 H new ATOM 0 HA ALA A 11 -15.688 -2.699 1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.680 -3.109 4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.650 -1.677 3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -17.456 -3.212 4.276 1.00 0.00 H new ATOM 144 N ALA A 12 -17.533 -5.383 2.231 1.00 0.00 N ATOM 145 CA ALA A 12 -17.514 -6.838 2.138 1.00 0.00 C ATOM 146 C ALA A 12 -16.894 -7.283 0.819 1.00 0.00 C ATOM 147 O ALA A 12 -16.205 -8.301 0.759 1.00 0.00 O ATOM 148 CB ALA A 12 -18.938 -7.386 2.246 1.00 0.00 C ATOM 0 H ALA A 12 -18.464 -4.972 2.305 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.911 -7.228 2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -18.916 -8.473 2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.369 -7.093 3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -19.546 -6.982 1.436 1.00 0.00 H new ATOM 154 N ALA A 13 -17.145 -6.517 -0.236 1.00 0.00 N ATOM 155 CA ALA A 13 -16.607 -6.843 -1.551 1.00 0.00 C ATOM 156 C ALA A 13 -15.082 -6.765 -1.550 1.00 0.00 C ATOM 157 O ALA A 13 -14.415 -7.496 -2.283 1.00 0.00 O ATOM 158 CB ALA A 13 -17.168 -5.881 -2.599 1.00 0.00 C ATOM 0 H ALA A 13 -17.714 -5.671 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.903 -7.863 -1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.761 -6.132 -3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.254 -5.965 -2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.889 -4.859 -2.341 1.00 0.00 H new ATOM 164 N VAL A 14 -14.537 -5.871 -0.731 1.00 0.00 N ATOM 165 CA VAL A 14 -13.087 -5.706 -0.655 1.00 0.00 C ATOM 166 C VAL A 14 -12.417 -6.999 -0.204 1.00 0.00 C ATOM 167 O VAL A 14 -11.392 -7.403 -0.753 1.00 0.00 O ATOM 168 CB VAL A 14 -12.740 -4.588 0.329 1.00 0.00 C ATOM 169 CG1 VAL A 14 -11.221 -4.509 0.497 1.00 0.00 C ATOM 170 CG2 VAL A 14 -13.261 -3.254 -0.206 1.00 0.00 C ATOM 0 H VAL A 14 -15.069 -5.255 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.722 -5.448 -1.649 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.203 -4.799 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.973 -3.712 1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.847 -5.459 0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.759 -4.300 -0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -13.013 -2.458 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -12.799 -3.043 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -14.343 -3.308 -0.326 1.00 0.00 H new ATOM 180 N ASP A 15 -12.997 -7.641 0.804 1.00 0.00 N ATOM 181 CA ASP A 15 -12.439 -8.883 1.324 1.00 0.00 C ATOM 182 C ASP A 15 -12.376 -9.950 0.235 1.00 0.00 C ATOM 183 O ASP A 15 -11.397 -10.690 0.136 1.00 0.00 O ATOM 184 CB ASP A 15 -13.293 -9.390 2.487 1.00 0.00 C ATOM 185 CG ASP A 15 -12.604 -10.570 3.163 1.00 0.00 C ATOM 186 OD1 ASP A 15 -11.754 -10.331 4.004 1.00 0.00 O ATOM 187 OD2 ASP A 15 -12.937 -11.695 2.829 1.00 0.00 O ATOM 0 H ASP A 15 -13.846 -7.325 1.274 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.426 -8.682 1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.452 -8.589 3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.275 -9.691 2.123 1.00 0.00 H new ATOM 192 N LEU A 16 -13.426 -10.027 -0.577 1.00 0.00 N ATOM 193 CA LEU A 16 -13.475 -11.013 -1.651 1.00 0.00 C ATOM 194 C LEU A 16 -12.368 -10.755 -2.670 1.00 0.00 C ATOM 195 O LEU A 16 -11.711 -11.685 -3.137 1.00 0.00 O ATOM 196 CB LEU A 16 -14.839 -10.957 -2.346 1.00 0.00 C ATOM 197 CG LEU A 16 -14.954 -12.098 -3.366 1.00 0.00 C ATOM 198 CD1 LEU A 16 -15.137 -13.436 -2.639 1.00 0.00 C ATOM 199 CD2 LEU A 16 -16.160 -11.846 -4.272 1.00 0.00 C ATOM 0 H LEU A 16 -14.247 -9.425 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.327 -12.003 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.637 -11.036 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.963 -9.997 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.043 -12.137 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.218 -14.240 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.279 -13.619 -1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.045 -13.402 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.245 -12.655 -4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.066 -11.804 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -16.029 -10.900 -4.797 1.00 0.00 H new ATOM 211 N ALA A 17 -12.166 -9.485 -3.009 1.00 0.00 N ATOM 212 CA ALA A 17 -11.135 -9.117 -3.972 1.00 0.00 C ATOM 213 C ALA A 17 -9.745 -9.311 -3.377 1.00 0.00 C ATOM 214 O ALA A 17 -8.827 -9.778 -4.052 1.00 0.00 O ATOM 215 CB ALA A 17 -11.311 -7.656 -4.393 1.00 0.00 C ATOM 0 H ALA A 17 -12.698 -8.700 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.236 -9.763 -4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.537 -7.389 -5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.292 -7.525 -4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.230 -7.013 -3.517 1.00 0.00 H new ATOM 221 N VAL A 18 -9.596 -8.942 -2.108 1.00 0.00 N ATOM 222 CA VAL A 18 -8.312 -9.071 -1.429 1.00 0.00 C ATOM 223 C VAL A 18 -7.903 -10.535 -1.302 1.00 0.00 C ATOM 224 O VAL A 18 -6.730 -10.875 -1.461 1.00 0.00 O ATOM 225 CB VAL A 18 -8.396 -8.442 -0.036 1.00 0.00 C ATOM 226 CG1 VAL A 18 -7.105 -8.729 0.732 1.00 0.00 C ATOM 227 CG2 VAL A 18 -8.580 -6.929 -0.174 1.00 0.00 C ATOM 0 H VAL A 18 -10.344 -8.554 -1.533 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.560 -8.552 -2.024 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.242 -8.866 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.165 -8.281 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.970 -9.806 0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.259 -8.304 0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.640 -6.478 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.732 -6.507 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.499 -6.723 -0.723 1.00 0.00 H new ATOM 237 N GLU A 19 -8.870 -11.397 -1.004 1.00 0.00 N ATOM 238 CA GLU A 19 -8.585 -12.819 -0.849 1.00 0.00 C ATOM 239 C GLU A 19 -7.994 -13.399 -2.132 1.00 0.00 C ATOM 240 O GLU A 19 -7.056 -14.194 -2.087 1.00 0.00 O ATOM 241 CB GLU A 19 -9.868 -13.572 -0.490 1.00 0.00 C ATOM 242 CG GLU A 19 -9.534 -15.031 -0.168 1.00 0.00 C ATOM 243 CD GLU A 19 -8.738 -15.108 1.131 1.00 0.00 C ATOM 244 OE1 GLU A 19 -8.864 -14.201 1.936 1.00 0.00 O ATOM 245 OE2 GLU A 19 -8.012 -16.074 1.301 1.00 0.00 O ATOM 0 H GLU A 19 -9.847 -11.140 -0.866 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.856 -12.935 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.350 -13.101 0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.574 -13.524 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.452 -15.612 -0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.959 -15.470 -0.983 1.00 0.00 H new ATOM 252 N LYS A 20 -8.544 -12.996 -3.273 1.00 0.00 N ATOM 253 CA LYS A 20 -8.051 -13.487 -4.555 1.00 0.00 C ATOM 254 C LYS A 20 -6.603 -13.062 -4.771 1.00 0.00 C ATOM 255 O LYS A 20 -5.772 -13.852 -5.218 1.00 0.00 O ATOM 256 CB LYS A 20 -8.919 -12.947 -5.692 1.00 0.00 C ATOM 257 CG LYS A 20 -10.338 -13.507 -5.565 1.00 0.00 C ATOM 258 CD LYS A 20 -11.175 -13.051 -6.762 1.00 0.00 C ATOM 259 CE LYS A 20 -12.623 -13.509 -6.577 1.00 0.00 C ATOM 260 NZ LYS A 20 -13.136 -14.065 -7.862 1.00 0.00 N ATOM 0 H LYS A 20 -9.322 -12.339 -3.337 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.101 -14.576 -4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.943 -11.858 -5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.491 -13.228 -6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.308 -14.596 -5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.794 -13.164 -4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.135 -11.966 -6.855 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.766 -13.465 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.680 -14.264 -5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.243 -12.671 -6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.859 -14.786 -7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.555 -13.300 -8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.352 -14.497 -8.391 1.00 0.00 H new ATOM 274 N PHE A 21 -6.309 -11.806 -4.446 1.00 0.00 N ATOM 275 CA PHE A 21 -4.959 -11.278 -4.602 1.00 0.00 C ATOM 276 C PHE A 21 -3.980 -12.005 -3.686 1.00 0.00 C ATOM 277 O PHE A 21 -2.868 -12.341 -4.092 1.00 0.00 O ATOM 278 CB PHE A 21 -4.947 -9.780 -4.291 1.00 0.00 C ATOM 279 CG PHE A 21 -3.547 -9.238 -4.447 1.00 0.00 C ATOM 280 CD1 PHE A 21 -2.997 -9.062 -5.723 1.00 0.00 C ATOM 281 CD2 PHE A 21 -2.799 -8.903 -3.312 1.00 0.00 C ATOM 282 CE1 PHE A 21 -1.699 -8.553 -5.862 1.00 0.00 C ATOM 283 CE2 PHE A 21 -1.503 -8.395 -3.452 1.00 0.00 C ATOM 284 CZ PHE A 21 -0.953 -8.220 -4.726 1.00 0.00 C ATOM 0 H PHE A 21 -6.985 -11.138 -4.075 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.646 -11.437 -5.634 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.627 -9.254 -4.961 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.303 -9.607 -3.275 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.573 -9.319 -6.600 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.223 -9.037 -2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.274 -8.418 -6.846 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.927 -8.138 -2.576 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.048 -7.828 -4.833 1.00 0.00 H new ATOM 294 N TYR A 22 -4.399 -12.243 -2.447 1.00 0.00 N ATOM 295 CA TYR A 22 -3.544 -12.927 -1.485 1.00 0.00 C ATOM 296 C TYR A 22 -3.133 -14.299 -2.007 1.00 0.00 C ATOM 297 O TYR A 22 -1.978 -14.704 -1.870 1.00 0.00 O ATOM 298 CB TYR A 22 -4.274 -13.088 -0.152 1.00 0.00 C ATOM 299 CG TYR A 22 -3.351 -13.744 0.847 1.00 0.00 C ATOM 300 CD1 TYR A 22 -2.441 -12.968 1.574 1.00 0.00 C ATOM 301 CD2 TYR A 22 -3.401 -15.130 1.040 1.00 0.00 C ATOM 302 CE1 TYR A 22 -1.582 -13.577 2.497 1.00 0.00 C ATOM 303 CE2 TYR A 22 -2.542 -15.739 1.963 1.00 0.00 C ATOM 304 CZ TYR A 22 -1.633 -14.963 2.691 1.00 0.00 C ATOM 305 OH TYR A 22 -0.786 -15.563 3.600 1.00 0.00 O ATOM 0 H TYR A 22 -5.316 -11.975 -2.089 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.649 -12.323 -1.338 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.597 -12.115 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.171 -13.692 -0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.401 -11.899 1.423 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.102 -15.729 0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.881 -12.978 3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.581 -16.808 2.113 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.951 -16.529 3.613 1.00 0.00 H new ATOM 315 N GLY A 23 -4.081 -15.012 -2.605 1.00 0.00 N ATOM 316 CA GLY A 23 -3.794 -16.337 -3.141 1.00 0.00 C ATOM 317 C GLY A 23 -2.671 -16.272 -4.169 1.00 0.00 C ATOM 318 O GLY A 23 -1.750 -17.088 -4.148 1.00 0.00 O ATOM 0 H GLY A 23 -5.044 -14.699 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.513 -17.009 -2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.691 -16.750 -3.601 1.00 0.00 H new ATOM 322 N LYS A 24 -2.749 -15.291 -5.061 1.00 0.00 N ATOM 323 CA LYS A 24 -1.728 -15.123 -6.088 1.00 0.00 C ATOM 324 C LYS A 24 -0.374 -14.840 -5.444 1.00 0.00 C ATOM 325 O LYS A 24 0.655 -15.353 -5.885 1.00 0.00 O ATOM 326 CB LYS A 24 -2.114 -13.970 -7.021 1.00 0.00 C ATOM 327 CG LYS A 24 -1.128 -13.879 -8.193 1.00 0.00 C ATOM 328 CD LYS A 24 -1.467 -14.938 -9.248 1.00 0.00 C ATOM 329 CE LYS A 24 -0.666 -14.666 -10.523 1.00 0.00 C ATOM 330 NZ LYS A 24 0.166 -15.857 -10.853 1.00 0.00 N ATOM 0 H LYS A 24 -3.503 -14.605 -5.094 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.655 -16.043 -6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.125 -14.122 -7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.118 -13.031 -6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.170 -12.885 -8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.109 -14.025 -7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.236 -15.933 -8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.535 -14.920 -9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.342 -14.442 -11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.030 -13.792 -10.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.710 -15.671 -11.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.820 -16.051 -10.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.451 -16.681 -11.002 1.00 0.00 H new ATOM 344 N VAL A 25 -0.385 -14.019 -4.399 1.00 0.00 N ATOM 345 CA VAL A 25 0.844 -13.671 -3.697 1.00 0.00 C ATOM 346 C VAL A 25 1.483 -14.915 -3.088 1.00 0.00 C ATOM 347 O VAL A 25 2.701 -15.086 -3.134 1.00 0.00 O ATOM 348 CB VAL A 25 0.542 -12.655 -2.592 1.00 0.00 C ATOM 349 CG1 VAL A 25 1.791 -12.434 -1.738 1.00 0.00 C ATOM 350 CG2 VAL A 25 0.118 -11.329 -3.227 1.00 0.00 C ATOM 0 H VAL A 25 -1.227 -13.584 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 25 1.540 -13.233 -4.413 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.262 -13.034 -1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.572 -11.710 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.095 -13.378 -1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.598 -12.056 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.098 -10.603 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.924 -10.953 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.774 -11.485 -3.833 1.00 0.00 H new ATOM 360 N LEU A 26 0.650 -15.781 -2.522 1.00 0.00 N ATOM 361 CA LEU A 26 1.141 -17.010 -1.909 1.00 0.00 C ATOM 362 C LEU A 26 1.897 -17.850 -2.934 1.00 0.00 C ATOM 363 O LEU A 26 2.892 -18.497 -2.609 1.00 0.00 O ATOM 364 CB LEU A 26 -0.032 -17.817 -1.349 1.00 0.00 C ATOM 365 CG LEU A 26 0.496 -19.039 -0.587 1.00 0.00 C ATOM 366 CD1 LEU A 26 1.200 -18.590 0.696 1.00 0.00 C ATOM 367 CD2 LEU A 26 -0.676 -19.955 -0.228 1.00 0.00 C ATOM 0 H LEU A 26 -0.361 -15.657 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 26 1.820 -16.747 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.630 -17.193 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.686 -18.137 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 26 1.206 -19.576 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.572 -19.463 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.035 -17.936 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.495 -18.050 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.305 -20.825 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.384 -19.412 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.175 -20.281 -1.140 1.00 0.00 H new ATOM 379 N ALA A 27 1.412 -17.836 -4.171 1.00 0.00 N ATOM 380 CA ALA A 27 2.043 -18.604 -5.237 1.00 0.00 C ATOM 381 C ALA A 27 3.475 -18.130 -5.477 1.00 0.00 C ATOM 382 O ALA A 27 4.354 -18.930 -5.797 1.00 0.00 O ATOM 383 CB ALA A 27 1.235 -18.465 -6.528 1.00 0.00 C ATOM 0 H ALA A 27 0.590 -17.305 -4.459 1.00 0.00 H new ATOM 0 HA ALA A 27 2.070 -19.650 -4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.713 -19.042 -7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.224 -18.839 -6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.192 -17.415 -6.819 1.00 0.00 H new ATOM 389 N ASP A 28 3.704 -16.829 -5.325 1.00 0.00 N ATOM 390 CA ASP A 28 5.039 -16.275 -5.534 1.00 0.00 C ATOM 391 C ASP A 28 5.890 -16.422 -4.275 1.00 0.00 C ATOM 392 O ASP A 28 5.730 -15.674 -3.311 1.00 0.00 O ATOM 393 CB ASP A 28 4.937 -14.797 -5.917 1.00 0.00 C ATOM 394 CG ASP A 28 6.324 -14.242 -6.219 1.00 0.00 C ATOM 395 OD1 ASP A 28 7.265 -15.017 -6.217 1.00 0.00 O ATOM 396 OD2 ASP A 28 6.424 -13.047 -6.450 1.00 0.00 O ATOM 0 H ASP A 28 2.994 -16.146 -5.061 1.00 0.00 H new ATOM 0 HA ASP A 28 5.516 -16.828 -6.343 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.292 -14.682 -6.788 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.479 -14.233 -5.105 1.00 0.00 H new ATOM 401 N GLU A 29 6.795 -17.394 -4.296 1.00 0.00 N ATOM 402 CA GLU A 29 7.674 -17.642 -3.159 1.00 0.00 C ATOM 403 C GLU A 29 8.731 -16.546 -3.029 1.00 0.00 C ATOM 404 O GLU A 29 9.226 -16.276 -1.935 1.00 0.00 O ATOM 405 CB GLU A 29 8.362 -18.999 -3.322 1.00 0.00 C ATOM 406 CG GLU A 29 9.155 -19.329 -2.056 1.00 0.00 C ATOM 407 CD GLU A 29 8.199 -19.580 -0.894 1.00 0.00 C ATOM 408 OE1 GLU A 29 7.064 -19.945 -1.155 1.00 0.00 O ATOM 409 OE2 GLU A 29 8.615 -19.403 0.239 1.00 0.00 O ATOM 0 H GLU A 29 6.939 -18.022 -5.086 1.00 0.00 H new ATOM 0 HA GLU A 29 7.066 -17.642 -2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.619 -19.774 -3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.027 -18.979 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.775 -20.209 -2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.828 -18.507 -1.813 1.00 0.00 H new ATOM 416 N ARG A 30 9.093 -15.938 -4.155 1.00 0.00 N ATOM 417 CA ARG A 30 10.116 -14.895 -4.157 1.00 0.00 C ATOM 418 C ARG A 30 9.795 -13.783 -3.161 1.00 0.00 C ATOM 419 O ARG A 30 10.682 -13.297 -2.460 1.00 0.00 O ATOM 420 CB ARG A 30 10.244 -14.296 -5.559 1.00 0.00 C ATOM 421 CG ARG A 30 10.747 -15.367 -6.529 1.00 0.00 C ATOM 422 CD ARG A 30 11.003 -14.735 -7.900 1.00 0.00 C ATOM 423 NE ARG A 30 9.794 -14.084 -8.389 1.00 0.00 N ATOM 424 CZ ARG A 30 8.804 -14.788 -8.930 1.00 0.00 C ATOM 425 NH1 ARG A 30 8.905 -16.084 -9.029 1.00 0.00 N ATOM 426 NH2 ARG A 30 7.732 -14.181 -9.361 1.00 0.00 N ATOM 0 H ARG A 30 8.697 -16.147 -5.072 1.00 0.00 H new ATOM 0 HA ARG A 30 11.057 -15.357 -3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.279 -13.913 -5.892 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.933 -13.452 -5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.664 -15.817 -6.147 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.012 -16.167 -6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.812 -14.008 -7.828 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.324 -15.500 -8.607 1.00 0.00 H new ATOM 0 HE ARG A 30 9.706 -13.071 -8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.743 -16.557 -8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.146 -16.624 -9.444 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.654 -13.167 -9.283 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.972 -14.721 -9.776 1.00 0.00 H new ATOM 440 N VAL A 31 8.531 -13.377 -3.098 1.00 0.00 N ATOM 441 CA VAL A 31 8.137 -12.316 -2.177 1.00 0.00 C ATOM 442 C VAL A 31 7.985 -12.856 -0.758 1.00 0.00 C ATOM 443 O VAL A 31 8.208 -12.138 0.216 1.00 0.00 O ATOM 444 CB VAL A 31 6.823 -11.679 -2.634 1.00 0.00 C ATOM 445 CG1 VAL A 31 7.018 -11.043 -4.012 1.00 0.00 C ATOM 446 CG2 VAL A 31 5.737 -12.751 -2.721 1.00 0.00 C ATOM 0 H VAL A 31 7.773 -13.759 -3.663 1.00 0.00 H new ATOM 0 HA VAL A 31 8.921 -11.559 -2.177 1.00 0.00 H new ATOM 0 HB VAL A 31 6.523 -10.915 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.083 -10.589 -4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.792 -10.278 -3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.319 -11.809 -4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.802 -12.296 -3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.037 -13.516 -3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.597 -13.207 -1.741 1.00 0.00 H new ATOM 456 N ASN A 32 7.601 -14.123 -0.651 1.00 0.00 N ATOM 457 CA ASN A 32 7.417 -14.754 0.653 1.00 0.00 C ATOM 458 C ASN A 32 8.696 -14.681 1.483 1.00 0.00 C ATOM 459 O ASN A 32 8.645 -14.610 2.711 1.00 0.00 O ATOM 460 CB ASN A 32 7.011 -16.218 0.473 1.00 0.00 C ATOM 461 CG ASN A 32 5.644 -16.303 -0.198 1.00 0.00 C ATOM 462 OD1 ASN A 32 4.893 -15.328 -0.205 1.00 0.00 O ATOM 463 ND2 ASN A 32 5.274 -17.420 -0.764 1.00 0.00 N ATOM 0 H ASN A 32 7.411 -14.732 -1.447 1.00 0.00 H new ATOM 0 HA ASN A 32 6.629 -14.216 1.180 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.754 -16.738 -0.131 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.981 -16.717 1.442 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.361 -17.486 -1.213 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.898 -18.227 -0.757 1.00 0.00 H new ATOM 470 N ARG A 33 9.841 -14.712 0.808 1.00 0.00 N ATOM 471 CA ARG A 33 11.125 -14.663 1.500 1.00 0.00 C ATOM 472 C ARG A 33 11.200 -13.457 2.434 1.00 0.00 C ATOM 473 O ARG A 33 11.717 -13.555 3.547 1.00 0.00 O ATOM 474 CB ARG A 33 12.260 -14.587 0.477 1.00 0.00 C ATOM 475 CG ARG A 33 12.281 -15.869 -0.357 1.00 0.00 C ATOM 476 CD ARG A 33 13.436 -15.806 -1.358 1.00 0.00 C ATOM 477 NE ARG A 33 14.714 -15.884 -0.659 1.00 0.00 N ATOM 478 CZ ARG A 33 15.184 -17.044 -0.213 1.00 0.00 C ATOM 479 NH1 ARG A 33 14.498 -18.139 -0.395 1.00 0.00 N ATOM 480 NH2 ARG A 33 16.331 -17.086 0.409 1.00 0.00 N ATOM 0 H ARG A 33 9.907 -14.770 -0.208 1.00 0.00 H new ATOM 0 HA ARG A 33 11.225 -15.569 2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.123 -13.721 -0.171 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.215 -14.456 0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.395 -16.737 0.293 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.335 -15.988 -0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.353 -16.626 -2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.382 -14.879 -1.929 1.00 0.00 H new ATOM 0 HE ARG A 33 15.256 -15.033 -0.510 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.601 -18.104 -0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.859 -19.030 -0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.865 -16.229 0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.693 -17.976 0.752 1.00 0.00 H new ATOM 494 N PHE A 34 10.685 -12.321 1.976 1.00 0.00 N ATOM 495 CA PHE A 34 10.703 -11.103 2.782 1.00 0.00 C ATOM 496 C PHE A 34 9.760 -11.218 3.978 1.00 0.00 C ATOM 497 O PHE A 34 10.011 -10.637 5.033 1.00 0.00 O ATOM 498 CB PHE A 34 10.296 -9.903 1.925 1.00 0.00 C ATOM 499 CG PHE A 34 11.369 -9.632 0.897 1.00 0.00 C ATOM 500 CD1 PHE A 34 12.468 -8.830 1.226 1.00 0.00 C ATOM 501 CD2 PHE A 34 11.262 -10.180 -0.387 1.00 0.00 C ATOM 502 CE1 PHE A 34 13.463 -8.578 0.273 1.00 0.00 C ATOM 503 CE2 PHE A 34 12.256 -9.928 -1.340 1.00 0.00 C ATOM 504 CZ PHE A 34 13.356 -9.127 -1.010 1.00 0.00 C ATOM 0 H PHE A 34 10.253 -12.217 1.058 1.00 0.00 H new ATOM 0 HA PHE A 34 11.718 -10.962 3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.345 -10.101 1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.151 -9.025 2.555 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.549 -8.405 2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.413 -10.797 -0.642 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.312 -7.961 0.528 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.174 -10.352 -2.330 1.00 0.00 H new ATOM 0 HZ PHE A 34 14.122 -8.933 -1.746 1.00 0.00 H new ATOM 514 N PHE A 35 8.668 -11.955 3.801 1.00 0.00 N ATOM 515 CA PHE A 35 7.687 -12.120 4.871 1.00 0.00 C ATOM 516 C PHE A 35 8.065 -13.270 5.801 1.00 0.00 C ATOM 517 O PHE A 35 7.274 -13.667 6.657 1.00 0.00 O ATOM 518 CB PHE A 35 6.302 -12.375 4.275 1.00 0.00 C ATOM 519 CG PHE A 35 5.858 -11.159 3.499 1.00 0.00 C ATOM 520 CD1 PHE A 35 5.329 -10.052 4.173 1.00 0.00 C ATOM 521 CD2 PHE A 35 5.974 -11.139 2.104 1.00 0.00 C ATOM 522 CE1 PHE A 35 4.918 -8.925 3.453 1.00 0.00 C ATOM 523 CE2 PHE A 35 5.563 -10.011 1.383 1.00 0.00 C ATOM 524 CZ PHE A 35 5.034 -8.904 2.058 1.00 0.00 C ATOM 0 H PHE A 35 8.440 -12.444 2.935 1.00 0.00 H new ATOM 0 HA PHE A 35 7.672 -11.200 5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.330 -13.247 3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.587 -12.595 5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.238 -10.068 5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.381 -11.994 1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.511 -8.071 3.974 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.654 -9.995 0.307 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.716 -8.034 1.503 1.00 0.00 H new ATOM 534 N VAL A 36 9.271 -13.802 5.634 1.00 0.00 N ATOM 535 CA VAL A 36 9.725 -14.903 6.476 1.00 0.00 C ATOM 536 C VAL A 36 9.675 -14.504 7.947 1.00 0.00 C ATOM 537 O VAL A 36 9.319 -15.309 8.807 1.00 0.00 O ATOM 538 CB VAL A 36 11.154 -15.300 6.101 1.00 0.00 C ATOM 539 CG1 VAL A 36 11.700 -16.281 7.140 1.00 0.00 C ATOM 540 CG2 VAL A 36 11.149 -15.968 4.726 1.00 0.00 C ATOM 0 H VAL A 36 9.944 -13.494 4.933 1.00 0.00 H new ATOM 0 HA VAL A 36 9.062 -15.753 6.316 1.00 0.00 H new ATOM 0 HB VAL A 36 11.784 -14.411 6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.718 -16.564 6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.700 -15.808 8.122 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.071 -17.171 7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.166 -16.252 4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.520 -16.857 4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.758 -15.271 3.984 1.00 0.00 H new ATOM 550 N ASN A 37 10.030 -13.255 8.229 1.00 0.00 N ATOM 551 CA ASN A 37 10.020 -12.757 9.600 1.00 0.00 C ATOM 552 C ASN A 37 8.629 -12.255 9.974 1.00 0.00 C ATOM 553 O ASN A 37 8.430 -11.690 11.050 1.00 0.00 O ATOM 554 CB ASN A 37 11.033 -11.623 9.752 1.00 0.00 C ATOM 555 CG ASN A 37 12.440 -12.138 9.464 1.00 0.00 C ATOM 556 OD1 ASN A 37 12.675 -13.346 9.479 1.00 0.00 O ATOM 557 ND2 ASN A 37 13.394 -11.288 9.200 1.00 0.00 N ATOM 0 H ASN A 37 10.327 -12.572 7.531 1.00 0.00 H new ATOM 0 HA ASN A 37 10.291 -13.575 10.267 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.787 -10.811 9.068 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.986 -11.215 10.762 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.337 -11.624 9.005 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.197 -10.287 9.188 1.00 0.00 H new ATOM 564 N THR A 38 7.668 -12.465 9.078 1.00 0.00 N ATOM 565 CA THR A 38 6.298 -12.028 9.323 1.00 0.00 C ATOM 566 C THR A 38 5.345 -13.220 9.293 1.00 0.00 C ATOM 567 O THR A 38 5.503 -14.132 8.483 1.00 0.00 O ATOM 568 CB THR A 38 5.877 -11.011 8.261 1.00 0.00 C ATOM 569 OG1 THR A 38 6.812 -9.941 8.234 1.00 0.00 O ATOM 570 CG2 THR A 38 4.486 -10.469 8.595 1.00 0.00 C ATOM 0 H THR A 38 7.812 -12.932 8.182 1.00 0.00 H new ATOM 0 HA THR A 38 6.254 -11.564 10.308 1.00 0.00 H new ATOM 0 HB THR A 38 5.851 -11.494 7.284 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.544 -9.290 7.553 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.186 -9.744 7.838 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.770 -11.291 8.614 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.509 -9.985 9.571 1.00 0.00 H new ATOM 578 N ASP A 39 4.355 -13.208 10.183 1.00 0.00 N ATOM 579 CA ASP A 39 3.388 -14.299 10.244 1.00 0.00 C ATOM 580 C ASP A 39 2.375 -14.188 9.107 1.00 0.00 C ATOM 581 O ASP A 39 2.236 -13.132 8.488 1.00 0.00 O ATOM 582 CB ASP A 39 2.658 -14.279 11.590 1.00 0.00 C ATOM 583 CG ASP A 39 1.826 -13.007 11.716 1.00 0.00 C ATOM 584 OD1 ASP A 39 1.640 -12.342 10.711 1.00 0.00 O ATOM 585 OD2 ASP A 39 1.387 -12.718 12.817 1.00 0.00 O ATOM 0 H ASP A 39 4.203 -12.464 10.864 1.00 0.00 H new ATOM 0 HA ASP A 39 3.927 -15.240 10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.014 -15.154 11.676 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.380 -14.333 12.405 1.00 0.00 H new ATOM 590 N MET A 40 1.676 -15.285 8.836 1.00 0.00 N ATOM 591 CA MET A 40 0.682 -15.309 7.768 1.00 0.00 C ATOM 592 C MET A 40 -0.444 -14.312 8.035 1.00 0.00 C ATOM 593 O MET A 40 -0.983 -13.712 7.105 1.00 0.00 O ATOM 594 CB MET A 40 0.093 -16.714 7.635 1.00 0.00 C ATOM 595 CG MET A 40 1.174 -17.681 7.147 1.00 0.00 C ATOM 596 SD MET A 40 0.435 -19.304 6.840 1.00 0.00 S ATOM 597 CE MET A 40 1.962 -20.171 6.402 1.00 0.00 C ATOM 0 H MET A 40 1.778 -16.167 9.339 1.00 0.00 H new ATOM 0 HA MET A 40 1.181 -15.027 6.841 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.300 -17.047 8.596 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.743 -16.704 6.935 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.633 -17.300 6.235 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.966 -17.765 7.892 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.736 -21.212 6.170 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.414 -19.695 5.532 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.657 -20.129 7.240 1.00 0.00 H new ATOM 607 N ALA A 41 -0.808 -14.150 9.304 1.00 0.00 N ATOM 608 CA ALA A 41 -1.885 -13.233 9.663 1.00 0.00 C ATOM 609 C ALA A 41 -1.534 -11.796 9.285 1.00 0.00 C ATOM 610 O ALA A 41 -2.248 -11.157 8.513 1.00 0.00 O ATOM 611 CB ALA A 41 -2.157 -13.312 11.166 1.00 0.00 C ATOM 0 H ALA A 41 -0.379 -14.635 10.092 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.777 -13.528 9.111 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.962 -12.625 11.427 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.448 -14.329 11.430 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.255 -13.039 11.714 1.00 0.00 H new ATOM 617 N LYS A 42 -0.430 -11.295 9.828 1.00 0.00 N ATOM 618 CA LYS A 42 0.001 -9.933 9.533 1.00 0.00 C ATOM 619 C LYS A 42 0.260 -9.766 8.039 1.00 0.00 C ATOM 620 O LYS A 42 0.029 -8.698 7.473 1.00 0.00 O ATOM 621 CB LYS A 42 1.276 -9.600 10.311 1.00 0.00 C ATOM 622 CG LYS A 42 1.634 -8.127 10.093 1.00 0.00 C ATOM 623 CD LYS A 42 2.938 -7.803 10.823 1.00 0.00 C ATOM 624 CE LYS A 42 3.206 -6.299 10.749 1.00 0.00 C ATOM 625 NZ LYS A 42 4.552 -6.006 11.316 1.00 0.00 N ATOM 0 H LYS A 42 0.178 -11.805 10.469 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.794 -9.251 9.835 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.129 -9.797 11.373 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.095 -10.238 9.979 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.741 -7.922 9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.831 -7.489 10.461 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.873 -8.120 11.864 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.765 -8.353 10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.154 -5.960 9.714 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.440 -5.755 11.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.451 -5.675 12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.131 -6.870 11.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.015 -5.268 10.748 1.00 0.00 H new ATOM 639 N GLN A 43 0.750 -10.830 7.412 1.00 0.00 N ATOM 640 CA GLN A 43 1.051 -10.799 5.985 1.00 0.00 C ATOM 641 C GLN A 43 -0.167 -10.358 5.178 1.00 0.00 C ATOM 642 O GLN A 43 -0.048 -9.571 4.239 1.00 0.00 O ATOM 643 CB GLN A 43 1.491 -12.191 5.529 1.00 0.00 C ATOM 644 CG GLN A 43 2.012 -12.124 4.093 1.00 0.00 C ATOM 645 CD GLN A 43 2.354 -13.526 3.603 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.655 -13.716 2.424 1.00 0.00 O ATOM 647 NE2 GLN A 43 2.327 -14.524 4.441 1.00 0.00 N ATOM 0 H GLN A 43 0.947 -11.721 7.867 1.00 0.00 H new ATOM 0 HA GLN A 43 1.853 -10.080 5.816 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.269 -12.572 6.191 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.653 -12.886 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.260 -11.675 3.444 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.895 -11.487 4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.077 -14.364 5.417 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.556 -15.465 4.121 1.00 0.00 H new ATOM 656 N LYS A 44 -1.338 -10.866 5.547 1.00 0.00 N ATOM 657 CA LYS A 44 -2.567 -10.510 4.845 1.00 0.00 C ATOM 658 C LYS A 44 -2.830 -9.011 4.951 1.00 0.00 C ATOM 659 O LYS A 44 -3.327 -8.390 4.011 1.00 0.00 O ATOM 660 CB LYS A 44 -3.753 -11.281 5.433 1.00 0.00 C ATOM 661 CG LYS A 44 -3.576 -12.778 5.166 1.00 0.00 C ATOM 662 CD LYS A 44 -4.812 -13.537 5.656 1.00 0.00 C ATOM 663 CE LYS A 44 -4.583 -15.041 5.495 1.00 0.00 C ATOM 664 NZ LYS A 44 -5.753 -15.788 6.040 1.00 0.00 N ATOM 0 H LYS A 44 -1.463 -11.519 6.320 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.449 -10.775 3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.823 -11.098 6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.684 -10.930 4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.428 -12.953 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.685 -13.146 5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.008 -13.298 6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.690 -13.229 5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.441 -15.286 4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.674 -15.338 6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.595 -16.810 5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.869 -15.563 7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.612 -15.513 5.523 1.00 0.00 H new ATOM 678 N GLN A 45 -2.503 -8.439 6.104 1.00 0.00 N ATOM 679 CA GLN A 45 -2.715 -7.013 6.328 1.00 0.00 C ATOM 680 C GLN A 45 -1.913 -6.174 5.338 1.00 0.00 C ATOM 681 O GLN A 45 -2.404 -5.168 4.826 1.00 0.00 O ATOM 682 CB GLN A 45 -2.311 -6.644 7.757 1.00 0.00 C ATOM 683 CG GLN A 45 -2.732 -5.203 8.051 1.00 0.00 C ATOM 684 CD GLN A 45 -2.369 -4.832 9.484 1.00 0.00 C ATOM 685 OE1 GLN A 45 -1.944 -5.689 10.260 1.00 0.00 O ATOM 686 NE2 GLN A 45 -2.513 -3.599 9.885 1.00 0.00 N ATOM 0 H GLN A 45 -2.093 -8.937 6.894 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.774 -6.802 6.179 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.783 -7.324 8.467 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.233 -6.752 7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.240 -4.523 7.356 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.806 -5.092 7.899 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.865 -2.891 9.241 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.273 -3.343 10.843 1.00 0.00 H new ATOM 695 N HIS A 46 -0.676 -6.585 5.072 1.00 0.00 N ATOM 696 CA HIS A 46 0.175 -5.850 4.142 1.00 0.00 C ATOM 697 C HIS A 46 -0.452 -5.807 2.752 1.00 0.00 C ATOM 698 O HIS A 46 -0.504 -4.754 2.116 1.00 0.00 O ATOM 699 CB HIS A 46 1.557 -6.502 4.062 1.00 0.00 C ATOM 700 CG HIS A 46 2.433 -5.691 3.146 1.00 0.00 C ATOM 701 ND1 HIS A 46 2.779 -6.126 1.876 1.00 0.00 N ATOM 702 CD2 HIS A 46 3.036 -4.466 3.298 1.00 0.00 C ATOM 703 CE1 HIS A 46 3.554 -5.178 1.319 1.00 0.00 C ATOM 704 NE2 HIS A 46 3.742 -4.144 2.143 1.00 0.00 N ATOM 0 H HIS A 46 -0.245 -7.413 5.482 1.00 0.00 H new ATOM 0 HA HIS A 46 0.278 -4.830 4.511 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.003 -6.560 5.055 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.470 -7.523 3.692 1.00 0.00 H new ATOM 0 HD1 HIS A 46 2.497 -7.005 1.443 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.972 -3.847 4.180 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.973 -5.245 0.326 1.00 0.00 H new ATOM 712 N GLN A 47 -0.924 -6.958 2.286 1.00 0.00 N ATOM 713 CA GLN A 47 -1.546 -7.038 0.968 1.00 0.00 C ATOM 714 C GLN A 47 -2.777 -6.141 0.895 1.00 0.00 C ATOM 715 O GLN A 47 -3.036 -5.516 -0.133 1.00 0.00 O ATOM 716 CB GLN A 47 -1.944 -8.485 0.666 1.00 0.00 C ATOM 717 CG GLN A 47 -0.697 -9.338 0.387 1.00 0.00 C ATOM 718 CD GLN A 47 0.498 -8.849 1.203 1.00 0.00 C ATOM 719 OE1 GLN A 47 0.997 -7.746 0.984 1.00 0.00 O ATOM 720 NE2 GLN A 47 1.001 -9.618 2.130 1.00 0.00 N ATOM 0 H GLN A 47 -0.889 -7.841 2.795 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.823 -6.697 0.226 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.495 -8.901 1.510 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.611 -8.513 -0.195 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.904 -10.380 0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.456 -9.299 -0.675 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.589 -10.533 2.313 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.806 -9.304 2.671 1.00 0.00 H new ATOM 729 N LYS A 48 -3.534 -6.078 1.986 1.00 0.00 N ATOM 730 CA LYS A 48 -4.731 -5.245 2.013 1.00 0.00 C ATOM 731 C LYS A 48 -4.366 -3.785 1.767 1.00 0.00 C ATOM 732 O LYS A 48 -4.998 -3.103 0.960 1.00 0.00 O ATOM 733 CB LYS A 48 -5.433 -5.378 3.366 1.00 0.00 C ATOM 734 CG LYS A 48 -6.763 -4.620 3.328 1.00 0.00 C ATOM 735 CD LYS A 48 -7.512 -4.824 4.649 1.00 0.00 C ATOM 736 CE LYS A 48 -6.822 -4.043 5.773 1.00 0.00 C ATOM 737 NZ LYS A 48 -6.308 -4.996 6.797 1.00 0.00 N ATOM 0 H LYS A 48 -3.344 -6.585 2.850 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.404 -5.580 1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.608 -6.429 3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.798 -4.980 4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.583 -3.558 3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.371 -4.975 2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.545 -4.491 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.543 -5.885 4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.002 -3.450 5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.524 -3.345 6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.855 -4.466 7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.098 -5.555 7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.612 -5.633 6.360 1.00 0.00 H new ATOM 751 N ASP A 49 -3.337 -3.316 2.465 1.00 0.00 N ATOM 752 CA ASP A 49 -2.887 -1.937 2.311 1.00 0.00 C ATOM 753 C ASP A 49 -2.315 -1.715 0.914 1.00 0.00 C ATOM 754 O ASP A 49 -2.515 -0.662 0.309 1.00 0.00 O ATOM 755 CB ASP A 49 -1.819 -1.616 3.359 1.00 0.00 C ATOM 756 CG ASP A 49 -2.426 -1.673 4.755 1.00 0.00 C ATOM 757 OD1 ASP A 49 -3.643 -1.689 4.851 1.00 0.00 O ATOM 758 OD2 ASP A 49 -1.667 -1.699 5.710 1.00 0.00 O ATOM 0 H ASP A 49 -2.802 -3.865 3.138 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.743 -1.276 2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.996 -2.327 3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.403 -0.626 3.175 1.00 0.00 H new ATOM 763 N PHE A 50 -1.599 -2.717 0.415 1.00 0.00 N ATOM 764 CA PHE A 50 -0.992 -2.632 -0.908 1.00 0.00 C ATOM 765 C PHE A 50 -2.053 -2.435 -1.986 1.00 0.00 C ATOM 766 O PHE A 50 -1.915 -1.575 -2.856 1.00 0.00 O ATOM 767 CB PHE A 50 -0.204 -3.913 -1.192 1.00 0.00 C ATOM 768 CG PHE A 50 0.526 -3.786 -2.509 1.00 0.00 C ATOM 769 CD1 PHE A 50 1.804 -3.217 -2.550 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.075 -4.242 -3.688 1.00 0.00 C ATOM 771 CE1 PHE A 50 2.482 -3.104 -3.769 1.00 0.00 C ATOM 772 CE2 PHE A 50 0.602 -4.127 -4.909 1.00 0.00 C ATOM 773 CZ PHE A 50 1.881 -3.559 -4.949 1.00 0.00 C ATOM 0 H PHE A 50 -1.425 -3.595 0.905 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.322 -1.772 -0.925 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.508 -4.098 -0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.880 -4.767 -1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.267 -2.865 -1.640 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.061 -4.682 -3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.469 -2.666 -3.800 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.137 -4.476 -5.819 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.404 -3.472 -5.890 1.00 0.00 H new ATOM 783 N MET A 51 -3.108 -3.240 -1.929 1.00 0.00 N ATOM 784 CA MET A 51 -4.182 -3.146 -2.912 1.00 0.00 C ATOM 785 C MET A 51 -4.903 -1.805 -2.814 1.00 0.00 C ATOM 786 O MET A 51 -5.243 -1.199 -3.830 1.00 0.00 O ATOM 787 CB MET A 51 -5.186 -4.281 -2.698 1.00 0.00 C ATOM 788 CG MET A 51 -6.221 -4.263 -3.825 1.00 0.00 C ATOM 789 SD MET A 51 -7.482 -5.522 -3.506 1.00 0.00 S ATOM 790 CE MET A 51 -8.399 -5.319 -5.054 1.00 0.00 C ATOM 0 H MET A 51 -3.243 -3.960 -1.219 1.00 0.00 H new ATOM 0 HA MET A 51 -3.738 -3.228 -3.904 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.669 -5.240 -2.680 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.680 -4.167 -1.733 1.00 0.00 H new ATOM 0 HG2 MET A 51 -6.684 -3.278 -3.893 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.736 -4.453 -4.782 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.444 -5.101 -4.832 1.00 0.00 H new ATOM 0 HE2 MET A 51 -7.970 -4.496 -5.626 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.336 -6.238 -5.637 1.00 0.00 H new ATOM 800 N THR A 52 -5.142 -1.350 -1.589 1.00 0.00 N ATOM 801 CA THR A 52 -5.833 -0.081 -1.380 1.00 0.00 C ATOM 802 C THR A 52 -5.060 1.072 -2.012 1.00 0.00 C ATOM 803 O THR A 52 -5.642 1.940 -2.661 1.00 0.00 O ATOM 804 CB THR A 52 -6.003 0.178 0.118 1.00 0.00 C ATOM 805 OG1 THR A 52 -6.663 -0.929 0.716 1.00 0.00 O ATOM 806 CG2 THR A 52 -6.835 1.444 0.328 1.00 0.00 C ATOM 0 H THR A 52 -4.871 -1.834 -0.733 1.00 0.00 H new ATOM 0 HA THR A 52 -6.812 -0.144 -1.855 1.00 0.00 H new ATOM 0 HB THR A 52 -5.023 0.310 0.578 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.050 -1.693 0.755 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.955 1.627 1.396 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.328 2.293 -0.131 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.815 1.315 -0.131 1.00 0.00 H new ATOM 814 N TYR A 53 -3.747 1.074 -1.816 1.00 0.00 N ATOM 815 CA TYR A 53 -2.903 2.126 -2.369 1.00 0.00 C ATOM 816 C TYR A 53 -2.950 2.108 -3.896 1.00 0.00 C ATOM 817 O TYR A 53 -2.920 3.157 -4.539 1.00 0.00 O ATOM 818 CB TYR A 53 -1.461 1.946 -1.893 1.00 0.00 C ATOM 819 CG TYR A 53 -0.629 3.124 -2.342 1.00 0.00 C ATOM 820 CD1 TYR A 53 -0.588 4.291 -1.566 1.00 0.00 C ATOM 821 CD2 TYR A 53 0.104 3.049 -3.531 1.00 0.00 C ATOM 822 CE1 TYR A 53 0.185 5.381 -1.982 1.00 0.00 C ATOM 823 CE2 TYR A 53 0.878 4.139 -3.947 1.00 0.00 C ATOM 824 CZ TYR A 53 0.919 5.305 -3.172 1.00 0.00 C ATOM 825 OH TYR A 53 1.683 6.378 -3.582 1.00 0.00 O ATOM 0 H TYR A 53 -3.246 0.364 -1.282 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.279 3.088 -2.020 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.434 1.862 -0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.047 1.021 -2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.153 4.349 -0.647 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.073 2.150 -4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.215 6.281 -1.385 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.443 4.081 -4.865 1.00 0.00 H new ATOM 0 HH TYR A 53 2.129 6.158 -4.427 1.00 0.00 H new ATOM 835 N ALA A 54 -3.017 0.909 -4.467 1.00 0.00 N ATOM 836 CA ALA A 54 -3.059 0.763 -5.920 1.00 0.00 C ATOM 837 C ALA A 54 -4.272 1.481 -6.503 1.00 0.00 C ATOM 838 O ALA A 54 -4.219 2.002 -7.617 1.00 0.00 O ATOM 839 CB ALA A 54 -3.115 -0.719 -6.295 1.00 0.00 C ATOM 0 H ALA A 54 -3.043 0.030 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.155 1.211 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.146 -0.819 -7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.230 -1.226 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.009 -1.170 -5.863 1.00 0.00 H new ATOM 845 N PHE A 55 -5.361 1.509 -5.745 1.00 0.00 N ATOM 846 CA PHE A 55 -6.580 2.171 -6.197 1.00 0.00 C ATOM 847 C PHE A 55 -6.552 3.649 -5.826 1.00 0.00 C ATOM 848 O PHE A 55 -7.559 4.348 -5.941 1.00 0.00 O ATOM 849 CB PHE A 55 -7.805 1.503 -5.571 1.00 0.00 C ATOM 850 CG PHE A 55 -8.154 0.258 -6.350 1.00 0.00 C ATOM 851 CD1 PHE A 55 -7.287 -0.840 -6.344 1.00 0.00 C ATOM 852 CD2 PHE A 55 -9.349 0.201 -7.078 1.00 0.00 C ATOM 853 CE1 PHE A 55 -7.613 -1.994 -7.067 1.00 0.00 C ATOM 854 CE2 PHE A 55 -9.676 -0.953 -7.800 1.00 0.00 C ATOM 855 CZ PHE A 55 -8.807 -2.050 -7.795 1.00 0.00 C ATOM 0 H PHE A 55 -5.426 1.084 -4.820 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.640 2.082 -7.282 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.602 1.249 -4.531 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.649 2.193 -5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.366 -0.798 -5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.019 1.048 -7.082 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.943 -2.841 -7.063 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.598 -0.997 -8.360 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.058 -2.940 -8.353 1.00 0.00 H new ATOM 865 N GLY A 56 -5.392 4.117 -5.376 1.00 0.00 N ATOM 866 CA GLY A 56 -5.243 5.514 -4.985 1.00 0.00 C ATOM 867 C GLY A 56 -5.633 5.711 -3.527 1.00 0.00 C ATOM 868 O GLY A 56 -6.008 6.809 -3.118 1.00 0.00 O ATOM 0 H GLY A 56 -4.548 3.554 -5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.211 5.831 -5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.866 6.143 -5.621 1.00 0.00 H new ATOM 872 N GLY A 57 -5.545 4.637 -2.747 1.00 0.00 N ATOM 873 CA GLY A 57 -5.890 4.695 -1.331 1.00 0.00 C ATOM 874 C GLY A 57 -5.036 5.727 -0.600 1.00 0.00 C ATOM 875 O GLY A 57 -4.178 5.375 0.209 1.00 0.00 O ATOM 0 H GLY A 57 -5.239 3.719 -3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.945 4.947 -1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.747 3.714 -0.878 1.00 0.00 H new ATOM 879 N THR A 58 -5.282 6.999 -0.890 1.00 0.00 N ATOM 880 CA THR A 58 -4.536 8.078 -0.258 1.00 0.00 C ATOM 881 C THR A 58 -5.432 8.830 0.722 1.00 0.00 C ATOM 882 O THR A 58 -5.259 10.029 0.941 1.00 0.00 O ATOM 883 CB THR A 58 -4.015 9.048 -1.321 1.00 0.00 C ATOM 884 OG1 THR A 58 -5.111 9.714 -1.930 1.00 0.00 O ATOM 885 CG2 THR A 58 -3.233 8.273 -2.383 1.00 0.00 C ATOM 0 H THR A 58 -5.990 7.307 -1.557 1.00 0.00 H new ATOM 0 HA THR A 58 -3.692 7.649 0.283 1.00 0.00 H new ATOM 0 HB THR A 58 -3.358 9.781 -0.853 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.779 10.337 -2.610 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.863 8.965 -3.139 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.391 7.763 -1.915 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.887 7.538 -2.853 1.00 0.00 H new ATOM 893 N ASP A 59 -6.397 8.120 1.296 1.00 0.00 N ATOM 894 CA ASP A 59 -7.324 8.738 2.238 1.00 0.00 C ATOM 895 C ASP A 59 -6.566 9.481 3.332 1.00 0.00 C ATOM 896 O ASP A 59 -6.808 10.665 3.562 1.00 0.00 O ATOM 897 CB ASP A 59 -8.204 7.661 2.877 1.00 0.00 C ATOM 898 CG ASP A 59 -7.332 6.660 3.627 1.00 0.00 C ATOM 899 OD1 ASP A 59 -6.216 6.433 3.190 1.00 0.00 O ATOM 900 OD2 ASP A 59 -7.795 6.132 4.626 1.00 0.00 O ATOM 0 H ASP A 59 -6.557 7.127 1.128 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.944 9.450 1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.917 8.120 3.561 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.783 7.149 2.109 1.00 0.00 H new ATOM 905 N ARG A 60 -5.642 8.783 3.989 1.00 0.00 N ATOM 906 CA ARG A 60 -4.844 9.390 5.053 1.00 0.00 C ATOM 907 C ARG A 60 -3.869 8.382 5.654 1.00 0.00 C ATOM 908 O ARG A 60 -3.843 8.178 6.867 1.00 0.00 O ATOM 909 CB ARG A 60 -5.753 9.950 6.158 1.00 0.00 C ATOM 910 CG ARG A 60 -6.651 8.845 6.721 1.00 0.00 C ATOM 911 CD ARG A 60 -7.731 9.478 7.600 1.00 0.00 C ATOM 912 NE ARG A 60 -8.511 8.447 8.275 1.00 0.00 N ATOM 913 CZ ARG A 60 -9.389 8.761 9.223 1.00 0.00 C ATOM 914 NH1 ARG A 60 -9.563 10.009 9.566 1.00 0.00 N ATOM 915 NH2 ARG A 60 -10.077 7.821 9.813 1.00 0.00 N ATOM 0 H ARG A 60 -5.428 7.803 3.805 1.00 0.00 H new ATOM 0 HA ARG A 60 -4.272 10.206 4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -5.145 10.376 6.957 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.366 10.758 5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.110 8.282 5.908 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.059 8.139 7.303 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.269 10.134 8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.388 10.098 6.989 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.381 7.469 8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.025 10.744 9.107 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.237 10.249 10.293 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.941 6.846 9.547 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.750 8.062 10.540 1.00 0.00 H new ATOM 929 N PHE A 61 -3.055 7.763 4.806 1.00 0.00 N ATOM 930 CA PHE A 61 -2.080 6.792 5.286 1.00 0.00 C ATOM 931 C PHE A 61 -1.255 7.391 6.425 1.00 0.00 C ATOM 932 O PHE A 61 -1.110 8.610 6.521 1.00 0.00 O ATOM 933 CB PHE A 61 -1.156 6.363 4.145 1.00 0.00 C ATOM 934 CG PHE A 61 -1.728 5.138 3.473 1.00 0.00 C ATOM 935 CD1 PHE A 61 -3.098 5.062 3.200 1.00 0.00 C ATOM 936 CD2 PHE A 61 -0.885 4.075 3.130 1.00 0.00 C ATOM 937 CE1 PHE A 61 -3.625 3.921 2.583 1.00 0.00 C ATOM 938 CE2 PHE A 61 -1.412 2.934 2.514 1.00 0.00 C ATOM 939 CZ PHE A 61 -2.782 2.857 2.240 1.00 0.00 C ATOM 0 H PHE A 61 -3.050 7.913 3.797 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.614 5.917 5.657 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.051 7.173 3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.159 6.148 4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.748 5.883 3.465 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.173 4.135 3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.682 3.862 2.372 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.761 2.113 2.250 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.189 1.977 1.764 1.00 0.00 H new ATOM 949 N PRO A 62 -0.726 6.564 7.289 1.00 0.00 N ATOM 950 CA PRO A 62 0.090 7.023 8.452 1.00 0.00 C ATOM 951 C PRO A 62 1.224 7.956 8.033 1.00 0.00 C ATOM 952 O PRO A 62 1.769 7.836 6.936 1.00 0.00 O ATOM 953 CB PRO A 62 0.644 5.730 9.070 1.00 0.00 C ATOM 954 CG PRO A 62 0.330 4.630 8.105 1.00 0.00 C ATOM 955 CD PRO A 62 -0.844 5.102 7.256 1.00 0.00 C ATOM 0 HA PRO A 62 -0.510 7.603 9.154 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.719 5.808 9.234 1.00 0.00 H new ATOM 0 HB3 PRO A 62 0.187 5.537 10.041 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.194 4.408 7.479 1.00 0.00 H new ATOM 0 HG3 PRO A 62 0.077 3.712 8.636 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.783 4.717 6.238 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.796 4.767 7.667 1.00 0.00 H new ATOM 963 N GLY A 63 1.566 8.888 8.918 1.00 0.00 N ATOM 964 CA GLY A 63 2.629 9.846 8.641 1.00 0.00 C ATOM 965 C GLY A 63 4.000 9.181 8.681 1.00 0.00 C ATOM 966 O GLY A 63 4.155 8.030 8.272 1.00 0.00 O ATOM 0 H GLY A 63 1.123 8.999 9.830 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.469 10.296 7.661 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.593 10.654 9.372 1.00 0.00 H new ATOM 970 N ARG A 64 4.994 9.918 9.167 1.00 0.00 N ATOM 971 CA ARG A 64 6.354 9.397 9.245 1.00 0.00 C ATOM 972 C ARG A 64 6.914 9.207 7.839 1.00 0.00 C ATOM 973 O ARG A 64 6.839 10.113 7.009 1.00 0.00 O ATOM 974 CB ARG A 64 6.362 8.063 9.997 1.00 0.00 C ATOM 975 CG ARG A 64 7.774 7.770 10.509 1.00 0.00 C ATOM 976 CD ARG A 64 7.781 6.424 11.236 1.00 0.00 C ATOM 977 NE ARG A 64 7.518 5.344 10.293 1.00 0.00 N ATOM 978 CZ ARG A 64 7.724 4.075 10.625 1.00 0.00 C ATOM 979 NH1 ARG A 64 8.172 3.775 11.812 1.00 0.00 N ATOM 980 NH2 ARG A 64 7.477 3.129 9.760 1.00 0.00 N ATOM 0 H ARG A 64 4.884 10.872 9.511 1.00 0.00 H new ATOM 0 HA ARG A 64 6.978 10.109 9.785 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.662 8.101 10.832 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.030 7.261 9.338 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.478 7.750 9.677 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.100 8.562 11.183 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.745 6.268 11.720 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.026 6.423 12.022 1.00 0.00 H new ATOM 0 HE ARG A 64 7.169 5.567 9.361 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.365 4.515 12.487 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.330 2.800 12.066 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.127 3.366 8.832 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.634 2.153 10.012 1.00 0.00 H new ATOM 994 N SER A 65 7.469 8.031 7.568 1.00 0.00 N ATOM 995 CA SER A 65 8.024 7.760 6.248 1.00 0.00 C ATOM 996 C SER A 65 7.884 6.284 5.890 1.00 0.00 C ATOM 997 O SER A 65 8.202 5.406 6.694 1.00 0.00 O ATOM 998 CB SER A 65 9.501 8.153 6.212 1.00 0.00 C ATOM 999 OG SER A 65 10.276 7.122 6.809 1.00 0.00 O ATOM 0 H SER A 65 7.546 7.261 8.233 1.00 0.00 H new ATOM 0 HA SER A 65 7.469 8.350 5.519 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.821 8.315 5.183 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.652 9.092 6.744 1.00 0.00 H new ATOM 0 HG SER A 65 9.680 6.443 7.188 1.00 0.00 H new ATOM 1005 N MET A 66 7.413 6.020 4.676 1.00 0.00 N ATOM 1006 CA MET A 66 7.243 4.648 4.213 1.00 0.00 C ATOM 1007 C MET A 66 8.595 3.948 4.124 1.00 0.00 C ATOM 1008 O MET A 66 8.700 2.743 4.355 1.00 0.00 O ATOM 1009 CB MET A 66 6.570 4.639 2.839 1.00 0.00 C ATOM 1010 CG MET A 66 5.149 5.193 2.960 1.00 0.00 C ATOM 1011 SD MET A 66 4.159 4.096 4.005 1.00 0.00 S ATOM 1012 CE MET A 66 3.484 5.373 5.098 1.00 0.00 C ATOM 0 H MET A 66 7.144 6.733 3.999 1.00 0.00 H new ATOM 0 HA MET A 66 6.614 4.116 4.927 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.147 5.240 2.136 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.543 3.624 2.443 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.173 6.195 3.388 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.696 5.279 1.973 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.830 4.911 5.837 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.301 5.886 5.606 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.914 6.092 4.509 1.00 0.00 H new ATOM 1022 N ARG A 67 9.624 4.713 3.779 1.00 0.00 N ATOM 1023 CA ARG A 67 10.969 4.165 3.648 1.00 0.00 C ATOM 1024 C ARG A 67 11.409 3.486 4.941 1.00 0.00 C ATOM 1025 O ARG A 67 12.062 2.444 4.910 1.00 0.00 O ATOM 1026 CB ARG A 67 11.950 5.287 3.310 1.00 0.00 C ATOM 1027 CG ARG A 67 11.582 5.900 1.959 1.00 0.00 C ATOM 1028 CD ARG A 67 12.593 6.993 1.604 1.00 0.00 C ATOM 1029 NE ARG A 67 12.164 7.709 0.408 1.00 0.00 N ATOM 1030 CZ ARG A 67 13.035 8.378 -0.338 1.00 0.00 C ATOM 1031 NH1 ARG A 67 14.297 8.402 -0.005 1.00 0.00 N ATOM 1032 NH2 ARG A 67 12.631 9.010 -1.406 1.00 0.00 N ATOM 0 H ARG A 67 9.553 5.712 3.585 1.00 0.00 H new ATOM 0 HA ARG A 67 10.960 3.424 2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.925 6.052 4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.967 4.897 3.279 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.576 5.130 1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.576 6.319 1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.694 7.689 2.437 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.575 6.550 1.438 1.00 0.00 H new ATOM 0 HE ARG A 67 11.180 7.696 0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.614 7.907 0.828 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.966 8.916 -0.578 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.645 8.990 -1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.301 9.524 -1.979 1.00 0.00 H new ATOM 1046 N ALA A 68 11.049 4.081 6.072 1.00 0.00 N ATOM 1047 CA ALA A 68 11.420 3.523 7.367 1.00 0.00 C ATOM 1048 C ALA A 68 10.822 2.131 7.546 1.00 0.00 C ATOM 1049 O ALA A 68 11.453 1.243 8.119 1.00 0.00 O ATOM 1050 CB ALA A 68 10.930 4.439 8.491 1.00 0.00 C ATOM 0 H ALA A 68 10.505 4.943 6.119 1.00 0.00 H new ATOM 0 HA ALA A 68 12.506 3.446 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.211 4.015 9.455 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.384 5.424 8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.845 4.532 8.438 1.00 0.00 H new ATOM 1056 N ALA A 69 9.602 1.950 7.055 1.00 0.00 N ATOM 1057 CA ALA A 69 8.928 0.662 7.170 1.00 0.00 C ATOM 1058 C ALA A 69 9.661 -0.408 6.366 1.00 0.00 C ATOM 1059 O ALA A 69 9.711 -1.572 6.766 1.00 0.00 O ATOM 1060 CB ALA A 69 7.489 0.781 6.667 1.00 0.00 C ATOM 0 H ALA A 69 9.063 2.672 6.577 1.00 0.00 H new ATOM 0 HA ALA A 69 8.926 0.370 8.220 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.991 -0.185 6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.955 1.521 7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.493 1.092 5.622 1.00 0.00 H new ATOM 1066 N HIS A 70 10.219 -0.011 5.226 1.00 0.00 N ATOM 1067 CA HIS A 70 10.937 -0.951 4.372 1.00 0.00 C ATOM 1068 C HIS A 70 12.441 -0.883 4.623 1.00 0.00 C ATOM 1069 O HIS A 70 13.192 -1.746 4.168 1.00 0.00 O ATOM 1070 CB HIS A 70 10.646 -0.640 2.903 1.00 0.00 C ATOM 1071 CG HIS A 70 9.167 -0.752 2.654 1.00 0.00 C ATOM 1072 ND1 HIS A 70 8.322 0.346 2.707 1.00 0.00 N ATOM 1073 CD2 HIS A 70 8.365 -1.826 2.353 1.00 0.00 C ATOM 1074 CE1 HIS A 70 7.075 -0.089 2.446 1.00 0.00 C ATOM 1075 NE2 HIS A 70 7.045 -1.404 2.223 1.00 0.00 N ATOM 0 H HIS A 70 10.189 0.946 4.875 1.00 0.00 H new ATOM 0 HA HIS A 70 10.595 -1.958 4.610 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.993 0.363 2.656 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.188 -1.332 2.259 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.595 1.308 2.907 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.707 -2.844 2.235 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.204 0.549 2.420 1.00 0.00 H new ATOM 1083 N GLN A 71 12.877 0.144 5.345 1.00 0.00 N ATOM 1084 CA GLN A 71 14.297 0.305 5.640 1.00 0.00 C ATOM 1085 C GLN A 71 14.837 -0.914 6.382 1.00 0.00 C ATOM 1086 O GLN A 71 15.968 -1.342 6.151 1.00 0.00 O ATOM 1087 CB GLN A 71 14.520 1.557 6.492 1.00 0.00 C ATOM 1088 CG GLN A 71 16.022 1.806 6.649 1.00 0.00 C ATOM 1089 CD GLN A 71 16.260 2.978 7.596 1.00 0.00 C ATOM 1090 OE1 GLN A 71 15.855 2.933 8.757 1.00 0.00 O ATOM 1091 NE2 GLN A 71 16.898 4.032 7.165 1.00 0.00 N ATOM 0 H GLN A 71 12.275 0.870 5.733 1.00 0.00 H new ATOM 0 HA GLN A 71 14.830 0.408 4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.045 2.419 6.023 1.00 0.00 H new ATOM 0 HB3 GLN A 71 14.057 1.431 7.471 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.509 0.911 7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.468 2.017 5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.233 4.067 6.202 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.062 4.820 7.791 1.00 0.00 H new ATOM 1100 N ASP A 72 14.025 -1.464 7.278 1.00 0.00 N ATOM 1101 CA ASP A 72 14.435 -2.629 8.054 1.00 0.00 C ATOM 1102 C ASP A 72 14.808 -3.789 7.138 1.00 0.00 C ATOM 1103 O ASP A 72 15.767 -4.515 7.401 1.00 0.00 O ATOM 1104 CB ASP A 72 13.297 -3.063 8.981 1.00 0.00 C ATOM 1105 CG ASP A 72 13.039 -1.988 10.031 1.00 0.00 C ATOM 1106 OD1 ASP A 72 13.864 -1.097 10.153 1.00 0.00 O ATOM 1107 OD2 ASP A 72 12.020 -2.070 10.696 1.00 0.00 O ATOM 0 H ASP A 72 13.085 -1.125 7.484 1.00 0.00 H new ATOM 0 HA ASP A 72 15.309 -2.354 8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.392 -3.240 8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.553 -4.004 9.468 1.00 0.00 H new ATOM 1112 N LEU A 73 14.041 -3.967 6.067 1.00 0.00 N ATOM 1113 CA LEU A 73 14.302 -5.051 5.128 1.00 0.00 C ATOM 1114 C LEU A 73 15.685 -4.906 4.501 1.00 0.00 C ATOM 1115 O LEU A 73 16.398 -5.891 4.319 1.00 0.00 O ATOM 1116 CB LEU A 73 13.245 -5.049 4.022 1.00 0.00 C ATOM 1117 CG LEU A 73 11.847 -5.130 4.639 1.00 0.00 C ATOM 1118 CD1 LEU A 73 10.807 -5.225 3.522 1.00 0.00 C ATOM 1119 CD2 LEU A 73 11.748 -6.369 5.532 1.00 0.00 C ATOM 0 H LEU A 73 13.241 -3.380 5.829 1.00 0.00 H new ATOM 0 HA LEU A 73 14.261 -5.992 5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.335 -4.144 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.406 -5.893 3.351 1.00 0.00 H new ATOM 0 HG LEU A 73 11.663 -4.238 5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.809 -5.283 3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.875 -4.342 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.995 -6.118 2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.751 -6.423 5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.932 -7.263 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.490 -6.304 6.327 1.00 0.00 H new ATOM 1131 N VAL A 74 16.054 -3.672 4.169 1.00 0.00 N ATOM 1132 CA VAL A 74 17.351 -3.410 3.553 1.00 0.00 C ATOM 1133 C VAL A 74 18.491 -3.811 4.484 1.00 0.00 C ATOM 1134 O VAL A 74 19.500 -4.358 4.041 1.00 0.00 O ATOM 1135 CB VAL A 74 17.472 -1.925 3.207 1.00 0.00 C ATOM 1136 CG1 VAL A 74 18.893 -1.625 2.726 1.00 0.00 C ATOM 1137 CG2 VAL A 74 16.477 -1.580 2.099 1.00 0.00 C ATOM 0 H VAL A 74 15.478 -2.843 4.315 1.00 0.00 H new ATOM 0 HA VAL A 74 17.421 -4.006 2.643 1.00 0.00 H new ATOM 0 HB VAL A 74 17.256 -1.327 4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.978 -0.567 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.604 -1.872 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 74 19.111 -2.222 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 74 16.561 -0.522 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 74 16.695 -2.179 1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 74 15.464 -1.793 2.440 1.00 0.00 H new ATOM 1147 N GLU A 75 18.328 -3.531 5.772 1.00 0.00 N ATOM 1148 CA GLU A 75 19.357 -3.864 6.749 1.00 0.00 C ATOM 1149 C GLU A 75 19.599 -5.370 6.790 1.00 0.00 C ATOM 1150 O GLU A 75 20.733 -5.820 6.960 1.00 0.00 O ATOM 1151 CB GLU A 75 18.936 -3.378 8.136 1.00 0.00 C ATOM 1152 CG GLU A 75 18.844 -1.850 8.137 1.00 0.00 C ATOM 1153 CD GLU A 75 18.461 -1.352 9.527 1.00 0.00 C ATOM 1154 OE1 GLU A 75 18.097 -2.176 10.350 1.00 0.00 O ATOM 1155 OE2 GLU A 75 18.535 -0.155 9.747 1.00 0.00 O ATOM 0 H GLU A 75 17.501 -3.078 6.161 1.00 0.00 H new ATOM 0 HA GLU A 75 20.282 -3.369 6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 75 17.973 -3.811 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.657 -3.710 8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 75 19.800 -1.420 7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.104 -1.521 7.407 1.00 0.00 H new ATOM 1162 N ASN A 76 18.530 -6.146 6.638 1.00 0.00 N ATOM 1163 CA ASN A 76 18.647 -7.600 6.667 1.00 0.00 C ATOM 1164 C ASN A 76 18.771 -8.176 5.258 1.00 0.00 C ATOM 1165 O ASN A 76 19.773 -8.809 4.924 1.00 0.00 O ATOM 1166 CB ASN A 76 17.423 -8.204 7.358 1.00 0.00 C ATOM 1167 CG ASN A 76 17.375 -7.763 8.817 1.00 0.00 C ATOM 1168 OD1 ASN A 76 18.392 -7.351 9.375 1.00 0.00 O ATOM 1169 ND2 ASN A 76 16.248 -7.824 9.472 1.00 0.00 N ATOM 0 H ASN A 76 17.582 -5.797 6.495 1.00 0.00 H new ATOM 0 HA ASN A 76 19.550 -7.854 7.222 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.514 -7.890 6.845 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.462 -9.292 7.300 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.209 -7.530 10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.406 -8.166 9.008 1.00 0.00 H new ATOM 1176 N ALA A 77 17.744 -7.965 4.441 1.00 0.00 N ATOM 1177 CA ALA A 77 17.750 -8.481 3.075 1.00 0.00 C ATOM 1178 C ALA A 77 17.864 -7.349 2.058 1.00 0.00 C ATOM 1179 O ALA A 77 17.300 -6.272 2.245 1.00 0.00 O ATOM 1180 CB ALA A 77 16.465 -9.269 2.816 1.00 0.00 C ATOM 0 H ALA A 77 16.904 -7.446 4.697 1.00 0.00 H new ATOM 0 HA ALA A 77 18.616 -9.134 2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.473 -9.653 1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.402 -10.102 3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.604 -8.615 2.951 1.00 0.00 H new ATOM 1186 N GLY A 78 18.587 -7.605 0.972 1.00 0.00 N ATOM 1187 CA GLY A 78 18.752 -6.602 -0.074 1.00 0.00 C ATOM 1188 C GLY A 78 17.501 -6.529 -0.944 1.00 0.00 C ATOM 1189 O GLY A 78 17.114 -7.514 -1.573 1.00 0.00 O ATOM 0 H GLY A 78 19.064 -8.489 0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.948 -5.628 0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.617 -6.849 -0.690 1.00 0.00 H new ATOM 1193 N LEU A 79 16.870 -5.361 -0.969 1.00 0.00 N ATOM 1194 CA LEU A 79 15.660 -5.175 -1.760 1.00 0.00 C ATOM 1195 C LEU A 79 15.949 -4.339 -3.002 1.00 0.00 C ATOM 1196 O LEU A 79 16.567 -3.277 -2.917 1.00 0.00 O ATOM 1197 CB LEU A 79 14.587 -4.487 -0.914 1.00 0.00 C ATOM 1198 CG LEU A 79 13.275 -4.431 -1.698 1.00 0.00 C ATOM 1199 CD1 LEU A 79 12.754 -5.851 -1.930 1.00 0.00 C ATOM 1200 CD2 LEU A 79 12.240 -3.638 -0.896 1.00 0.00 C ATOM 0 H LEU A 79 17.173 -4.534 -0.455 1.00 0.00 H new ATOM 0 HA LEU A 79 15.302 -6.155 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.442 -5.030 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.908 -3.479 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 79 13.447 -3.946 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.819 -5.809 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.490 -6.421 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.581 -6.337 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.303 -3.596 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.071 -4.127 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.608 -2.626 -0.728 1.00 0.00 H new ATOM 1212 N THR A 80 15.498 -4.824 -4.153 1.00 0.00 N ATOM 1213 CA THR A 80 15.715 -4.111 -5.406 1.00 0.00 C ATOM 1214 C THR A 80 14.388 -3.866 -6.124 1.00 0.00 C ATOM 1215 O THR A 80 13.368 -4.469 -5.790 1.00 0.00 O ATOM 1216 CB THR A 80 16.660 -4.910 -6.307 1.00 0.00 C ATOM 1217 OG1 THR A 80 15.999 -6.077 -6.768 1.00 0.00 O ATOM 1218 CG2 THR A 80 17.912 -5.309 -5.521 1.00 0.00 C ATOM 0 H THR A 80 14.984 -5.700 -4.245 1.00 0.00 H new ATOM 0 HA THR A 80 16.168 -3.146 -5.180 1.00 0.00 H new ATOM 0 HB THR A 80 16.951 -4.295 -7.158 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.272 -6.306 -6.152 1.00 0.00 H new ATOM 0 HG21 THR A 80 18.581 -5.877 -6.167 1.00 0.00 H new ATOM 0 HG22 THR A 80 18.422 -4.412 -5.169 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.625 -5.922 -4.666 1.00 0.00 H new ATOM 1226 N ASP A 81 14.412 -2.965 -7.100 1.00 0.00 N ATOM 1227 CA ASP A 81 13.211 -2.621 -7.859 1.00 0.00 C ATOM 1228 C ASP A 81 12.586 -3.841 -8.535 1.00 0.00 C ATOM 1229 O ASP A 81 11.365 -3.924 -8.664 1.00 0.00 O ATOM 1230 CB ASP A 81 13.553 -1.574 -8.919 1.00 0.00 C ATOM 1231 CG ASP A 81 13.890 -0.245 -8.251 1.00 0.00 C ATOM 1232 OD1 ASP A 81 13.607 -0.109 -7.073 1.00 0.00 O ATOM 1233 OD2 ASP A 81 14.423 0.618 -8.930 1.00 0.00 O ATOM 0 H ASP A 81 15.250 -2.458 -7.386 1.00 0.00 H new ATOM 0 HA ASP A 81 12.482 -2.222 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 81 14.398 -1.914 -9.518 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.711 -1.445 -9.599 1.00 0.00 H new ATOM 1238 N VAL A 82 13.417 -4.777 -8.984 1.00 0.00 N ATOM 1239 CA VAL A 82 12.903 -5.965 -9.661 1.00 0.00 C ATOM 1240 C VAL A 82 11.809 -6.632 -8.831 1.00 0.00 C ATOM 1241 O VAL A 82 10.816 -7.116 -9.375 1.00 0.00 O ATOM 1242 CB VAL A 82 14.035 -6.963 -9.922 1.00 0.00 C ATOM 1243 CG1 VAL A 82 14.319 -7.766 -8.652 1.00 0.00 C ATOM 1244 CG2 VAL A 82 13.620 -7.919 -11.043 1.00 0.00 C ATOM 0 H VAL A 82 14.432 -4.739 -8.894 1.00 0.00 H new ATOM 0 HA VAL A 82 12.477 -5.651 -10.614 1.00 0.00 H new ATOM 0 HB VAL A 82 14.934 -6.420 -10.215 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.125 -8.475 -8.842 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.614 -7.088 -7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.421 -8.309 -8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 82 14.424 -8.630 -11.231 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.720 -8.458 -10.747 1.00 0.00 H new ATOM 0 HG23 VAL A 82 13.420 -7.350 -11.951 1.00 0.00 H new ATOM 1254 N HIS A 83 11.989 -6.651 -7.514 1.00 0.00 N ATOM 1255 CA HIS A 83 11.000 -7.259 -6.631 1.00 0.00 C ATOM 1256 C HIS A 83 9.641 -6.593 -6.818 1.00 0.00 C ATOM 1257 O HIS A 83 8.608 -7.262 -6.849 1.00 0.00 O ATOM 1258 CB HIS A 83 11.445 -7.122 -5.173 1.00 0.00 C ATOM 1259 CG HIS A 83 12.696 -7.929 -4.952 1.00 0.00 C ATOM 1260 ND1 HIS A 83 13.954 -7.349 -4.923 1.00 0.00 N ATOM 1261 CD2 HIS A 83 12.897 -9.272 -4.750 1.00 0.00 C ATOM 1262 CE1 HIS A 83 14.849 -8.332 -4.711 1.00 0.00 C ATOM 1263 NE2 HIS A 83 14.258 -9.523 -4.597 1.00 0.00 N ATOM 0 H HIS A 83 12.801 -6.257 -7.039 1.00 0.00 H new ATOM 0 HA HIS A 83 10.913 -8.316 -6.883 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.628 -6.074 -4.935 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.655 -7.467 -4.506 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.118 -10.020 -4.715 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.915 -8.176 -4.642 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.707 -10.424 -4.433 1.00 0.00 H new ATOM 1271 N PHE A 84 9.654 -5.271 -6.946 1.00 0.00 N ATOM 1272 CA PHE A 84 8.423 -4.513 -7.137 1.00 0.00 C ATOM 1273 C PHE A 84 7.697 -4.978 -8.395 1.00 0.00 C ATOM 1274 O PHE A 84 6.479 -5.150 -8.395 1.00 0.00 O ATOM 1275 CB PHE A 84 8.753 -3.024 -7.255 1.00 0.00 C ATOM 1276 CG PHE A 84 7.477 -2.221 -7.327 1.00 0.00 C ATOM 1277 CD1 PHE A 84 6.822 -1.841 -6.150 1.00 0.00 C ATOM 1278 CD2 PHE A 84 6.952 -1.852 -8.572 1.00 0.00 C ATOM 1279 CE1 PHE A 84 5.642 -1.092 -6.216 1.00 0.00 C ATOM 1280 CE2 PHE A 84 5.772 -1.102 -8.638 1.00 0.00 C ATOM 1281 CZ PHE A 84 5.117 -0.722 -7.461 1.00 0.00 C ATOM 0 H PHE A 84 10.501 -4.703 -6.921 1.00 0.00 H new ATOM 0 HA PHE A 84 7.773 -4.679 -6.278 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.346 -2.705 -6.398 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.356 -2.845 -8.145 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.228 -2.126 -5.190 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.457 -2.146 -9.480 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.136 -0.799 -5.308 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.367 -0.816 -9.598 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.207 -0.143 -7.513 1.00 0.00 H new ATOM 1291 N ASP A 85 8.458 -5.171 -9.466 1.00 0.00 N ATOM 1292 CA ASP A 85 7.887 -5.611 -10.734 1.00 0.00 C ATOM 1293 C ASP A 85 7.185 -6.959 -10.585 1.00 0.00 C ATOM 1294 O ASP A 85 6.159 -7.207 -11.217 1.00 0.00 O ATOM 1295 CB ASP A 85 8.992 -5.725 -11.786 1.00 0.00 C ATOM 1296 CG ASP A 85 8.380 -5.998 -13.156 1.00 0.00 C ATOM 1297 OD1 ASP A 85 7.989 -5.045 -13.809 1.00 0.00 O ATOM 1298 OD2 ASP A 85 8.313 -7.157 -13.532 1.00 0.00 O ATOM 0 H ASP A 85 9.468 -5.030 -9.482 1.00 0.00 H new ATOM 0 HA ASP A 85 7.150 -4.872 -11.049 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.574 -4.804 -11.815 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.679 -6.528 -11.519 1.00 0.00 H new ATOM 1303 N ALA A 86 7.753 -7.833 -9.758 1.00 0.00 N ATOM 1304 CA ALA A 86 7.176 -9.158 -9.553 1.00 0.00 C ATOM 1305 C ALA A 86 5.813 -9.075 -8.872 1.00 0.00 C ATOM 1306 O ALA A 86 4.811 -9.541 -9.415 1.00 0.00 O ATOM 1307 CB ALA A 86 8.119 -10.010 -8.702 1.00 0.00 C ATOM 0 H ALA A 86 8.603 -7.651 -9.224 1.00 0.00 H new ATOM 0 HA ALA A 86 7.041 -9.618 -10.532 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.682 -10.997 -8.553 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.078 -10.110 -9.211 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.270 -9.530 -7.735 1.00 0.00 H new ATOM 1313 N ILE A 87 5.778 -8.488 -7.679 1.00 0.00 N ATOM 1314 CA ILE A 87 4.523 -8.367 -6.944 1.00 0.00 C ATOM 1315 C ILE A 87 3.526 -7.505 -7.713 1.00 0.00 C ATOM 1316 O ILE A 87 2.317 -7.732 -7.652 1.00 0.00 O ATOM 1317 CB ILE A 87 4.781 -7.763 -5.560 1.00 0.00 C ATOM 1318 CG1 ILE A 87 3.538 -7.943 -4.683 1.00 0.00 C ATOM 1319 CG2 ILE A 87 5.100 -6.273 -5.692 1.00 0.00 C ATOM 1320 CD1 ILE A 87 3.898 -7.659 -3.224 1.00 0.00 C ATOM 0 H ILE A 87 6.591 -8.094 -7.206 1.00 0.00 H new ATOM 0 HA ILE A 87 4.097 -9.363 -6.826 1.00 0.00 H new ATOM 0 HB ILE A 87 5.629 -8.271 -5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.747 -7.269 -5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.153 -8.958 -4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.282 -5.851 -4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.988 -6.144 -6.311 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.257 -5.760 -6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.014 -7.787 -2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.675 -8.351 -2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.262 -6.636 -3.132 1.00 0.00 H new ATOM 1332 N ALA A 88 4.040 -6.520 -8.445 1.00 0.00 N ATOM 1333 CA ALA A 88 3.180 -5.639 -9.225 1.00 0.00 C ATOM 1334 C ALA A 88 2.500 -6.418 -10.347 1.00 0.00 C ATOM 1335 O ALA A 88 1.317 -6.222 -10.628 1.00 0.00 O ATOM 1336 CB ALA A 88 4.005 -4.497 -9.821 1.00 0.00 C ATOM 0 H ALA A 88 5.037 -6.314 -8.514 1.00 0.00 H new ATOM 0 HA ALA A 88 2.416 -5.227 -8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.355 -3.843 -10.402 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.469 -3.926 -9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.780 -4.907 -10.469 1.00 0.00 H new ATOM 1342 N GLU A 89 3.259 -7.304 -10.983 1.00 0.00 N ATOM 1343 CA GLU A 89 2.725 -8.111 -12.072 1.00 0.00 C ATOM 1344 C GLU A 89 1.595 -9.004 -11.572 1.00 0.00 C ATOM 1345 O GLU A 89 0.617 -9.239 -12.281 1.00 0.00 O ATOM 1346 CB GLU A 89 3.834 -8.976 -12.672 1.00 0.00 C ATOM 1347 CG GLU A 89 3.300 -9.712 -13.903 1.00 0.00 C ATOM 1348 CD GLU A 89 4.365 -10.656 -14.449 1.00 0.00 C ATOM 1349 OE1 GLU A 89 5.431 -10.719 -13.857 1.00 0.00 O ATOM 1350 OE2 GLU A 89 4.101 -11.302 -15.449 1.00 0.00 O ATOM 0 H GLU A 89 4.240 -7.480 -10.765 1.00 0.00 H new ATOM 0 HA GLU A 89 2.332 -7.442 -12.837 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.685 -8.354 -12.948 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.190 -9.693 -11.933 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.404 -10.274 -13.640 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.012 -8.993 -14.670 1.00 0.00 H new ATOM 1357 N ASN A 90 1.737 -9.500 -10.347 1.00 0.00 N ATOM 1358 CA ASN A 90 0.721 -10.368 -9.766 1.00 0.00 C ATOM 1359 C ASN A 90 -0.633 -9.669 -9.749 1.00 0.00 C ATOM 1360 O ASN A 90 -1.666 -10.290 -10.003 1.00 0.00 O ATOM 1361 CB ASN A 90 1.117 -10.755 -8.340 1.00 0.00 C ATOM 1362 CG ASN A 90 2.394 -11.588 -8.363 1.00 0.00 C ATOM 1363 OD1 ASN A 90 2.770 -12.122 -9.407 1.00 0.00 O ATOM 1364 ND2 ASN A 90 3.087 -11.733 -7.266 1.00 0.00 N ATOM 0 H ASN A 90 2.538 -9.318 -9.743 1.00 0.00 H new ATOM 0 HA ASN A 90 0.645 -11.267 -10.377 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.269 -9.858 -7.739 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.312 -11.321 -7.871 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.942 -12.290 -7.273 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.774 -11.290 -6.402 1.00 0.00 H new ATOM 1371 N LEU A 91 -0.623 -8.374 -9.452 1.00 0.00 N ATOM 1372 CA LEU A 91 -1.861 -7.604 -9.411 1.00 0.00 C ATOM 1373 C LEU A 91 -2.533 -7.609 -10.779 1.00 0.00 C ATOM 1374 O LEU A 91 -3.754 -7.710 -10.880 1.00 0.00 O ATOM 1375 CB LEU A 91 -1.570 -6.164 -8.983 1.00 0.00 C ATOM 1376 CG LEU A 91 -2.887 -5.405 -8.803 1.00 0.00 C ATOM 1377 CD1 LEU A 91 -3.649 -5.965 -7.598 1.00 0.00 C ATOM 1378 CD2 LEU A 91 -2.592 -3.922 -8.570 1.00 0.00 C ATOM 0 H LEU A 91 0.219 -7.840 -9.238 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.532 -8.064 -8.686 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.005 -6.158 -8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.953 -5.669 -9.733 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.494 -5.523 -9.700 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.585 -5.421 -7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.862 -7.021 -7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.043 -5.852 -6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.529 -3.380 -8.442 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.982 -3.809 -7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.054 -3.519 -9.428 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.725 -7.501 -11.828 1.00 0.00 N ATOM 1391 CA VAL A 92 -2.256 -7.497 -13.186 1.00 0.00 C ATOM 1392 C VAL A 92 -2.916 -8.834 -13.509 1.00 0.00 C ATOM 1393 O VAL A 92 -3.990 -8.880 -14.107 1.00 0.00 O ATOM 1394 CB VAL A 92 -1.129 -7.224 -14.185 1.00 0.00 C ATOM 1395 CG1 VAL A 92 -1.663 -7.363 -15.613 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.598 -5.805 -13.975 1.00 0.00 C ATOM 0 H VAL A 92 -0.710 -7.416 -11.766 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.006 -6.710 -13.261 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.324 -7.942 -14.029 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.859 -7.168 -16.323 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.042 -8.374 -15.763 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.469 -6.646 -15.772 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.205 -5.608 -14.685 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.404 -5.088 -14.131 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.216 -5.706 -12.959 1.00 0.00 H new ATOM 1406 N LEU A 93 -2.264 -9.921 -13.110 1.00 0.00 N ATOM 1407 CA LEU A 93 -2.794 -11.257 -13.361 1.00 0.00 C ATOM 1408 C LEU A 93 -4.107 -11.469 -12.613 1.00 0.00 C ATOM 1409 O LEU A 93 -5.015 -12.134 -13.112 1.00 0.00 O ATOM 1410 CB LEU A 93 -1.778 -12.315 -12.922 1.00 0.00 C ATOM 1411 CG LEU A 93 -0.455 -12.097 -13.660 1.00 0.00 C ATOM 1412 CD1 LEU A 93 0.541 -13.184 -13.251 1.00 0.00 C ATOM 1413 CD2 LEU A 93 -0.692 -12.170 -15.170 1.00 0.00 C ATOM 0 H LEU A 93 -1.373 -9.904 -12.614 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.981 -11.354 -14.430 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.619 -12.256 -11.845 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.163 -13.313 -13.133 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.054 -11.117 -13.402 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.484 -13.030 -13.776 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.712 -13.135 -12.176 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.138 -14.163 -13.510 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.251 -12.015 -15.694 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.094 -13.150 -15.428 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.402 -11.398 -15.465 1.00 0.00 H new ATOM 1425 N THR A 94 -4.199 -10.905 -11.412 1.00 0.00 N ATOM 1426 CA THR A 94 -5.407 -11.048 -10.606 1.00 0.00 C ATOM 1427 C THR A 94 -6.623 -10.508 -11.352 1.00 0.00 C ATOM 1428 O THR A 94 -7.695 -11.113 -11.330 1.00 0.00 O ATOM 1429 CB THR A 94 -5.242 -10.295 -9.284 1.00 0.00 C ATOM 1430 OG1 THR A 94 -4.063 -10.741 -8.630 1.00 0.00 O ATOM 1431 CG2 THR A 94 -6.455 -10.558 -8.390 1.00 0.00 C ATOM 0 H THR A 94 -3.460 -10.351 -10.979 1.00 0.00 H new ATOM 0 HA THR A 94 -5.563 -12.108 -10.407 1.00 0.00 H new ATOM 0 HB THR A 94 -5.165 -9.226 -9.482 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.277 -10.402 -9.106 1.00 0.00 H new ATOM 0 HG21 THR A 94 -6.336 -10.021 -7.449 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.359 -10.214 -8.893 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.535 -11.627 -8.191 1.00 0.00 H new ATOM 1439 N LEU A 95 -6.450 -9.367 -12.010 1.00 0.00 N ATOM 1440 CA LEU A 95 -7.543 -8.757 -12.757 1.00 0.00 C ATOM 1441 C LEU A 95 -7.992 -9.671 -13.893 1.00 0.00 C ATOM 1442 O LEU A 95 -9.180 -9.746 -14.209 1.00 0.00 O ATOM 1443 CB LEU A 95 -7.096 -7.408 -13.327 1.00 0.00 C ATOM 1444 CG LEU A 95 -6.608 -6.506 -12.191 1.00 0.00 C ATOM 1445 CD1 LEU A 95 -6.228 -5.135 -12.754 1.00 0.00 C ATOM 1446 CD2 LEU A 95 -7.720 -6.336 -11.154 1.00 0.00 C ATOM 0 H LEU A 95 -5.571 -8.850 -12.041 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.382 -8.604 -12.078 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.299 -7.556 -14.055 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.924 -6.932 -13.853 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.738 -6.962 -11.719 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.881 -4.493 -11.945 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.434 -5.252 -13.491 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.099 -4.682 -13.228 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.369 -5.693 -10.347 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.592 -5.883 -11.626 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.992 -7.311 -10.750 1.00 0.00 H new ATOM 1458 N GLN A 96 -7.036 -10.366 -14.502 1.00 0.00 N ATOM 1459 CA GLN A 96 -7.349 -11.273 -15.601 1.00 0.00 C ATOM 1460 C GLN A 96 -8.299 -12.372 -15.135 1.00 0.00 C ATOM 1461 O GLN A 96 -9.179 -12.802 -15.880 1.00 0.00 O ATOM 1462 CB GLN A 96 -6.062 -11.902 -16.140 1.00 0.00 C ATOM 1463 CG GLN A 96 -5.172 -10.810 -16.739 1.00 0.00 C ATOM 1464 CD GLN A 96 -3.938 -11.436 -17.379 1.00 0.00 C ATOM 1465 OE1 GLN A 96 -3.111 -10.731 -17.956 1.00 0.00 O ATOM 1466 NE2 GLN A 96 -3.764 -12.728 -17.311 1.00 0.00 N ATOM 0 H GLN A 96 -6.047 -10.320 -14.256 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.834 -10.702 -16.393 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.533 -12.418 -15.338 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.299 -12.649 -16.898 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.730 -10.243 -17.484 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.872 -10.107 -15.962 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.451 -13.311 -16.832 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.941 -13.155 -17.737 1.00 0.00 H new ATOM 1475 N GLU A 97 -8.114 -12.819 -13.898 1.00 0.00 N ATOM 1476 CA GLU A 97 -8.960 -13.868 -13.339 1.00 0.00 C ATOM 1477 C GLU A 97 -10.408 -13.397 -13.252 1.00 0.00 C ATOM 1478 O GLU A 97 -11.340 -14.189 -13.391 1.00 0.00 O ATOM 1479 CB GLU A 97 -8.462 -14.252 -11.945 1.00 0.00 C ATOM 1480 CG GLU A 97 -7.062 -14.858 -12.053 1.00 0.00 C ATOM 1481 CD GLU A 97 -6.575 -15.297 -10.677 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -7.235 -14.968 -9.704 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -5.550 -15.957 -10.615 1.00 0.00 O ATOM 0 H GLU A 97 -7.391 -12.475 -13.266 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.911 -14.738 -13.994 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.441 -13.374 -11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.145 -14.967 -11.487 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.078 -15.711 -12.731 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.372 -14.127 -12.476 1.00 0.00 H new ATOM 1490 N LEU A 98 -10.589 -12.101 -13.016 1.00 0.00 N ATOM 1491 CA LEU A 98 -11.927 -11.533 -12.908 1.00 0.00 C ATOM 1492 C LEU A 98 -12.490 -11.210 -14.289 1.00 0.00 C ATOM 1493 O LEU A 98 -13.615 -10.729 -14.413 1.00 0.00 O ATOM 1494 CB LEU A 98 -11.887 -10.258 -12.061 1.00 0.00 C ATOM 1495 CG LEU A 98 -11.253 -10.563 -10.702 1.00 0.00 C ATOM 1496 CD1 LEU A 98 -11.300 -9.311 -9.825 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -12.028 -11.690 -10.016 1.00 0.00 C ATOM 0 H LEU A 98 -9.831 -11.429 -12.897 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.573 -12.269 -12.429 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.315 -9.486 -12.575 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.896 -9.869 -11.924 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.217 -10.869 -10.848 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.849 -9.528 -8.857 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.749 -8.506 -10.310 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.337 -9.006 -9.682 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.575 -11.906 -9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.064 -11.384 -9.872 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.997 -12.584 -10.639 1.00 0.00 H new ATOM 1509 N ASN A 99 -11.701 -11.480 -15.324 1.00 0.00 N ATOM 1510 CA ASN A 99 -12.139 -11.212 -16.689 1.00 0.00 C ATOM 1511 C ASN A 99 -12.433 -9.727 -16.877 1.00 0.00 C ATOM 1512 O ASN A 99 -13.502 -9.352 -17.357 1.00 0.00 O ATOM 1513 CB ASN A 99 -13.395 -12.026 -17.003 1.00 0.00 C ATOM 1514 CG ASN A 99 -13.583 -12.135 -18.512 1.00 0.00 C ATOM 1515 OD1 ASN A 99 -12.659 -11.854 -19.275 1.00 0.00 O ATOM 1516 ND2 ASN A 99 -14.731 -12.529 -18.991 1.00 0.00 N ATOM 0 H ASN A 99 -10.766 -11.880 -15.246 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.339 -11.501 -17.370 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.312 -13.021 -16.566 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.267 -11.552 -16.553 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.864 -12.605 -19.999 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -15.495 -12.761 -18.357 1.00 0.00 H new ATOM 1523 N VAL A 100 -11.477 -8.887 -16.492 1.00 0.00 N ATOM 1524 CA VAL A 100 -11.642 -7.444 -16.618 1.00 0.00 C ATOM 1525 C VAL A 100 -10.910 -6.932 -17.856 1.00 0.00 C ATOM 1526 O VAL A 100 -9.812 -7.389 -18.173 1.00 0.00 O ATOM 1527 CB VAL A 100 -11.098 -6.743 -15.370 1.00 0.00 C ATOM 1528 CG1 VAL A 100 -11.368 -5.240 -15.469 1.00 0.00 C ATOM 1529 CG2 VAL A 100 -11.793 -7.300 -14.125 1.00 0.00 C ATOM 0 H VAL A 100 -10.585 -9.179 -16.092 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.705 -7.224 -16.719 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.025 -6.918 -15.298 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.981 -4.741 -14.580 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.874 -4.839 -16.354 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -12.442 -5.067 -15.543 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.405 -6.800 -13.237 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.866 -7.126 -14.199 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.603 -8.371 -14.051 1.00 0.00 H new ATOM 1539 N SER A 101 -11.532 -5.987 -18.555 1.00 0.00 N ATOM 1540 CA SER A 101 -10.937 -5.426 -19.764 1.00 0.00 C ATOM 1541 C SER A 101 -9.518 -4.936 -19.495 1.00 0.00 C ATOM 1542 O SER A 101 -9.227 -4.388 -18.432 1.00 0.00 O ATOM 1543 CB SER A 101 -11.791 -4.264 -20.271 1.00 0.00 C ATOM 1544 OG SER A 101 -11.261 -3.794 -21.504 1.00 0.00 O ATOM 0 H SER A 101 -12.441 -5.596 -18.308 1.00 0.00 H new ATOM 0 HA SER A 101 -10.897 -6.210 -20.521 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.823 -4.588 -20.406 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.803 -3.459 -19.537 1.00 0.00 H new ATOM 0 HG SER A 101 -11.808 -3.050 -21.833 1.00 0.00 H new ATOM 1550 N GLN A 102 -8.639 -5.145 -20.471 1.00 0.00 N ATOM 1551 CA GLN A 102 -7.244 -4.731 -20.346 1.00 0.00 C ATOM 1552 C GLN A 102 -7.135 -3.227 -20.115 1.00 0.00 C ATOM 1553 O GLN A 102 -6.252 -2.766 -19.391 1.00 0.00 O ATOM 1554 CB GLN A 102 -6.478 -5.106 -21.616 1.00 0.00 C ATOM 1555 CG GLN A 102 -4.980 -4.887 -21.393 1.00 0.00 C ATOM 1556 CD GLN A 102 -4.420 -5.989 -20.501 1.00 0.00 C ATOM 1557 OE1 GLN A 102 -3.239 -5.968 -20.154 1.00 0.00 O ATOM 1558 NE2 GLN A 102 -5.201 -6.958 -20.107 1.00 0.00 N ATOM 0 H GLN A 102 -8.867 -5.598 -21.356 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.813 -5.245 -19.487 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.669 -6.147 -21.875 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -6.824 -4.501 -22.454 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.458 -4.882 -22.350 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.811 -3.914 -20.933 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.179 -6.974 -20.395 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.833 -7.699 -19.511 1.00 0.00 H new ATOM 1567 N ASP A 103 -8.024 -2.463 -20.742 1.00 0.00 N ATOM 1568 CA ASP A 103 -7.996 -1.011 -20.599 1.00 0.00 C ATOM 1569 C ASP A 103 -8.020 -0.613 -19.127 1.00 0.00 C ATOM 1570 O ASP A 103 -7.306 0.300 -18.711 1.00 0.00 O ATOM 1571 CB ASP A 103 -9.198 -0.394 -21.315 1.00 0.00 C ATOM 1572 CG ASP A 103 -9.063 -0.587 -22.821 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -7.993 -0.981 -23.254 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -10.032 -0.338 -23.519 1.00 0.00 O ATOM 0 H ASP A 103 -8.764 -2.819 -21.347 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.074 -0.640 -21.047 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.119 -0.857 -20.962 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.265 0.668 -21.081 1.00 0.00 H new ATOM 1579 N LEU A 104 -8.838 -1.303 -18.340 1.00 0.00 N ATOM 1580 CA LEU A 104 -8.933 -1.008 -16.915 1.00 0.00 C ATOM 1581 C LEU A 104 -7.616 -1.332 -16.218 1.00 0.00 C ATOM 1582 O LEU A 104 -7.191 -0.621 -15.307 1.00 0.00 O ATOM 1583 CB LEU A 104 -10.062 -1.826 -16.283 1.00 0.00 C ATOM 1584 CG LEU A 104 -11.382 -1.519 -16.993 1.00 0.00 C ATOM 1585 CD1 LEU A 104 -12.514 -2.299 -16.320 1.00 0.00 C ATOM 1586 CD2 LEU A 104 -11.678 -0.020 -16.899 1.00 0.00 C ATOM 0 H LEU A 104 -9.439 -2.063 -18.660 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.147 0.054 -16.795 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.838 -2.890 -16.356 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.145 -1.590 -15.222 1.00 0.00 H new ATOM 0 HG LEU A 104 -11.306 -1.811 -18.040 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.456 -2.082 -16.824 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.307 -3.367 -16.383 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.587 -2.004 -15.273 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.619 0.198 -17.405 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.754 0.271 -15.851 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.873 0.540 -17.374 1.00 0.00 H new ATOM 1598 N ILE A 105 -6.974 -2.411 -16.654 1.00 0.00 N ATOM 1599 CA ILE A 105 -5.705 -2.824 -16.068 1.00 0.00 C ATOM 1600 C ILE A 105 -4.652 -1.736 -16.242 1.00 0.00 C ATOM 1601 O ILE A 105 -3.853 -1.482 -15.341 1.00 0.00 O ATOM 1602 CB ILE A 105 -5.222 -4.116 -16.728 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -6.242 -5.229 -16.475 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -3.869 -4.520 -16.135 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -5.828 -6.485 -17.242 1.00 0.00 C ATOM 0 H ILE A 105 -7.310 -3.012 -17.407 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.858 -2.995 -15.002 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.114 -3.957 -17.801 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.303 -5.445 -15.408 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.234 -4.907 -16.792 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.526 -5.441 -16.606 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.142 -3.728 -16.314 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.975 -4.679 -15.062 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.554 -7.277 -17.062 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.790 -6.264 -18.309 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.844 -6.811 -16.903 1.00 0.00 H new ATOM 1617 N ASP A 106 -4.653 -1.097 -17.408 1.00 0.00 N ATOM 1618 CA ASP A 106 -3.689 -0.040 -17.687 1.00 0.00 C ATOM 1619 C ASP A 106 -3.819 1.089 -16.668 1.00 0.00 C ATOM 1620 O ASP A 106 -2.818 1.643 -16.214 1.00 0.00 O ATOM 1621 CB ASP A 106 -3.915 0.513 -19.095 1.00 0.00 C ATOM 1622 CG ASP A 106 -3.584 -0.554 -20.132 1.00 0.00 C ATOM 1623 OD1 ASP A 106 -2.987 -1.551 -19.759 1.00 0.00 O ATOM 1624 OD2 ASP A 106 -3.931 -0.359 -21.286 1.00 0.00 O ATOM 0 H ASP A 106 -5.305 -1.291 -18.168 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.686 -0.462 -17.618 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.951 0.832 -19.207 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.291 1.393 -19.254 1.00 0.00 H new ATOM 1629 N GLU A 107 -5.055 1.422 -16.312 1.00 0.00 N ATOM 1630 CA GLU A 107 -5.299 2.486 -15.345 1.00 0.00 C ATOM 1631 C GLU A 107 -4.703 2.121 -13.990 1.00 0.00 C ATOM 1632 O GLU A 107 -4.160 2.975 -13.288 1.00 0.00 O ATOM 1633 CB GLU A 107 -6.803 2.724 -15.198 1.00 0.00 C ATOM 1634 CG GLU A 107 -7.044 3.940 -14.302 1.00 0.00 C ATOM 1635 CD GLU A 107 -6.586 5.210 -15.011 1.00 0.00 C ATOM 1636 OE1 GLU A 107 -6.551 5.204 -16.230 1.00 0.00 O ATOM 1637 OE2 GLU A 107 -6.277 6.170 -14.325 1.00 0.00 O ATOM 0 H GLU A 107 -5.897 0.975 -16.675 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.823 3.398 -15.706 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.253 2.886 -16.177 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.281 1.843 -14.769 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.103 4.014 -14.053 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.503 3.823 -13.363 1.00 0.00 H new ATOM 1644 N VAL A 108 -4.807 0.847 -13.629 1.00 0.00 N ATOM 1645 CA VAL A 108 -4.275 0.375 -12.356 1.00 0.00 C ATOM 1646 C VAL A 108 -2.756 0.507 -12.325 1.00 0.00 C ATOM 1647 O VAL A 108 -2.176 0.883 -11.306 1.00 0.00 O ATOM 1648 CB VAL A 108 -4.665 -1.089 -12.142 1.00 0.00 C ATOM 1649 CG1 VAL A 108 -3.965 -1.628 -10.892 1.00 0.00 C ATOM 1650 CG2 VAL A 108 -6.180 -1.189 -11.961 1.00 0.00 C ATOM 0 H VAL A 108 -5.252 0.126 -14.196 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.696 0.987 -11.558 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.361 -1.677 -13.008 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.243 -2.671 -10.740 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.885 -1.556 -11.020 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.268 -1.042 -10.024 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.460 -2.231 -11.808 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.482 -0.601 -11.094 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.679 -0.806 -12.851 1.00 0.00 H new ATOM 1660 N VAL A 109 -2.120 0.194 -13.448 1.00 0.00 N ATOM 1661 CA VAL A 109 -0.667 0.276 -13.541 1.00 0.00 C ATOM 1662 C VAL A 109 -0.187 1.707 -13.314 1.00 0.00 C ATOM 1663 O VAL A 109 0.819 1.935 -12.642 1.00 0.00 O ATOM 1664 CB VAL A 109 -0.209 -0.200 -14.920 1.00 0.00 C ATOM 1665 CG1 VAL A 109 1.291 0.059 -15.076 1.00 0.00 C ATOM 1666 CG2 VAL A 109 -0.484 -1.698 -15.060 1.00 0.00 C ATOM 0 H VAL A 109 -2.584 -0.117 -14.302 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.239 -0.363 -12.769 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.755 0.343 -15.692 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.618 -0.280 -16.059 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.488 1.126 -14.976 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.836 -0.485 -14.304 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.158 -2.038 -16.043 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.061 -2.242 -14.289 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.552 -1.884 -14.948 1.00 0.00 H new ATOM 1676 N THR A 110 -0.907 2.665 -13.886 1.00 0.00 N ATOM 1677 CA THR A 110 -0.540 4.070 -13.751 1.00 0.00 C ATOM 1678 C THR A 110 -0.522 4.503 -12.286 1.00 0.00 C ATOM 1679 O THR A 110 0.362 5.249 -11.865 1.00 0.00 O ATOM 1680 CB THR A 110 -1.528 4.943 -14.528 1.00 0.00 C ATOM 1681 OG1 THR A 110 -1.579 4.506 -15.879 1.00 0.00 O ATOM 1682 CG2 THR A 110 -1.072 6.402 -14.478 1.00 0.00 C ATOM 0 H THR A 110 -1.744 2.496 -14.445 1.00 0.00 H new ATOM 0 HA THR A 110 0.464 4.194 -14.158 1.00 0.00 H new ATOM 0 HB THR A 110 -2.518 4.860 -14.080 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.112 3.686 -15.938 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.777 7.023 -15.032 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.032 6.735 -13.441 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.082 6.489 -14.926 1.00 0.00 H new ATOM 1690 N ILE A 111 -1.501 4.041 -11.515 1.00 0.00 N ATOM 1691 CA ILE A 111 -1.577 4.404 -10.103 1.00 0.00 C ATOM 1692 C ILE A 111 -0.312 3.977 -9.364 1.00 0.00 C ATOM 1693 O ILE A 111 0.293 4.770 -8.640 1.00 0.00 O ATOM 1694 CB ILE A 111 -2.794 3.747 -9.454 1.00 0.00 C ATOM 1695 CG1 ILE A 111 -4.065 4.210 -10.171 1.00 0.00 C ATOM 1696 CG2 ILE A 111 -2.862 4.153 -7.981 1.00 0.00 C ATOM 1697 CD1 ILE A 111 -5.268 3.424 -9.644 1.00 0.00 C ATOM 0 H ILE A 111 -2.245 3.422 -11.838 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.672 5.488 -10.037 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.709 2.663 -9.530 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.217 5.277 -10.010 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.963 4.061 -11.246 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.729 3.686 -7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.956 3.826 -7.471 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.949 5.237 -7.906 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.172 3.755 -10.156 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.116 2.360 -9.827 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.374 3.596 -8.573 1.00 0.00 H new ATOM 1709 N VAL A 112 0.083 2.721 -9.548 1.00 0.00 N ATOM 1710 CA VAL A 112 1.279 2.203 -8.892 1.00 0.00 C ATOM 1711 C VAL A 112 2.532 2.622 -9.654 1.00 0.00 C ATOM 1712 O VAL A 112 3.635 2.612 -9.108 1.00 0.00 O ATOM 1713 CB VAL A 112 1.216 0.677 -8.811 1.00 0.00 C ATOM 1714 CG1 VAL A 112 -0.096 0.250 -8.150 1.00 0.00 C ATOM 1715 CG2 VAL A 112 1.290 0.089 -10.221 1.00 0.00 C ATOM 0 H VAL A 112 -0.403 2.048 -10.141 1.00 0.00 H new ATOM 0 HA VAL A 112 1.323 2.617 -7.885 1.00 0.00 H new ATOM 0 HB VAL A 112 2.055 0.312 -8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.138 -0.838 -8.094 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -0.150 0.668 -7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -0.936 0.615 -8.740 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.245 -0.999 -10.164 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.452 0.456 -10.813 1.00 0.00 H new ATOM 0 HG23 VAL A 112 2.226 0.390 -10.692 1.00 0.00 H new ATOM 1725 N GLY A 113 2.353 2.981 -10.921 1.00 0.00 N ATOM 1726 CA GLY A 113 3.475 3.393 -11.757 1.00 0.00 C ATOM 1727 C GLY A 113 4.134 4.656 -11.215 1.00 0.00 C ATOM 1728 O GLY A 113 5.015 5.229 -11.854 1.00 0.00 O ATOM 0 H GLY A 113 1.447 2.995 -11.389 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.209 2.589 -11.806 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.127 3.570 -12.775 1.00 0.00 H new ATOM 1732 N SER A 114 3.704 5.089 -10.033 1.00 0.00 N ATOM 1733 CA SER A 114 4.268 6.289 -9.426 1.00 0.00 C ATOM 1734 C SER A 114 5.769 6.122 -9.211 1.00 0.00 C ATOM 1735 O SER A 114 6.220 5.110 -8.675 1.00 0.00 O ATOM 1736 CB SER A 114 3.588 6.563 -8.084 1.00 0.00 C ATOM 1737 OG SER A 114 2.193 6.737 -8.291 1.00 0.00 O ATOM 0 H SER A 114 2.976 4.633 -9.483 1.00 0.00 H new ATOM 0 HA SER A 114 4.098 7.130 -10.098 1.00 0.00 H new ATOM 0 HB2 SER A 114 3.765 5.735 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.013 7.455 -7.623 1.00 0.00 H new ATOM 0 HG SER A 114 1.764 5.861 -8.385 1.00 0.00 H new ATOM 1743 N VAL A 115 6.536 7.122 -9.634 1.00 0.00 N ATOM 1744 CA VAL A 115 7.986 7.077 -9.483 1.00 0.00 C ATOM 1745 C VAL A 115 8.388 7.219 -8.018 1.00 0.00 C ATOM 1746 O VAL A 115 9.305 6.545 -7.547 1.00 0.00 O ATOM 1747 CB VAL A 115 8.630 8.201 -10.295 1.00 0.00 C ATOM 1748 CG1 VAL A 115 10.132 8.239 -10.011 1.00 0.00 C ATOM 1749 CG2 VAL A 115 8.401 7.948 -11.786 1.00 0.00 C ATOM 0 H VAL A 115 6.181 7.967 -10.081 1.00 0.00 H new ATOM 0 HA VAL A 115 8.334 6.111 -9.849 1.00 0.00 H new ATOM 0 HB VAL A 115 8.182 9.154 -10.014 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.592 9.040 -10.590 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.297 8.418 -8.949 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.580 7.286 -10.292 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.860 8.749 -12.366 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.849 6.995 -12.066 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.331 7.920 -11.990 1.00 0.00 H new ATOM 1759 N GLN A 116 7.707 8.112 -7.307 1.00 0.00 N ATOM 1760 CA GLN A 116 8.014 8.349 -5.901 1.00 0.00 C ATOM 1761 C GLN A 116 7.887 7.069 -5.079 1.00 0.00 C ATOM 1762 O GLN A 116 8.724 6.792 -4.222 1.00 0.00 O ATOM 1763 CB GLN A 116 7.075 9.414 -5.334 1.00 0.00 C ATOM 1764 CG GLN A 116 7.528 9.794 -3.923 1.00 0.00 C ATOM 1765 CD GLN A 116 6.621 10.880 -3.356 1.00 0.00 C ATOM 1766 OE1 GLN A 116 5.766 11.410 -4.066 1.00 0.00 O ATOM 1767 NE2 GLN A 116 6.758 11.246 -2.112 1.00 0.00 N ATOM 0 H GLN A 116 6.945 8.679 -7.678 1.00 0.00 H new ATOM 0 HA GLN A 116 9.046 8.695 -5.839 1.00 0.00 H new ATOM 0 HB2 GLN A 116 7.075 10.294 -5.977 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.052 9.037 -5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 116 7.505 8.917 -3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.559 10.146 -3.946 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.467 10.805 -1.526 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.156 11.973 -1.725 1.00 0.00 H new ATOM 1776 N HIS A 117 6.837 6.293 -5.337 1.00 0.00 N ATOM 1777 CA HIS A 117 6.633 5.053 -4.597 1.00 0.00 C ATOM 1778 C HIS A 117 7.778 4.081 -4.859 1.00 0.00 C ATOM 1779 O HIS A 117 8.324 3.485 -3.932 1.00 0.00 O ATOM 1780 CB HIS A 117 5.303 4.408 -4.991 1.00 0.00 C ATOM 1781 CG HIS A 117 4.979 3.312 -4.013 1.00 0.00 C ATOM 1782 ND1 HIS A 117 5.251 3.431 -2.661 1.00 0.00 N ATOM 1783 CD2 HIS A 117 4.390 2.082 -4.171 1.00 0.00 C ATOM 1784 CE1 HIS A 117 4.831 2.304 -2.059 1.00 0.00 C ATOM 1785 NE2 HIS A 117 4.296 1.444 -2.935 1.00 0.00 N ATOM 0 H HIS A 117 6.127 6.496 -6.040 1.00 0.00 H new ATOM 0 HA HIS A 117 6.609 5.290 -3.533 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.509 5.155 -4.995 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.366 4.004 -6.001 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.691 4.230 -2.204 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.051 1.671 -5.110 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.915 2.116 -0.999 1.00 0.00 H new ATOM 1793 N ARG A 118 8.141 3.930 -6.127 1.00 0.00 N ATOM 1794 CA ARG A 118 9.230 3.032 -6.492 1.00 0.00 C ATOM 1795 C ARG A 118 10.527 3.466 -5.815 1.00 0.00 C ATOM 1796 O ARG A 118 11.293 2.636 -5.323 1.00 0.00 O ATOM 1797 CB ARG A 118 9.417 3.032 -8.010 1.00 0.00 C ATOM 1798 CG ARG A 118 10.490 2.012 -8.394 1.00 0.00 C ATOM 1799 CD ARG A 118 10.709 2.054 -9.907 1.00 0.00 C ATOM 1800 NE ARG A 118 11.650 1.017 -10.311 1.00 0.00 N ATOM 1801 CZ ARG A 118 11.618 0.500 -11.535 1.00 0.00 C ATOM 1802 NH1 ARG A 118 10.731 0.917 -12.396 1.00 0.00 N ATOM 1803 NH2 ARG A 118 12.475 -0.425 -11.875 1.00 0.00 N ATOM 0 H ARG A 118 7.703 4.412 -6.912 1.00 0.00 H new ATOM 0 HA ARG A 118 8.978 2.025 -6.158 1.00 0.00 H new ATOM 0 HB2 ARG A 118 8.476 2.788 -8.503 1.00 0.00 H new ATOM 0 HB3 ARG A 118 9.707 4.026 -8.351 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.422 2.234 -7.874 1.00 0.00 H new ATOM 0 HG3 ARG A 118 10.184 1.012 -8.087 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.759 1.914 -10.423 1.00 0.00 H new ATOM 0 HD3 ARG A 118 11.089 3.033 -10.199 1.00 0.00 H new ATOM 0 HE ARG A 118 12.345 0.682 -9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 118 10.062 1.640 -12.130 1.00 0.00 H new ATOM 0 HH12 ARG A 118 10.706 0.520 -13.335 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.168 -0.750 -11.201 1.00 0.00 H new ATOM 0 HH22 ARG A 118 12.451 -0.822 -12.814 1.00 0.00 H new ATOM 1817 N ASN A 119 10.764 4.774 -5.794 1.00 0.00 N ATOM 1818 CA ASN A 119 11.969 5.314 -5.177 1.00 0.00 C ATOM 1819 C ASN A 119 12.033 4.939 -3.700 1.00 0.00 C ATOM 1820 O ASN A 119 13.109 4.679 -3.163 1.00 0.00 O ATOM 1821 CB ASN A 119 11.990 6.837 -5.321 1.00 0.00 C ATOM 1822 CG ASN A 119 12.074 7.218 -6.795 1.00 0.00 C ATOM 1823 OD1 ASN A 119 12.437 6.391 -7.632 1.00 0.00 O ATOM 1824 ND2 ASN A 119 11.756 8.428 -7.167 1.00 0.00 N ATOM 0 H ASN A 119 10.141 5.475 -6.195 1.00 0.00 H new ATOM 0 HA ASN A 119 12.835 4.888 -5.684 1.00 0.00 H new ATOM 0 HB2 ASN A 119 11.092 7.265 -4.876 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.842 7.250 -4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.808 8.689 -8.152 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.455 9.112 -6.473 1.00 0.00 H new ATOM 1831 N ASP A 120 10.875 4.917 -3.046 1.00 0.00 N ATOM 1832 CA ASP A 120 10.820 4.574 -1.630 1.00 0.00 C ATOM 1833 C ASP A 120 11.400 3.185 -1.394 1.00 0.00 C ATOM 1834 O ASP A 120 12.065 2.945 -0.389 1.00 0.00 O ATOM 1835 CB ASP A 120 9.375 4.622 -1.128 1.00 0.00 C ATOM 1836 CG ASP A 120 8.861 6.058 -1.159 1.00 0.00 C ATOM 1837 OD1 ASP A 120 9.674 6.954 -1.320 1.00 0.00 O ATOM 1838 OD2 ASP A 120 7.663 6.240 -1.019 1.00 0.00 O ATOM 0 H ASP A 120 9.972 5.130 -3.469 1.00 0.00 H new ATOM 0 HA ASP A 120 11.414 5.303 -1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.744 3.987 -1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 120 9.320 4.229 -0.113 1.00 0.00 H new ATOM 1843 N VAL A 121 11.148 2.271 -2.326 1.00 0.00 N ATOM 1844 CA VAL A 121 11.660 0.911 -2.196 1.00 0.00 C ATOM 1845 C VAL A 121 13.187 0.920 -2.153 1.00 0.00 C ATOM 1846 O VAL A 121 13.797 0.220 -1.345 1.00 0.00 O ATOM 1847 CB VAL A 121 11.176 0.053 -3.368 1.00 0.00 C ATOM 1848 CG1 VAL A 121 11.895 -1.298 -3.349 1.00 0.00 C ATOM 1849 CG2 VAL A 121 9.667 -0.175 -3.242 1.00 0.00 C ATOM 0 H VAL A 121 10.600 2.443 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 121 11.285 0.486 -1.265 1.00 0.00 H new ATOM 0 HB VAL A 121 11.393 0.566 -4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.548 -1.906 -4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 121 12.970 -1.139 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 121 11.680 -1.812 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.320 -0.786 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.453 -0.687 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.151 0.785 -3.257 1.00 0.00 H new ATOM 1859 N LEU A 122 13.797 1.721 -3.022 1.00 0.00 N ATOM 1860 CA LEU A 122 15.255 1.815 -3.066 1.00 0.00 C ATOM 1861 C LEU A 122 15.776 2.680 -1.920 1.00 0.00 C ATOM 1862 O LEU A 122 16.964 2.648 -1.598 1.00 0.00 O ATOM 1863 CB LEU A 122 15.703 2.398 -4.410 1.00 0.00 C ATOM 1864 CG LEU A 122 15.165 1.525 -5.549 1.00 0.00 C ATOM 1865 CD1 LEU A 122 15.642 2.080 -6.891 1.00 0.00 C ATOM 1866 CD2 LEU A 122 15.682 0.093 -5.384 1.00 0.00 C ATOM 0 H LEU A 122 13.311 2.309 -3.699 1.00 0.00 H new ATOM 0 HA LEU A 122 15.668 0.812 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 122 15.337 3.419 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 122 16.791 2.443 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 122 14.075 1.528 -5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 122 15.258 1.458 -7.699 1.00 0.00 H new ATOM 0 HD12 LEU A 122 15.277 3.100 -7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 122 16.732 2.079 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 122 15.299 -0.528 -6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 122 16.772 0.094 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 122 15.344 -0.308 -4.429 1.00 0.00 H new ATOM 1878 N ASN A 123 14.878 3.446 -1.307 1.00 0.00 N ATOM 1879 CA ASN A 123 15.245 4.315 -0.189 1.00 0.00 C ATOM 1880 C ASN A 123 16.289 5.354 -0.594 1.00 0.00 C ATOM 1881 O ASN A 123 17.280 5.548 0.111 1.00 0.00 O ATOM 1882 CB ASN A 123 15.790 3.484 0.978 1.00 0.00 C ATOM 1883 CG ASN A 123 14.702 2.572 1.534 1.00 0.00 C ATOM 1884 OD1 ASN A 123 13.515 2.853 1.380 1.00 0.00 O ATOM 1885 ND2 ASN A 123 15.040 1.489 2.179 1.00 0.00 N ATOM 0 H ASN A 123 13.892 3.484 -1.564 1.00 0.00 H new ATOM 0 HA ASN A 123 14.340 4.839 0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.638 2.887 0.643 1.00 0.00 H new ATOM 0 HB3 ASN A 123 16.156 4.145 1.764 1.00 0.00 H new ATOM 0 HD21 ASN A 123 14.319 0.874 2.556 1.00 0.00 H new ATOM 0 HD22 ASN A 123 16.025 1.257 2.306 1.00 0.00 H new ATOM 1892 N ARG A 124 16.064 6.034 -1.715 1.00 0.00 N ATOM 1893 CA ARG A 124 17.006 7.059 -2.160 1.00 0.00 C ATOM 1894 C ARG A 124 16.619 8.417 -1.582 1.00 0.00 C ATOM 1895 O ARG A 124 16.893 8.642 -0.414 1.00 0.00 O ATOM 1896 CB ARG A 124 17.038 7.156 -3.687 1.00 0.00 C ATOM 1897 CG ARG A 124 17.637 5.880 -4.285 1.00 0.00 C ATOM 1898 CD ARG A 124 18.328 6.224 -5.606 1.00 0.00 C ATOM 1899 NE ARG A 124 19.581 6.927 -5.341 1.00 0.00 N ATOM 1900 CZ ARG A 124 20.565 6.949 -6.236 1.00 0.00 C ATOM 1901 NH1 ARG A 124 20.412 6.363 -7.392 1.00 0.00 N ATOM 1902 NH2 ARG A 124 21.684 7.563 -5.958 1.00 0.00 N ATOM 1903 OXT ARG A 124 16.055 9.211 -2.316 1.00 0.00 O ATOM 0 H ARG A 124 15.255 5.899 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 124 17.996 6.774 -1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.029 7.307 -4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 124 17.628 8.021 -3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 124 18.352 5.439 -3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 124 16.855 5.139 -4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 124 18.524 5.313 -6.172 1.00 0.00 H new ATOM 0 HD3 ARG A 124 17.674 6.845 -6.218 1.00 0.00 H new ATOM 0 HE ARG A 124 19.704 7.411 -4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 124 19.537 5.887 -7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 124 21.168 6.381 -8.077 1.00 0.00 H new ATOM 0 HH21 ARG A 124 21.802 8.024 -5.056 1.00 0.00 H new ATOM 0 HH22 ARG A 124 22.440 7.581 -6.643 1.00 0.00 H new TER 1917 ARG A 124 HETATM 1918 FE HEB A 125 4.971 -2.282 2.308 1.00 0.00 FE HETATM 1919 CHA HEB A 125 4.595 -2.457 5.669 1.00 0.00 C HETATM 1920 CHB HEB A 125 2.831 0.335 2.206 1.00 0.00 C HETATM 1921 CHC HEB A 125 5.331 -2.129 -1.058 1.00 0.00 C HETATM 1922 CHD HEB A 125 7.037 -4.963 2.401 1.00 0.00 C HETATM 1923 NA HEB A 125 3.946 -1.277 3.643 1.00 0.00 N HETATM 1924 C1A HEB A 125 3.909 -1.471 5.007 1.00 0.00 C HETATM 1925 C2A HEB A 125 3.040 -0.519 5.655 1.00 0.00 C HETATM 1926 C3A HEB A 125 2.528 0.262 4.674 1.00 0.00 C HETATM 1927 C4A HEB A 125 3.098 -0.211 3.436 1.00 0.00 C HETATM 1928 CMA HEB A 125 1.545 1.375 4.835 1.00 0.00 C HETATM 1929 CAA HEB A 125 2.779 -0.403 7.121 1.00 0.00 C HETATM 1930 CBA HEB A 125 1.716 -1.392 7.602 1.00 0.00 C HETATM 1931 CGA HEB A 125 1.709 -1.447 9.126 1.00 0.00 C HETATM 1932 O1A HEB A 125 2.714 -1.090 9.717 1.00 0.00 O HETATM 1933 O2A HEB A 125 0.696 -1.847 9.681 1.00 0.00 O HETATM 1934 NB HEB A 125 4.244 -1.142 0.886 1.00 0.00 N HETATM 1935 C1B HEB A 125 3.360 -0.093 1.017 1.00 0.00 C HETATM 1936 C2B HEB A 125 3.053 0.507 -0.252 1.00 0.00 C HETATM 1937 C3B HEB A 125 3.752 -0.171 -1.190 1.00 0.00 C HETATM 1938 C4B HEB A 125 4.495 -1.200 -0.475 1.00 0.00 C HETATM 1939 CMB HEB A 125 2.137 1.660 -0.488 1.00 0.00 C HETATM 1940 CAB HEB A 125 3.719 0.101 -2.665 1.00 0.00 C HETATM 1941 CBB HEB A 125 2.297 0.069 -3.226 1.00 0.00 C HETATM 1942 NC HEB A 125 5.966 -3.310 0.973 1.00 0.00 N HETATM 1943 C1C HEB A 125 6.013 -3.111 -0.389 1.00 0.00 C HETATM 1944 C2C HEB A 125 6.864 -4.077 -1.034 1.00 0.00 C HETATM 1945 C3C HEB A 125 7.343 -4.880 -0.059 1.00 0.00 C HETATM 1946 C4C HEB A 125 6.783 -4.401 1.177 1.00 0.00 C HETATM 1947 CMC HEB A 125 7.159 -4.173 -2.491 1.00 0.00 C HETATM 1948 CAC HEB A 125 8.200 -5.949 -0.218 1.00 0.00 C HETATM 1949 CBC HEB A 125 7.834 -7.046 -0.972 1.00 0.00 C HETATM 1950 ND HEB A 125 5.666 -3.450 3.723 1.00 0.00 N HETATM 1951 C1D HEB A 125 6.520 -4.526 3.595 1.00 0.00 C HETATM 1952 C2D HEB A 125 6.803 -5.133 4.876 1.00 0.00 C HETATM 1953 C3D HEB A 125 6.110 -4.423 5.798 1.00 0.00 C HETATM 1954 C4D HEB A 125 5.413 -3.385 5.077 1.00 0.00 C HETATM 1955 CMD HEB A 125 7.687 -6.308 5.139 1.00 0.00 C HETATM 1956 CAD HEB A 125 6.060 -4.675 7.269 1.00 0.00 C HETATM 1957 CBD HEB A 125 7.010 -3.765 8.051 1.00 0.00 C HETATM 1958 CGD HEB A 125 6.467 -3.535 9.459 1.00 0.00 C HETATM 1959 O1D HEB A 125 6.681 -2.455 9.987 1.00 0.00 O HETATM 1960 O2D HEB A 125 5.846 -4.442 9.988 1.00 0.00 O HETATM 0 HMD3 HEB A 125 7.311 -7.175 4.596 1.00 0.00 H new HETATM 0 HMD2 HEB A 125 8.700 -6.083 4.806 1.00 0.00 H new HETATM 0 HMD1 HEB A 125 7.696 -6.525 6.207 1.00 0.00 H new HETATM 0 HMC3 HEB A 125 6.231 -4.334 -3.040 1.00 0.00 H new HETATM 0 HMC2 HEB A 125 7.625 -3.248 -2.830 1.00 0.00 H new HETATM 0 HMC1 HEB A 125 7.837 -5.007 -2.671 1.00 0.00 H new HETATM 0 HMB3 HEB A 125 1.135 1.405 -0.143 1.00 0.00 H new HETATM 0 HMB2 HEB A 125 2.499 2.530 0.059 1.00 0.00 H new HETATM 0 HMB1 HEB A 125 2.106 1.888 -1.553 1.00 0.00 H new HETATM 0 HMA3 HEB A 125 0.625 0.987 5.272 1.00 0.00 H new HETATM 0 HMA2 HEB A 125 1.964 2.139 5.490 1.00 0.00 H new HETATM 0 HMA1 HEB A 125 1.328 1.812 3.860 1.00 0.00 H new HETATM 0 HBD2 HEB A 125 8.000 -4.217 8.103 1.00 0.00 H new HETATM 0 HBD1 HEB A 125 7.122 -2.812 7.535 1.00 0.00 H new HETATM 0 HBC2 HEB A 125 8.523 -7.882 -1.088 1.00 0.00 H new HETATM 0 HBC1 HEB A 125 6.856 -7.076 -1.452 1.00 0.00 H new HETATM 0 HBB3 HEB A 125 1.860 -0.914 -3.053 1.00 0.00 H new HETATM 0 HBB2 HEB A 125 1.692 0.827 -2.728 1.00 0.00 H new HETATM 0 HBB1 HEB A 125 2.324 0.271 -4.297 1.00 0.00 H new HETATM 0 HBA2 HEB A 125 0.735 -1.091 7.236 1.00 0.00 H new HETATM 0 HBA1 HEB A 125 1.918 -2.383 7.195 1.00 0.00 H new HETATM 0 HAD2 HEB A 125 5.041 -4.524 7.626 1.00 0.00 H new HETATM 0 HAD1 HEB A 125 6.316 -5.716 7.465 1.00 0.00 H new HETATM 0 HAA2 HEB A 125 3.706 -0.575 7.667 1.00 0.00 H new HETATM 0 HAA1 HEB A 125 2.458 0.613 7.351 1.00 0.00 H new HETATM 0 HHD HEB A 125 7.703 -5.826 2.428 1.00 0.00 H new HETATM 0 HHC HEB A 125 5.460 -2.078 -2.139 1.00 0.00 H new HETATM 0 HHB HEB A 125 2.141 1.178 2.172 1.00 0.00 H new HETATM 0 HHA HEB A 125 4.481 -2.507 6.752 1.00 0.00 H new HETATM 0 HAC HEB A 125 9.180 -5.927 0.258 1.00 0.00 H new HETATM 0 HAB HEB A 125 4.329 -0.639 -3.183 1.00 0.00 H new