USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 ASN :FLIP amide:sc= -0.135 X(o=-2.5,f=-2) USER MOD Set 1.2: A 106 ASN : amide:sc= -1.84 X(o=-2,f=-2.5!) USER MOD Set 2.1: A 15 HIS : no HE2:sc= -1.35 K(o=-1.4,f=-2.6) USER MOD Set 2.2: A 89 THR OG1 : rot -58:sc= -0.0095 USER MOD Set 3.1: A 74 ASN :FLIP amide:sc= -4.75! C(o=-8.5!,f=-6.2!) USER MOD Set 3.2: A 77 ASN : amide:sc= -1.41 X(o=-6.2,f=-6.2) USER MOD Set 4.1: A 51 THR OG1 : rot 146:sc= -0.0599 USER MOD Set 4.2: A 53 TYR OH : rot 180:sc= 0.0576 USER MOD Set 5.1: A 46 ASN :FLIP amide:sc= 1.15 F(o=0.29,f=1.5) USER MOD Set 5.2: A 50 SER OG : rot -99:sc= 0.314 USER MOD Set 6.1: A 1 LYS NZ :NH3+ -174:sc= -4.08! (180deg=-4.08!) USER MOD Set 6.2: A 41 GLN : amide:sc= 0.0468 K(o=-4,f=-10!) USER MOD Set 7.1: A 24 SER OG : rot -31:sc= 1.22 USER MOD Set 7.2: A 27 ASN : amide:sc= -1.86! C(o=-0.65!,f=-8.3!) USER MOD Single : A 1 LYS N :NH3+ 167:sc= -1.52 (180deg=-1.83!) USER MOD Single : A 12 MET CE :methyl -128:sc= -11.5! (180deg=-13.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -147:sc= 0.493 (180deg=0.0465) USER MOD Single : A 36 SER OG : rot -94:sc= -1.61! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -3.34! C(o=-3.3!,f=-7.9!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00122 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN :FLIP amide:sc= -2.82! C(o=-4.2!,f=-2.8!) USER MOD Single : A 59 ASN : amide:sc= -5.25! C(o=-5.2!,f=-9.1!) USER MOD Single : A 60 SER OG : rot -100:sc= 0.956 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0628 F(o=-1.2,f=-0.063) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0531 USER MOD Single : A 72 SER OG : rot 108:sc= -0.807 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -46:sc= 0.623 USER MOD Single : A 91 SER OG : rot 169:sc= -1.23 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.326 F(o=-1.9,f=-0.33) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -26:sc= 0.32 USER MOD Single : A 105 MET CE :methyl -151:sc= -1.62 (180deg=-4.5!) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -66:sc= 1.02 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.251 -9.421 0.097 1.00 0.00 N ATOM 2 CA LYS A 1 -5.976 -10.124 0.396 1.00 0.00 C ATOM 3 C LYS A 1 -4.810 -9.143 0.469 1.00 0.00 C ATOM 4 O LYS A 1 -4.788 -8.135 -0.238 1.00 0.00 O ATOM 5 CB LYS A 1 -5.722 -11.167 -0.696 1.00 0.00 C ATOM 6 CG LYS A 1 -6.295 -10.785 -2.053 1.00 0.00 C ATOM 7 CD LYS A 1 -7.611 -11.498 -2.320 1.00 0.00 C ATOM 8 CE LYS A 1 -8.269 -10.995 -3.595 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.273 -9.508 -3.669 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.978 -10.117 -0.163 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.562 -8.893 0.938 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.106 -8.760 -0.693 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.057 -10.612 1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -4.648 -11.321 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.153 -12.118 -0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.449 -9.707 -2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.579 -11.035 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.435 -12.571 -2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.285 -11.347 -1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.742 -11.400 -4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.294 -11.364 -3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.818 -9.203 -4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.708 -9.119 -2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.296 -9.162 -3.750 1.00 0.00 H new ATOM 25 N VAL A 2 -3.843 -9.446 1.330 1.00 0.00 N ATOM 26 CA VAL A 2 -2.674 -8.591 1.498 1.00 0.00 C ATOM 27 C VAL A 2 -1.410 -9.277 0.995 1.00 0.00 C ATOM 28 O VAL A 2 -1.056 -10.358 1.467 1.00 0.00 O ATOM 29 CB VAL A 2 -2.467 -8.198 2.979 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.171 -7.421 3.158 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.640 -7.383 3.490 1.00 0.00 C ATOM 0 H VAL A 2 -3.846 -10.277 1.922 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.860 -7.692 0.910 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.403 -9.117 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.048 -7.156 4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.330 -8.037 2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.205 -6.513 2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.472 -7.118 4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.738 -6.474 2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.555 -7.970 3.408 1.00 0.00 H new ATOM 41 N PHE A 3 -0.710 -8.637 0.059 1.00 0.00 N ATOM 42 CA PHE A 3 0.533 -9.195 -0.464 1.00 0.00 C ATOM 43 C PHE A 3 1.640 -9.055 0.570 1.00 0.00 C ATOM 44 O PHE A 3 1.421 -8.536 1.664 1.00 0.00 O ATOM 45 CB PHE A 3 0.973 -8.470 -1.739 1.00 0.00 C ATOM 46 CG PHE A 3 0.008 -8.546 -2.886 1.00 0.00 C ATOM 47 CD1 PHE A 3 -1.074 -9.413 -2.867 1.00 0.00 C ATOM 48 CD2 PHE A 3 0.194 -7.739 -3.993 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.949 -9.469 -3.934 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.674 -7.792 -5.060 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.747 -8.656 -5.034 1.00 0.00 C ATOM 0 H PHE A 3 -0.980 -7.741 -0.348 1.00 0.00 H new ATOM 0 HA PHE A 3 0.352 -10.245 -0.692 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.145 -7.421 -1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.928 -8.884 -2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.234 -10.050 -2.010 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.032 -7.058 -4.021 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.790 -10.147 -3.909 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.514 -7.156 -5.918 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.429 -8.698 -5.871 1.00 0.00 H new ATOM 61 N GLY A 4 2.834 -9.500 0.207 1.00 0.00 N ATOM 62 CA GLY A 4 3.968 -9.392 1.100 1.00 0.00 C ATOM 63 C GLY A 4 4.859 -8.229 0.713 1.00 0.00 C ATOM 64 O GLY A 4 4.388 -7.257 0.122 1.00 0.00 O ATOM 0 H GLY A 4 3.038 -9.935 -0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.617 -9.260 2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.543 -10.318 1.076 1.00 0.00 H new ATOM 68 N ARG A 5 6.142 -8.324 1.031 1.00 0.00 N ATOM 69 CA ARG A 5 7.081 -7.263 0.693 1.00 0.00 C ATOM 70 C ARG A 5 7.699 -7.502 -0.673 1.00 0.00 C ATOM 71 O ARG A 5 7.626 -6.644 -1.553 1.00 0.00 O ATOM 72 CB ARG A 5 8.175 -7.153 1.757 1.00 0.00 C ATOM 73 CG ARG A 5 7.640 -6.888 3.155 1.00 0.00 C ATOM 74 CD ARG A 5 8.579 -5.999 3.953 1.00 0.00 C ATOM 75 NE ARG A 5 7.866 -5.208 4.952 1.00 0.00 N ATOM 76 CZ ARG A 5 8.123 -5.263 6.256 1.00 0.00 C ATOM 77 NH1 ARG A 5 9.071 -6.068 6.716 1.00 0.00 N ATOM 78 NH2 ARG A 5 7.429 -4.512 7.102 1.00 0.00 N ATOM 0 H ARG A 5 6.555 -9.119 1.519 1.00 0.00 H new ATOM 0 HA ARG A 5 6.530 -6.323 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.754 -8.076 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.859 -6.351 1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.660 -6.415 3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.502 -7.834 3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.330 -6.616 4.447 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.111 -5.332 3.275 1.00 0.00 H new ATOM 0 HE ARG A 5 7.130 -4.578 4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.606 -6.648 6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.265 -6.108 7.717 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.698 -3.892 6.752 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.626 -4.555 8.102 1.00 0.00 H new ATOM 92 N CYS A 6 8.306 -8.666 -0.853 1.00 0.00 N ATOM 93 CA CYS A 6 8.928 -8.992 -2.123 1.00 0.00 C ATOM 94 C CYS A 6 7.905 -9.514 -3.117 1.00 0.00 C ATOM 95 O CYS A 6 7.983 -9.206 -4.299 1.00 0.00 O ATOM 96 CB CYS A 6 10.037 -10.015 -1.941 1.00 0.00 C ATOM 97 SG CYS A 6 11.470 -9.391 -1.008 1.00 0.00 S ATOM 0 H CYS A 6 8.380 -9.393 -0.141 1.00 0.00 H new ATOM 0 HA CYS A 6 9.360 -8.073 -2.518 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.633 -10.887 -1.427 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.373 -10.351 -2.922 1.00 0.00 H new ATOM 102 N GLU A 7 6.942 -10.298 -2.640 1.00 0.00 N ATOM 103 CA GLU A 7 5.910 -10.835 -3.520 1.00 0.00 C ATOM 104 C GLU A 7 5.400 -9.728 -4.429 1.00 0.00 C ATOM 105 O GLU A 7 5.430 -9.846 -5.658 1.00 0.00 O ATOM 106 CB GLU A 7 4.757 -11.423 -2.704 1.00 0.00 C ATOM 107 CG GLU A 7 3.881 -12.383 -3.493 1.00 0.00 C ATOM 108 CD GLU A 7 2.698 -12.886 -2.689 1.00 0.00 C ATOM 109 OE1 GLU A 7 1.910 -12.048 -2.204 1.00 0.00 O ATOM 110 OE2 GLU A 7 2.558 -14.120 -2.546 1.00 0.00 O ATOM 0 H GLU A 7 6.855 -10.573 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 7 6.338 -11.634 -4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.165 -11.944 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.139 -10.609 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.519 -11.884 -4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.481 -13.232 -3.820 1.00 0.00 H new ATOM 117 N LEU A 8 4.968 -8.636 -3.816 1.00 0.00 N ATOM 118 CA LEU A 8 4.490 -7.495 -4.570 1.00 0.00 C ATOM 119 C LEU A 8 5.631 -6.884 -5.372 1.00 0.00 C ATOM 120 O LEU A 8 5.421 -6.441 -6.496 1.00 0.00 O ATOM 121 CB LEU A 8 3.880 -6.430 -3.654 1.00 0.00 C ATOM 122 CG LEU A 8 3.684 -5.060 -4.314 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.548 -5.107 -5.324 1.00 0.00 C ATOM 124 CD2 LEU A 8 3.421 -3.986 -3.270 1.00 0.00 C ATOM 0 H LEU A 8 4.940 -8.519 -2.803 1.00 0.00 H new ATOM 0 HA LEU A 8 3.712 -7.848 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.915 -6.787 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.521 -6.310 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 8 4.604 -4.807 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.426 -4.125 -5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.778 -5.840 -6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.624 -5.390 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.286 -3.024 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.520 -4.236 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.269 -3.927 -2.587 1.00 0.00 H new ATOM 136 N ALA A 9 6.845 -6.874 -4.797 1.00 0.00 N ATOM 137 CA ALA A 9 8.001 -6.311 -5.490 1.00 0.00 C ATOM 138 C ALA A 9 8.262 -7.032 -6.804 1.00 0.00 C ATOM 139 O ALA A 9 8.337 -6.402 -7.857 1.00 0.00 O ATOM 140 CB ALA A 9 9.234 -6.352 -4.607 1.00 0.00 C ATOM 0 H ALA A 9 7.044 -7.245 -3.868 1.00 0.00 H new ATOM 0 HA ALA A 9 7.774 -5.269 -5.717 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.081 -5.927 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.052 -5.773 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.455 -7.385 -4.339 1.00 0.00 H new ATOM 146 N ALA A 10 8.384 -8.356 -6.747 1.00 0.00 N ATOM 147 CA ALA A 10 8.613 -9.143 -7.946 1.00 0.00 C ATOM 148 C ALA A 10 7.587 -8.764 -8.998 1.00 0.00 C ATOM 149 O ALA A 10 7.903 -8.650 -10.182 1.00 0.00 O ATOM 150 CB ALA A 10 8.539 -10.630 -7.633 1.00 0.00 C ATOM 0 H ALA A 10 8.328 -8.900 -5.886 1.00 0.00 H new ATOM 0 HA ALA A 10 9.612 -8.933 -8.329 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.713 -11.203 -8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.298 -10.884 -6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.552 -10.870 -7.237 1.00 0.00 H new ATOM 156 N ALA A 11 6.355 -8.548 -8.545 1.00 0.00 N ATOM 157 CA ALA A 11 5.282 -8.154 -9.444 1.00 0.00 C ATOM 158 C ALA A 11 5.565 -6.789 -10.037 1.00 0.00 C ATOM 159 O ALA A 11 5.301 -6.533 -11.211 1.00 0.00 O ATOM 160 CB ALA A 11 3.943 -8.170 -8.724 1.00 0.00 C ATOM 0 H ALA A 11 6.079 -8.639 -7.567 1.00 0.00 H new ATOM 0 HA ALA A 11 5.231 -8.875 -10.259 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.155 -7.872 -9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.741 -9.175 -8.354 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.972 -7.474 -7.886 1.00 0.00 H new ATOM 166 N MET A 12 6.115 -5.932 -9.208 1.00 0.00 N ATOM 167 CA MET A 12 6.467 -4.572 -9.620 1.00 0.00 C ATOM 168 C MET A 12 7.443 -4.615 -10.786 1.00 0.00 C ATOM 169 O MET A 12 7.229 -3.973 -11.815 1.00 0.00 O ATOM 170 CB MET A 12 7.110 -3.791 -8.472 1.00 0.00 C ATOM 171 CG MET A 12 6.411 -3.954 -7.139 1.00 0.00 C ATOM 172 SD MET A 12 4.697 -3.411 -7.187 1.00 0.00 S ATOM 173 CE MET A 12 4.928 -1.674 -7.541 1.00 0.00 C ATOM 0 H MET A 12 6.334 -6.145 -8.235 1.00 0.00 H new ATOM 0 HA MET A 12 5.546 -4.071 -9.917 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.147 -4.110 -8.367 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.127 -2.733 -8.733 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.448 -5.001 -6.839 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.947 -3.385 -6.379 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.376 -1.078 -6.814 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.988 -1.428 -7.481 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.561 -1.455 -8.544 1.00 0.00 H new ATOM 183 N LYS A 13 8.519 -5.378 -10.608 1.00 0.00 N ATOM 184 CA LYS A 13 9.541 -5.516 -11.636 1.00 0.00 C ATOM 185 C LYS A 13 8.903 -5.888 -12.963 1.00 0.00 C ATOM 186 O LYS A 13 9.192 -5.284 -13.996 1.00 0.00 O ATOM 187 CB LYS A 13 10.566 -6.578 -11.231 1.00 0.00 C ATOM 188 CG LYS A 13 11.875 -6.482 -11.998 1.00 0.00 C ATOM 189 CD LYS A 13 12.918 -7.435 -11.437 1.00 0.00 C ATOM 190 CE LYS A 13 13.954 -6.698 -10.604 1.00 0.00 C ATOM 191 NZ LYS A 13 15.063 -6.163 -11.442 1.00 0.00 N ATOM 0 H LYS A 13 8.704 -5.911 -9.758 1.00 0.00 H new ATOM 0 HA LYS A 13 10.053 -4.560 -11.746 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.771 -6.485 -10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.134 -7.567 -11.387 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.700 -6.710 -13.049 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.251 -5.460 -11.952 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.429 -8.192 -10.824 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.413 -7.958 -12.256 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.474 -5.878 -10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.361 -7.373 -9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.748 -5.668 -10.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.538 -6.948 -11.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.678 -5.499 -12.144 1.00 0.00 H new ATOM 205 N ARG A 14 8.021 -6.879 -12.922 1.00 0.00 N ATOM 206 CA ARG A 14 7.329 -7.326 -14.119 1.00 0.00 C ATOM 207 C ARG A 14 6.468 -6.200 -14.674 1.00 0.00 C ATOM 208 O ARG A 14 6.366 -6.025 -15.888 1.00 0.00 O ATOM 209 CB ARG A 14 6.461 -8.547 -13.810 1.00 0.00 C ATOM 210 CG ARG A 14 6.468 -9.594 -14.912 1.00 0.00 C ATOM 211 CD ARG A 14 5.226 -9.497 -15.781 1.00 0.00 C ATOM 212 NE ARG A 14 4.635 -10.807 -16.040 1.00 0.00 N ATOM 213 CZ ARG A 14 4.935 -11.557 -17.096 1.00 0.00 C ATOM 214 NH1 ARG A 14 5.815 -11.127 -17.990 1.00 0.00 N ATOM 215 NH2 ARG A 14 4.354 -12.738 -17.259 1.00 0.00 N ATOM 0 H ARG A 14 7.770 -7.386 -12.073 1.00 0.00 H new ATOM 0 HA ARG A 14 8.071 -7.607 -14.866 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.809 -9.004 -12.884 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.436 -8.219 -13.638 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.357 -9.467 -15.530 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.527 -10.589 -14.470 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.491 -8.858 -15.292 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.482 -9.021 -16.728 1.00 0.00 H new ATOM 0 HE ARG A 14 3.953 -11.167 -15.373 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.263 -10.219 -17.868 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.043 -11.704 -18.799 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.676 -13.072 -16.574 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.585 -13.312 -18.070 1.00 0.00 H new ATOM 229 N HIS A 15 5.821 -5.457 -13.777 1.00 0.00 N ATOM 230 CA HIS A 15 4.938 -4.373 -14.176 1.00 0.00 C ATOM 231 C HIS A 15 5.713 -3.132 -14.609 1.00 0.00 C ATOM 232 O HIS A 15 5.116 -2.172 -15.096 1.00 0.00 O ATOM 233 CB HIS A 15 4.003 -4.016 -13.021 1.00 0.00 C ATOM 234 CG HIS A 15 2.721 -4.789 -13.024 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.143 -5.293 -11.878 1.00 0.00 N ATOM 236 CD2 HIS A 15 1.902 -5.145 -14.043 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.026 -5.924 -12.189 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.856 -5.848 -13.496 1.00 0.00 N ATOM 0 H HIS A 15 5.895 -5.590 -12.768 1.00 0.00 H new ATOM 0 HA HIS A 15 4.360 -4.719 -15.033 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.521 -4.192 -12.078 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.775 -2.951 -13.066 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.520 -5.194 -10.936 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.045 -4.919 -15.089 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.364 -6.418 -11.493 1.00 0.00 H new ATOM 247 N GLY A 16 7.039 -3.160 -14.487 1.00 0.00 N ATOM 248 CA GLY A 16 7.840 -2.037 -14.932 1.00 0.00 C ATOM 249 C GLY A 16 7.905 -0.859 -13.976 1.00 0.00 C ATOM 250 O GLY A 16 8.186 0.256 -14.413 1.00 0.00 O ATOM 0 H GLY A 16 7.568 -3.937 -14.090 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.855 -2.388 -15.117 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.445 -1.687 -15.886 1.00 0.00 H new ATOM 254 N LEU A 17 7.656 -1.064 -12.681 1.00 0.00 N ATOM 255 CA LEU A 17 7.716 0.057 -11.751 1.00 0.00 C ATOM 256 C LEU A 17 9.111 0.220 -11.180 1.00 0.00 C ATOM 257 O LEU A 17 9.397 1.173 -10.461 1.00 0.00 O ATOM 258 CB LEU A 17 6.705 -0.094 -10.611 1.00 0.00 C ATOM 259 CG LEU A 17 5.333 -0.669 -10.980 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.254 -0.029 -10.123 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.006 -0.464 -12.455 1.00 0.00 C ATOM 0 H LEU A 17 7.419 -1.965 -12.266 1.00 0.00 H new ATOM 0 HA LEU A 17 7.459 0.951 -12.319 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.147 -0.733 -9.846 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.553 0.886 -10.159 1.00 0.00 H new ATOM 0 HG LEU A 17 5.367 -1.742 -10.793 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.282 -0.443 -10.392 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.457 -0.232 -9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.248 1.048 -10.290 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.025 -0.887 -12.672 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.000 0.602 -12.682 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.759 -0.961 -13.067 1.00 0.00 H new ATOM 273 N ASP A 18 9.975 -0.715 -11.510 1.00 0.00 N ATOM 274 CA ASP A 18 11.351 -0.676 -11.030 1.00 0.00 C ATOM 275 C ASP A 18 12.140 0.429 -11.730 1.00 0.00 C ATOM 276 O ASP A 18 12.679 0.239 -12.821 1.00 0.00 O ATOM 277 CB ASP A 18 12.030 -2.036 -11.216 1.00 0.00 C ATOM 278 CG ASP A 18 13.537 -1.927 -11.363 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.200 -1.509 -10.391 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.052 -2.260 -12.452 1.00 0.00 O ATOM 0 H ASP A 18 9.756 -1.512 -12.107 1.00 0.00 H new ATOM 0 HA ASP A 18 11.332 -0.451 -9.964 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.798 -2.672 -10.362 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.618 -2.525 -12.099 1.00 0.00 H new ATOM 285 N ASN A 19 12.188 1.586 -11.078 1.00 0.00 N ATOM 286 CA ASN A 19 12.896 2.757 -11.590 1.00 0.00 C ATOM 287 C ASN A 19 12.229 3.302 -12.834 1.00 0.00 C ATOM 288 O ASN A 19 12.887 3.836 -13.727 1.00 0.00 O ATOM 289 CB ASN A 19 14.365 2.433 -11.866 1.00 0.00 C ATOM 290 CG ASN A 19 15.269 3.636 -11.677 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.265 4.271 -10.622 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.051 3.955 -12.702 1.00 0.00 N ATOM 0 H ASN A 19 11.736 1.740 -10.177 1.00 0.00 H new ATOM 0 HA ASN A 19 12.855 3.528 -10.820 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.688 1.631 -11.202 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.467 2.062 -12.886 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.681 4.754 -12.633 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.022 3.401 -13.558 1.00 0.00 H new ATOM 299 N TYR A 20 10.915 3.198 -12.863 1.00 0.00 N ATOM 300 CA TYR A 20 10.149 3.717 -13.976 1.00 0.00 C ATOM 301 C TYR A 20 10.238 5.228 -13.921 1.00 0.00 C ATOM 302 O TYR A 20 10.709 5.759 -12.917 1.00 0.00 O ATOM 303 CB TYR A 20 8.689 3.259 -13.885 1.00 0.00 C ATOM 304 CG TYR A 20 7.821 3.733 -15.029 1.00 0.00 C ATOM 305 CD1 TYR A 20 7.972 3.207 -16.306 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.851 4.707 -14.831 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.178 3.638 -17.353 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.055 5.143 -15.872 1.00 0.00 C ATOM 309 CZ TYR A 20 6.222 4.606 -17.131 1.00 0.00 C ATOM 310 OH TYR A 20 5.431 5.038 -18.171 1.00 0.00 O ATOM 0 H TYR A 20 10.358 2.760 -12.130 1.00 0.00 H new ATOM 0 HA TYR A 20 10.547 3.345 -14.920 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.663 2.170 -13.850 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.264 3.618 -12.948 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.721 2.450 -16.484 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.717 5.131 -13.847 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.306 3.218 -18.340 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.305 5.901 -15.701 1.00 0.00 H new ATOM 0 HH TYR A 20 4.808 5.721 -17.846 1.00 0.00 H new ATOM 320 N ARG A 21 9.830 5.912 -14.991 1.00 0.00 N ATOM 321 CA ARG A 21 9.891 7.372 -15.040 1.00 0.00 C ATOM 322 C ARG A 21 9.853 7.957 -13.631 1.00 0.00 C ATOM 323 O ARG A 21 10.531 8.940 -13.331 1.00 0.00 O ATOM 324 CB ARG A 21 8.731 7.926 -15.869 1.00 0.00 C ATOM 325 CG ARG A 21 9.098 9.155 -16.684 1.00 0.00 C ATOM 326 CD ARG A 21 8.011 9.502 -17.688 1.00 0.00 C ATOM 327 NE ARG A 21 7.830 8.449 -18.684 1.00 0.00 N ATOM 328 CZ ARG A 21 7.859 8.662 -19.996 1.00 0.00 C ATOM 329 NH1 ARG A 21 8.062 9.885 -20.469 1.00 0.00 N ATOM 330 NH2 ARG A 21 7.685 7.652 -20.837 1.00 0.00 N ATOM 0 H ARG A 21 9.454 5.478 -15.834 1.00 0.00 H new ATOM 0 HA ARG A 21 10.830 7.660 -15.512 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.372 7.148 -16.542 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.906 8.176 -15.202 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.261 10.001 -16.016 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.037 8.978 -17.209 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.071 9.669 -17.162 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.265 10.436 -18.190 1.00 0.00 H new ATOM 0 HE ARG A 21 7.672 7.497 -18.354 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.196 10.665 -19.825 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.084 10.045 -21.476 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.529 6.710 -20.478 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.707 7.817 -21.843 1.00 0.00 H new ATOM 344 N GLY A 22 9.058 7.324 -12.773 1.00 0.00 N ATOM 345 CA GLY A 22 8.934 7.760 -11.400 1.00 0.00 C ATOM 346 C GLY A 22 10.081 7.280 -10.530 1.00 0.00 C ATOM 347 O GLY A 22 11.139 7.909 -10.491 1.00 0.00 O ATOM 0 H GLY A 22 8.493 6.509 -13.011 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.892 8.849 -11.371 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.993 7.393 -10.990 1.00 0.00 H new ATOM 351 N TYR A 23 9.864 6.185 -9.800 1.00 0.00 N ATOM 352 CA TYR A 23 10.895 5.674 -8.902 1.00 0.00 C ATOM 353 C TYR A 23 11.157 4.181 -9.044 1.00 0.00 C ATOM 354 O TYR A 23 10.545 3.492 -9.860 1.00 0.00 O ATOM 355 CB TYR A 23 10.533 5.997 -7.457 1.00 0.00 C ATOM 356 CG TYR A 23 10.726 7.453 -7.097 1.00 0.00 C ATOM 357 CD1 TYR A 23 9.806 8.414 -7.500 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.823 7.868 -6.354 1.00 0.00 C ATOM 359 CE1 TYR A 23 9.976 9.746 -7.176 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.001 9.199 -6.026 1.00 0.00 C ATOM 361 CZ TYR A 23 11.074 10.132 -6.439 1.00 0.00 C ATOM 362 OH TYR A 23 11.248 11.458 -6.114 1.00 0.00 O ATOM 0 H TYR A 23 8.999 5.645 -9.813 1.00 0.00 H new ATOM 0 HA TYR A 23 11.819 6.175 -9.189 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.493 5.722 -7.281 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.141 5.383 -6.793 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.943 8.114 -8.076 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.549 7.139 -6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.253 10.480 -7.498 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.861 9.506 -5.450 1.00 0.00 H new ATOM 0 HH TYR A 23 12.070 11.561 -5.591 1.00 0.00 H new ATOM 372 N SER A 24 12.105 3.706 -8.230 1.00 0.00 N ATOM 373 CA SER A 24 12.517 2.309 -8.230 1.00 0.00 C ATOM 374 C SER A 24 11.625 1.445 -7.349 1.00 0.00 C ATOM 375 O SER A 24 10.800 1.945 -6.586 1.00 0.00 O ATOM 376 CB SER A 24 13.970 2.191 -7.766 1.00 0.00 C ATOM 377 OG SER A 24 14.084 2.439 -6.376 1.00 0.00 O ATOM 0 H SER A 24 12.605 4.284 -7.554 1.00 0.00 H new ATOM 0 HA SER A 24 12.423 1.944 -9.253 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.347 1.194 -7.993 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.589 2.899 -8.317 1.00 0.00 H new ATOM 0 HG SER A 24 13.396 3.080 -6.101 1.00 0.00 H new ATOM 383 N LEU A 25 11.815 0.137 -7.481 1.00 0.00 N ATOM 384 CA LEU A 25 11.061 -0.857 -6.730 1.00 0.00 C ATOM 385 C LEU A 25 10.902 -0.481 -5.257 1.00 0.00 C ATOM 386 O LEU A 25 9.782 -0.365 -4.761 1.00 0.00 O ATOM 387 CB LEU A 25 11.766 -2.206 -6.848 1.00 0.00 C ATOM 388 CG LEU A 25 11.130 -3.174 -7.834 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.186 -4.071 -8.457 1.00 0.00 C ATOM 390 CD2 LEU A 25 10.063 -4.001 -7.138 1.00 0.00 C ATOM 0 H LEU A 25 12.503 -0.265 -8.118 1.00 0.00 H new ATOM 0 HA LEU A 25 10.058 -0.908 -7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.801 -2.035 -7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.790 -2.675 -5.864 1.00 0.00 H new ATOM 0 HG LEU A 25 10.659 -2.602 -8.633 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.712 -4.757 -9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.918 -3.459 -8.984 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.686 -4.642 -7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.614 -4.691 -7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.515 -4.566 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.294 -3.340 -6.739 1.00 0.00 H new ATOM 402 N GLY A 26 12.024 -0.321 -4.560 1.00 0.00 N ATOM 403 CA GLY A 26 11.991 0.014 -3.144 1.00 0.00 C ATOM 404 C GLY A 26 10.968 1.081 -2.791 1.00 0.00 C ATOM 405 O GLY A 26 10.330 1.009 -1.741 1.00 0.00 O ATOM 0 H GLY A 26 12.961 -0.418 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.774 -0.888 -2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.980 0.356 -2.838 1.00 0.00 H new ATOM 409 N ASN A 27 10.819 2.076 -3.659 1.00 0.00 N ATOM 410 CA ASN A 27 9.873 3.162 -3.416 1.00 0.00 C ATOM 411 C ASN A 27 8.429 2.670 -3.482 1.00 0.00 C ATOM 412 O ASN A 27 7.562 3.166 -2.763 1.00 0.00 O ATOM 413 CB ASN A 27 10.090 4.289 -4.424 1.00 0.00 C ATOM 414 CG ASN A 27 11.555 4.643 -4.587 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.230 4.143 -5.487 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.056 5.509 -3.715 1.00 0.00 N ATOM 0 H ASN A 27 11.338 2.154 -4.534 1.00 0.00 H new ATOM 0 HA ASN A 27 10.053 3.541 -2.410 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.681 3.993 -5.390 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.539 5.172 -4.102 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.036 5.784 -3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.461 5.899 -2.984 1.00 0.00 H new ATOM 423 N TRP A 28 8.178 1.687 -4.341 1.00 0.00 N ATOM 424 CA TRP A 28 6.842 1.121 -4.493 1.00 0.00 C ATOM 425 C TRP A 28 6.471 0.252 -3.306 1.00 0.00 C ATOM 426 O TRP A 28 5.334 0.285 -2.836 1.00 0.00 O ATOM 427 CB TRP A 28 6.759 0.314 -5.778 1.00 0.00 C ATOM 428 CG TRP A 28 6.969 1.173 -6.970 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.124 1.325 -7.665 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.004 2.023 -7.591 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.952 2.239 -8.669 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.649 2.675 -8.654 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.655 2.294 -7.347 1.00 0.00 C ATOM 434 CZ2 TRP A 28 5.994 3.587 -9.477 1.00 0.00 C ATOM 435 CZ3 TRP A 28 3.999 3.194 -8.162 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.668 3.833 -9.218 1.00 0.00 C ATOM 0 H TRP A 28 8.884 1.265 -4.944 1.00 0.00 H new ATOM 0 HA TRP A 28 6.131 1.946 -4.540 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.508 -0.478 -5.761 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.785 -0.170 -5.843 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.045 0.801 -7.456 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.673 2.546 -9.322 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.135 1.808 -6.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.509 4.082 -10.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.956 3.410 -7.985 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.129 4.532 -9.839 1.00 0.00 H new ATOM 447 N VAL A 29 7.429 -0.525 -2.818 1.00 0.00 N ATOM 448 CA VAL A 29 7.190 -1.397 -1.682 1.00 0.00 C ATOM 449 C VAL A 29 6.972 -0.587 -0.418 1.00 0.00 C ATOM 450 O VAL A 29 6.015 -0.811 0.316 1.00 0.00 O ATOM 451 CB VAL A 29 8.373 -2.362 -1.473 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.119 -3.292 -0.296 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.643 -3.152 -2.745 1.00 0.00 C ATOM 0 H VAL A 29 8.377 -0.567 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 29 6.291 -1.976 -1.894 1.00 0.00 H new ATOM 0 HB VAL A 29 9.259 -1.772 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.970 -3.962 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.985 -2.703 0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.220 -3.879 -0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.481 -3.829 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.757 -3.729 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.884 -2.465 -3.556 1.00 0.00 H new ATOM 463 N CYS A 30 7.869 0.350 -0.171 1.00 0.00 N ATOM 464 CA CYS A 30 7.785 1.200 1.005 1.00 0.00 C ATOM 465 C CYS A 30 6.470 1.981 1.028 1.00 0.00 C ATOM 466 O CYS A 30 5.779 2.022 2.050 1.00 0.00 O ATOM 467 CB CYS A 30 8.969 2.164 1.020 1.00 0.00 C ATOM 468 SG CYS A 30 9.333 2.880 2.650 1.00 0.00 S ATOM 0 H CYS A 30 8.670 0.543 -0.773 1.00 0.00 H new ATOM 0 HA CYS A 30 7.815 0.569 1.893 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.854 1.639 0.661 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.772 2.973 0.317 1.00 0.00 H new ATOM 473 N ALA A 31 6.135 2.604 -0.101 1.00 0.00 N ATOM 474 CA ALA A 31 4.911 3.391 -0.207 1.00 0.00 C ATOM 475 C ALA A 31 3.667 2.528 -0.030 1.00 0.00 C ATOM 476 O ALA A 31 2.747 2.900 0.695 1.00 0.00 O ATOM 477 CB ALA A 31 4.866 4.110 -1.546 1.00 0.00 C ATOM 0 H ALA A 31 6.695 2.578 -0.953 1.00 0.00 H new ATOM 0 HA ALA A 31 4.919 4.127 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.948 4.694 -1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.726 4.774 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.891 3.378 -2.353 1.00 0.00 H new ATOM 483 N ALA A 32 3.644 1.381 -0.698 1.00 0.00 N ATOM 484 CA ALA A 32 2.504 0.472 -0.619 1.00 0.00 C ATOM 485 C ALA A 32 2.387 -0.162 0.764 1.00 0.00 C ATOM 486 O ALA A 32 1.299 -0.223 1.336 1.00 0.00 O ATOM 487 CB ALA A 32 2.617 -0.607 -1.685 1.00 0.00 C ATOM 0 H ALA A 32 4.401 1.057 -1.300 1.00 0.00 H new ATOM 0 HA ALA A 32 1.600 1.055 -0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.761 -1.278 -1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.635 -0.143 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.536 -1.174 -1.533 1.00 0.00 H new ATOM 493 N LYS A 33 3.510 -0.645 1.286 1.00 0.00 N ATOM 494 CA LYS A 33 3.542 -1.291 2.594 1.00 0.00 C ATOM 495 C LYS A 33 2.824 -0.465 3.649 1.00 0.00 C ATOM 496 O LYS A 33 1.913 -0.949 4.312 1.00 0.00 O ATOM 497 CB LYS A 33 4.989 -1.524 3.032 1.00 0.00 C ATOM 498 CG LYS A 33 5.116 -2.234 4.370 1.00 0.00 C ATOM 499 CD LYS A 33 5.784 -1.350 5.410 1.00 0.00 C ATOM 500 CE LYS A 33 4.938 -1.229 6.666 1.00 0.00 C ATOM 501 NZ LYS A 33 5.749 -1.401 7.903 1.00 0.00 N ATOM 0 H LYS A 33 4.416 -0.601 0.819 1.00 0.00 H new ATOM 0 HA LYS A 33 3.025 -2.246 2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.500 -2.111 2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.501 -0.563 3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.127 -2.528 4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.694 -3.149 4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.760 -1.762 5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.957 -0.359 4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.452 -0.253 6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.147 -1.978 6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.171 -1.858 8.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.577 -1.995 7.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.067 -0.471 8.242 1.00 0.00 H new ATOM 515 N PHE A 34 3.254 0.776 3.820 1.00 0.00 N ATOM 516 CA PHE A 34 2.649 1.641 4.821 1.00 0.00 C ATOM 517 C PHE A 34 1.304 2.187 4.375 1.00 0.00 C ATOM 518 O PHE A 34 0.506 2.634 5.200 1.00 0.00 O ATOM 519 CB PHE A 34 3.588 2.774 5.182 1.00 0.00 C ATOM 520 CG PHE A 34 4.493 2.464 6.341 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.989 2.390 7.629 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.846 2.245 6.140 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.819 2.104 8.698 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.681 1.959 7.204 1.00 0.00 C ATOM 525 CZ PHE A 34 6.167 1.888 8.484 1.00 0.00 C ATOM 0 H PHE A 34 4.011 1.203 3.286 1.00 0.00 H new ATOM 0 HA PHE A 34 2.471 1.031 5.706 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.198 3.020 4.312 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.999 3.660 5.419 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.936 2.558 7.801 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.253 2.298 5.141 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.414 2.050 9.698 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.734 1.791 7.034 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.818 1.664 9.316 1.00 0.00 H new ATOM 535 N GLU A 35 1.052 2.159 3.078 1.00 0.00 N ATOM 536 CA GLU A 35 -0.198 2.661 2.533 1.00 0.00 C ATOM 537 C GLU A 35 -1.391 1.817 2.968 1.00 0.00 C ATOM 538 O GLU A 35 -2.370 2.334 3.504 1.00 0.00 O ATOM 539 CB GLU A 35 -0.115 2.668 1.009 1.00 0.00 C ATOM 540 CG GLU A 35 -0.156 4.059 0.401 1.00 0.00 C ATOM 541 CD GLU A 35 0.394 4.089 -1.010 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.348 3.720 -1.943 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.568 4.480 -1.182 1.00 0.00 O ATOM 0 H GLU A 35 1.699 1.792 2.380 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.347 3.671 2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.807 2.174 0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.940 2.081 0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.185 4.420 0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.418 4.743 1.026 1.00 0.00 H new ATOM 550 N SER A 36 -1.319 0.525 2.682 1.00 0.00 N ATOM 551 CA SER A 36 -2.416 -0.390 2.990 1.00 0.00 C ATOM 552 C SER A 36 -1.931 -1.646 3.702 1.00 0.00 C ATOM 553 O SER A 36 -2.658 -2.636 3.776 1.00 0.00 O ATOM 554 CB SER A 36 -3.113 -0.791 1.685 1.00 0.00 C ATOM 555 OG SER A 36 -2.173 -1.266 0.740 1.00 0.00 O ATOM 0 H SER A 36 -0.514 0.084 2.237 1.00 0.00 H new ATOM 0 HA SER A 36 -3.106 0.127 3.658 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.855 -1.563 1.886 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.647 0.066 1.274 1.00 0.00 H new ATOM 0 HG SER A 36 -1.896 -0.530 0.156 1.00 0.00 H new ATOM 561 N ASN A 37 -0.701 -1.621 4.197 1.00 0.00 N ATOM 562 CA ASN A 37 -0.142 -2.790 4.863 1.00 0.00 C ATOM 563 C ASN A 37 -0.132 -3.950 3.878 1.00 0.00 C ATOM 564 O ASN A 37 -0.192 -5.114 4.261 1.00 0.00 O ATOM 565 CB ASN A 37 -0.955 -3.152 6.109 1.00 0.00 C ATOM 566 CG ASN A 37 -0.103 -3.204 7.361 1.00 0.00 C ATOM 567 OD1 ASN A 37 0.295 -2.170 7.899 1.00 0.00 O ATOM 568 ND2 ASN A 37 0.182 -4.411 7.833 1.00 0.00 N ATOM 0 H ASN A 37 -0.078 -0.815 4.151 1.00 0.00 H new ATOM 0 HA ASN A 37 0.875 -2.570 5.188 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.751 -2.420 6.245 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.434 -4.120 5.958 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.752 -4.509 8.673 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.169 -5.241 7.355 1.00 0.00 H new ATOM 575 N PHE A 38 -0.049 -3.583 2.598 1.00 0.00 N ATOM 576 CA PHE A 38 -0.021 -4.510 1.478 1.00 0.00 C ATOM 577 C PHE A 38 -1.394 -5.106 1.217 1.00 0.00 C ATOM 578 O PHE A 38 -1.514 -6.157 0.596 1.00 0.00 O ATOM 579 CB PHE A 38 1.037 -5.595 1.682 1.00 0.00 C ATOM 580 CG PHE A 38 2.429 -5.089 1.439 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.720 -4.355 0.299 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.443 -5.332 2.351 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.993 -3.876 0.071 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.719 -4.854 2.127 1.00 0.00 C ATOM 585 CZ PHE A 38 4.994 -4.125 0.986 1.00 0.00 C ATOM 0 H PHE A 38 0.002 -2.606 2.310 1.00 0.00 H new ATOM 0 HA PHE A 38 0.260 -3.946 0.589 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.966 -5.981 2.699 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.834 -6.428 1.009 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.939 -4.156 -0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.234 -5.900 3.245 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.205 -3.307 -0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.502 -5.050 2.844 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.992 -3.751 0.811 1.00 0.00 H new ATOM 595 N ASN A 39 -2.433 -4.404 1.659 1.00 0.00 N ATOM 596 CA ASN A 39 -3.801 -4.850 1.441 1.00 0.00 C ATOM 597 C ASN A 39 -4.315 -4.301 0.121 1.00 0.00 C ATOM 598 O ASN A 39 -4.546 -3.100 -0.019 1.00 0.00 O ATOM 599 CB ASN A 39 -4.704 -4.401 2.589 1.00 0.00 C ATOM 600 CG ASN A 39 -5.978 -5.219 2.678 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.402 -5.838 1.701 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.596 -5.226 3.853 1.00 0.00 N ATOM 0 H ASN A 39 -2.352 -3.525 2.170 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.813 -5.939 1.405 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.158 -4.481 3.529 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.959 -3.350 2.457 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.458 -5.759 3.973 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.209 -4.699 4.636 1.00 0.00 H new ATOM 609 N THR A 40 -4.460 -5.185 -0.852 1.00 0.00 N ATOM 610 CA THR A 40 -4.911 -4.800 -2.176 1.00 0.00 C ATOM 611 C THR A 40 -6.415 -4.595 -2.190 1.00 0.00 C ATOM 612 O THR A 40 -6.979 -4.073 -3.152 1.00 0.00 O ATOM 613 CB THR A 40 -4.528 -5.873 -3.213 1.00 0.00 C ATOM 614 OG1 THR A 40 -5.589 -6.827 -3.349 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.255 -6.592 -2.794 1.00 0.00 C ATOM 0 H THR A 40 -4.270 -6.182 -0.747 1.00 0.00 H new ATOM 0 HA THR A 40 -4.422 -3.862 -2.437 1.00 0.00 H new ATOM 0 HB THR A 40 -4.358 -5.378 -4.169 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.337 -7.504 -4.011 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.001 -7.346 -3.539 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.440 -5.872 -2.714 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.410 -7.074 -1.829 1.00 0.00 H new ATOM 623 N GLN A 41 -7.055 -5.033 -1.118 1.00 0.00 N ATOM 624 CA GLN A 41 -8.497 -4.933 -0.987 1.00 0.00 C ATOM 625 C GLN A 41 -8.913 -3.949 0.108 1.00 0.00 C ATOM 626 O GLN A 41 -10.100 -3.804 0.398 1.00 0.00 O ATOM 627 CB GLN A 41 -9.060 -6.319 -0.685 1.00 0.00 C ATOM 628 CG GLN A 41 -9.462 -7.101 -1.925 1.00 0.00 C ATOM 629 CD GLN A 41 -10.654 -8.006 -1.683 1.00 0.00 C ATOM 630 OE1 GLN A 41 -10.578 -9.218 -1.883 1.00 0.00 O ATOM 631 NE2 GLN A 41 -11.762 -7.419 -1.248 1.00 0.00 N ATOM 0 H GLN A 41 -6.591 -5.465 -0.319 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.899 -4.552 -1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.315 -6.891 -0.132 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.929 -6.214 -0.035 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.697 -6.404 -2.729 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.617 -7.702 -2.261 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.779 -6.411 -1.096 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.597 -7.976 -1.065 1.00 0.00 H new ATOM 640 N ALA A 42 -7.938 -3.287 0.724 1.00 0.00 N ATOM 641 CA ALA A 42 -8.222 -2.336 1.794 1.00 0.00 C ATOM 642 C ALA A 42 -8.695 -0.990 1.260 1.00 0.00 C ATOM 643 O ALA A 42 -8.319 -0.564 0.165 1.00 0.00 O ATOM 644 CB ALA A 42 -6.997 -2.139 2.671 1.00 0.00 C ATOM 0 H ALA A 42 -6.948 -3.391 0.502 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.032 -2.760 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.227 -1.427 3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.709 -3.093 3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.175 -1.756 2.067 1.00 0.00 H new ATOM 650 N THR A 43 -9.515 -0.327 2.064 1.00 0.00 N ATOM 651 CA THR A 43 -10.056 0.984 1.725 1.00 0.00 C ATOM 652 C THR A 43 -9.718 1.992 2.821 1.00 0.00 C ATOM 653 O THR A 43 -9.822 1.680 4.007 1.00 0.00 O ATOM 654 CB THR A 43 -11.587 0.931 1.550 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.234 1.195 2.801 1.00 0.00 O ATOM 656 CG2 THR A 43 -12.027 -0.429 1.028 1.00 0.00 C ATOM 0 H THR A 43 -9.824 -0.682 2.969 1.00 0.00 H new ATOM 0 HA THR A 43 -9.605 1.292 0.782 1.00 0.00 H new ATOM 0 HB THR A 43 -11.872 1.693 0.824 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.206 1.161 2.680 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.111 -0.441 0.913 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.557 -0.617 0.063 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.728 -1.204 1.734 1.00 0.00 H new ATOM 664 N ASN A 44 -9.307 3.197 2.431 1.00 0.00 N ATOM 665 CA ASN A 44 -8.954 4.229 3.405 1.00 0.00 C ATOM 666 C ASN A 44 -9.573 5.574 3.034 1.00 0.00 C ATOM 667 O ASN A 44 -9.058 6.292 2.178 1.00 0.00 O ATOM 668 CB ASN A 44 -7.433 4.366 3.503 1.00 0.00 C ATOM 669 CG ASN A 44 -7.001 5.135 4.735 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.829 6.353 4.693 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.822 4.424 5.843 1.00 0.00 N ATOM 0 H ASN A 44 -9.211 3.482 1.456 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.352 3.925 4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.982 3.374 3.520 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.058 4.871 2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.531 4.886 6.704 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.976 3.416 5.832 1.00 0.00 H new ATOM 678 N ARG A 45 -10.686 5.906 3.683 1.00 0.00 N ATOM 679 CA ARG A 45 -11.383 7.162 3.421 1.00 0.00 C ATOM 680 C ARG A 45 -10.569 8.360 3.902 1.00 0.00 C ATOM 681 O ARG A 45 -10.198 8.442 5.074 1.00 0.00 O ATOM 682 CB ARG A 45 -12.754 7.159 4.102 1.00 0.00 C ATOM 683 CG ARG A 45 -12.717 6.689 5.546 1.00 0.00 C ATOM 684 CD ARG A 45 -14.116 6.524 6.115 1.00 0.00 C ATOM 685 NE ARG A 45 -14.220 7.048 7.474 1.00 0.00 N ATOM 686 CZ ARG A 45 -15.375 7.256 8.099 1.00 0.00 C ATOM 687 NH1 ARG A 45 -16.521 6.987 7.488 1.00 0.00 N ATOM 688 NH2 ARG A 45 -15.385 7.735 9.336 1.00 0.00 N ATOM 0 H ARG A 45 -11.125 5.322 4.395 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.515 7.251 2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.169 8.166 4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.429 6.516 3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.184 5.740 5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.160 7.406 6.149 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -14.831 7.038 5.473 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -14.386 5.468 6.112 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.357 7.267 7.972 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.518 6.620 6.536 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.406 7.147 7.970 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.506 7.944 9.809 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -16.272 7.894 9.814 1.00 0.00 H new ATOM 702 N ASN A 46 -10.296 9.288 2.988 1.00 0.00 N ATOM 703 CA ASN A 46 -9.530 10.487 3.314 1.00 0.00 C ATOM 704 C ASN A 46 -10.450 11.617 3.759 1.00 0.00 C ATOM 705 O ASN A 46 -11.671 11.463 3.788 1.00 0.00 O ATOM 706 CB ASN A 46 -8.704 10.932 2.106 1.00 0.00 C ATOM 707 CG ASN A 46 -8.076 9.764 1.372 1.00 0.00 C ATOM 708 OD1 ASN A 46 -8.251 9.730 0.056 1.00 0.00 O flip ATOM 709 ND2 ASN A 46 -7.441 8.902 1.979 1.00 0.00 N flip ATOM 0 H ASN A 46 -10.595 9.232 2.014 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.858 10.246 4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.341 11.489 1.419 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.920 11.613 2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.331 8.967 2.991 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.025 8.122 1.470 1.00 0.00 H new ATOM 716 N THR A 47 -9.852 12.748 4.109 1.00 0.00 N ATOM 717 CA THR A 47 -10.611 13.909 4.561 1.00 0.00 C ATOM 718 C THR A 47 -10.873 14.890 3.422 1.00 0.00 C ATOM 719 O THR A 47 -11.394 15.984 3.643 1.00 0.00 O ATOM 720 CB THR A 47 -9.881 14.648 5.698 1.00 0.00 C ATOM 721 OG1 THR A 47 -8.559 15.008 5.279 1.00 0.00 O ATOM 722 CG2 THR A 47 -9.804 13.780 6.945 1.00 0.00 C ATOM 0 H THR A 47 -8.842 12.887 4.089 1.00 0.00 H new ATOM 0 HA THR A 47 -11.564 13.530 4.930 1.00 0.00 H new ATOM 0 HB THR A 47 -10.445 15.550 5.936 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.102 15.479 6.007 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.284 14.323 7.735 1.00 0.00 H new ATOM 0 HG22 THR A 47 -10.812 13.531 7.278 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.261 12.863 6.717 1.00 0.00 H new ATOM 730 N ASP A 48 -10.512 14.498 2.203 1.00 0.00 N ATOM 731 CA ASP A 48 -10.715 15.352 1.036 1.00 0.00 C ATOM 732 C ASP A 48 -11.987 14.962 0.288 1.00 0.00 C ATOM 733 O ASP A 48 -12.358 15.597 -0.699 1.00 0.00 O ATOM 734 CB ASP A 48 -9.510 15.271 0.100 1.00 0.00 C ATOM 735 CG ASP A 48 -9.481 13.984 -0.702 1.00 0.00 C ATOM 736 OD1 ASP A 48 -8.998 12.963 -0.169 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.941 13.999 -1.863 1.00 0.00 O ATOM 0 H ASP A 48 -10.079 13.598 1.998 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.823 16.379 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.527 16.120 -0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.594 15.351 0.685 1.00 0.00 H new ATOM 742 N GLY A 49 -12.647 13.914 0.767 1.00 0.00 N ATOM 743 CA GLY A 49 -13.870 13.452 0.137 1.00 0.00 C ATOM 744 C GLY A 49 -13.630 12.297 -0.814 1.00 0.00 C ATOM 745 O GLY A 49 -14.023 12.349 -1.980 1.00 0.00 O ATOM 0 H GLY A 49 -12.356 13.375 1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.578 13.144 0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.329 14.277 -0.407 1.00 0.00 H new ATOM 749 N SER A 50 -12.985 11.249 -0.311 1.00 0.00 N ATOM 750 CA SER A 50 -12.692 10.072 -1.120 1.00 0.00 C ATOM 751 C SER A 50 -12.191 8.919 -0.259 1.00 0.00 C ATOM 752 O SER A 50 -12.263 8.965 0.969 1.00 0.00 O ATOM 753 CB SER A 50 -11.655 10.406 -2.193 1.00 0.00 C ATOM 754 OG SER A 50 -10.784 11.435 -1.759 1.00 0.00 O ATOM 0 H SER A 50 -12.656 11.191 0.653 1.00 0.00 H new ATOM 0 HA SER A 50 -13.620 9.762 -1.601 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.077 9.514 -2.434 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.161 10.715 -3.108 1.00 0.00 H new ATOM 0 HG SER A 50 -11.078 12.292 -2.132 1.00 0.00 H new ATOM 760 N THR A 51 -11.690 7.881 -0.920 1.00 0.00 N ATOM 761 CA THR A 51 -11.180 6.705 -0.229 1.00 0.00 C ATOM 762 C THR A 51 -10.038 6.060 -1.007 1.00 0.00 C ATOM 763 O THR A 51 -9.845 6.337 -2.190 1.00 0.00 O ATOM 764 CB THR A 51 -12.295 5.665 -0.012 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.511 6.322 0.365 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.908 4.658 1.060 1.00 0.00 C ATOM 0 H THR A 51 -11.627 7.831 -1.937 1.00 0.00 H new ATOM 0 HA THR A 51 -10.807 7.039 0.739 1.00 0.00 H new ATOM 0 HB THR A 51 -12.442 5.130 -0.950 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.275 5.837 -0.012 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.715 3.937 1.190 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.000 4.136 0.758 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.731 5.178 2.001 1.00 0.00 H new ATOM 774 N ASP A 52 -9.286 5.197 -0.333 1.00 0.00 N ATOM 775 CA ASP A 52 -8.161 4.504 -0.951 1.00 0.00 C ATOM 776 C ASP A 52 -8.470 3.026 -1.109 1.00 0.00 C ATOM 777 O ASP A 52 -8.191 2.226 -0.217 1.00 0.00 O ATOM 778 CB ASP A 52 -6.901 4.690 -0.106 1.00 0.00 C ATOM 779 CG ASP A 52 -6.463 6.139 -0.032 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.429 6.804 -1.089 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.154 6.610 1.083 1.00 0.00 O ATOM 0 H ASP A 52 -9.436 4.959 0.647 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.991 4.931 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.084 4.317 0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.093 4.090 -0.526 1.00 0.00 H new ATOM 786 N TYR A 53 -9.052 2.668 -2.247 1.00 0.00 N ATOM 787 CA TYR A 53 -9.402 1.282 -2.510 1.00 0.00 C ATOM 788 C TYR A 53 -8.297 0.558 -3.267 1.00 0.00 C ATOM 789 O TYR A 53 -8.396 0.364 -4.475 1.00 0.00 O ATOM 790 CB TYR A 53 -10.697 1.190 -3.320 1.00 0.00 C ATOM 791 CG TYR A 53 -11.859 1.975 -2.755 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.602 1.483 -1.690 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.224 3.200 -3.299 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.673 2.190 -1.181 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.296 3.913 -2.797 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.018 3.403 -1.738 1.00 0.00 C ATOM 797 OH TYR A 53 -15.086 4.110 -1.235 1.00 0.00 O ATOM 0 H TYR A 53 -9.290 3.316 -2.998 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.540 0.803 -1.541 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.500 1.540 -4.333 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.988 0.142 -3.395 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.338 0.532 -1.253 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.661 3.602 -4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.238 1.795 -0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.567 4.864 -3.231 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.193 4.943 -1.739 1.00 0.00 H new ATOM 807 N GLY A 54 -7.229 0.176 -2.582 1.00 0.00 N ATOM 808 CA GLY A 54 -6.154 -0.517 -3.268 1.00 0.00 C ATOM 809 C GLY A 54 -4.891 -0.610 -2.441 1.00 0.00 C ATOM 810 O GLY A 54 -4.712 0.145 -1.486 1.00 0.00 O ATOM 0 H GLY A 54 -7.087 0.328 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.485 -1.522 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.933 -0.000 -4.202 1.00 0.00 H new ATOM 814 N ILE A 55 -3.997 -1.519 -2.826 1.00 0.00 N ATOM 815 CA ILE A 55 -2.732 -1.670 -2.126 1.00 0.00 C ATOM 816 C ILE A 55 -1.915 -0.403 -2.328 1.00 0.00 C ATOM 817 O ILE A 55 -1.076 -0.039 -1.503 1.00 0.00 O ATOM 818 CB ILE A 55 -1.930 -2.888 -2.639 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.730 -3.156 -1.729 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.473 -2.654 -4.071 1.00 0.00 C ATOM 821 CD1 ILE A 55 -0.066 -4.492 -1.984 1.00 0.00 C ATOM 0 H ILE A 55 -4.127 -2.155 -3.613 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.939 -1.836 -1.069 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.577 -3.765 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.004 -2.362 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.055 -3.113 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.910 -3.520 -4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.343 -2.506 -4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.839 -1.768 -4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.777 -4.615 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.786 -5.294 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.290 -4.531 -3.013 1.00 0.00 H new ATOM 833 N LEU A 56 -2.210 0.279 -3.432 1.00 0.00 N ATOM 834 CA LEU A 56 -1.558 1.533 -3.771 1.00 0.00 C ATOM 835 C LEU A 56 -2.546 2.677 -3.570 1.00 0.00 C ATOM 836 O LEU A 56 -2.265 3.823 -3.925 1.00 0.00 O ATOM 837 CB LEU A 56 -1.052 1.517 -5.221 1.00 0.00 C ATOM 838 CG LEU A 56 0.458 1.745 -5.398 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.936 2.905 -4.537 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.227 0.476 -5.059 1.00 0.00 C ATOM 0 H LEU A 56 -2.906 -0.024 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.695 1.671 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.311 0.557 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.586 2.284 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 56 0.646 1.999 -6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.007 3.047 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.408 3.814 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.735 2.686 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.295 0.652 -5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.029 0.196 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.909 -0.330 -5.721 1.00 0.00 H new ATOM 852 N GLN A 57 -3.706 2.346 -2.990 1.00 0.00 N ATOM 853 CA GLN A 57 -4.760 3.321 -2.715 1.00 0.00 C ATOM 854 C GLN A 57 -5.458 3.780 -3.991 1.00 0.00 C ATOM 855 O GLN A 57 -5.224 4.894 -4.460 1.00 0.00 O ATOM 856 CB GLN A 57 -4.184 4.532 -1.974 1.00 0.00 C ATOM 857 CG GLN A 57 -3.487 4.172 -0.672 1.00 0.00 C ATOM 858 CD GLN A 57 -3.325 5.364 0.251 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.774 6.451 -0.276 1.00 0.00 O flip ATOM 860 NE2 GLN A 57 -3.692 5.310 1.424 1.00 0.00 N flip ATOM 0 H GLN A 57 -3.937 1.396 -2.700 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.502 2.828 -2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.476 5.044 -2.626 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.989 5.236 -1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.057 3.396 -0.161 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.506 3.752 -0.893 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.111 4.454 1.788 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.577 6.121 2.032 1.00 0.00 H new ATOM 869 N ILE A 58 -6.313 2.927 -4.568 1.00 0.00 N ATOM 870 CA ILE A 58 -7.006 3.290 -5.786 1.00 0.00 C ATOM 871 C ILE A 58 -8.303 4.002 -5.466 1.00 0.00 C ATOM 872 O ILE A 58 -9.345 3.373 -5.284 1.00 0.00 O ATOM 873 CB ILE A 58 -7.298 2.061 -6.667 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.086 1.123 -6.696 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.672 2.496 -8.076 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.788 1.811 -7.072 1.00 0.00 C ATOM 0 H ILE A 58 -6.532 1.997 -4.210 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.349 3.959 -6.342 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.141 1.519 -6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.971 0.663 -5.715 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.278 0.318 -7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.875 1.616 -8.686 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.561 3.125 -8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.848 3.059 -8.514 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.977 1.083 -7.071 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.882 2.248 -8.066 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.571 2.598 -6.349 1.00 0.00 H new ATOM 888 N ASN A 59 -8.232 5.323 -5.401 1.00 0.00 N ATOM 889 CA ASN A 59 -9.405 6.122 -5.113 1.00 0.00 C ATOM 890 C ASN A 59 -10.412 5.947 -6.235 1.00 0.00 C ATOM 891 O ASN A 59 -10.282 6.554 -7.294 1.00 0.00 O ATOM 892 CB ASN A 59 -9.025 7.595 -4.967 1.00 0.00 C ATOM 893 CG ASN A 59 -10.217 8.472 -4.641 1.00 0.00 C ATOM 894 OD1 ASN A 59 -11.268 7.984 -4.226 1.00 0.00 O ATOM 895 ND2 ASN A 59 -10.060 9.778 -4.828 1.00 0.00 N ATOM 0 H ASN A 59 -7.376 5.859 -5.544 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.846 5.791 -4.173 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.277 7.698 -4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.565 7.942 -5.892 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.828 10.418 -4.626 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.171 10.141 -5.174 1.00 0.00 H new ATOM 902 N SER A 60 -11.415 5.112 -6.006 1.00 0.00 N ATOM 903 CA SER A 60 -12.440 4.862 -7.013 1.00 0.00 C ATOM 904 C SER A 60 -13.228 6.130 -7.341 1.00 0.00 C ATOM 905 O SER A 60 -13.977 6.165 -8.317 1.00 0.00 O ATOM 906 CB SER A 60 -13.395 3.767 -6.534 1.00 0.00 C ATOM 907 OG SER A 60 -14.447 4.311 -5.755 1.00 0.00 O ATOM 0 H SER A 60 -11.542 4.597 -5.135 1.00 0.00 H new ATOM 0 HA SER A 60 -11.936 4.533 -7.922 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.810 3.241 -7.394 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.845 3.033 -5.946 1.00 0.00 H new ATOM 0 HG SER A 60 -14.253 4.176 -4.804 1.00 0.00 H new ATOM 913 N ARG A 61 -13.059 7.171 -6.527 1.00 0.00 N ATOM 914 CA ARG A 61 -13.761 8.433 -6.749 1.00 0.00 C ATOM 915 C ARG A 61 -13.031 9.282 -7.785 1.00 0.00 C ATOM 916 O ARG A 61 -13.612 9.692 -8.790 1.00 0.00 O ATOM 917 CB ARG A 61 -13.890 9.208 -5.435 1.00 0.00 C ATOM 918 CG ARG A 61 -14.781 10.434 -5.537 1.00 0.00 C ATOM 919 CD ARG A 61 -16.109 10.219 -4.829 1.00 0.00 C ATOM 920 NE ARG A 61 -16.576 11.431 -4.161 1.00 0.00 N ATOM 921 CZ ARG A 61 -17.310 11.426 -3.052 1.00 0.00 C ATOM 922 NH1 ARG A 61 -17.659 10.278 -2.488 1.00 0.00 N ATOM 923 NH2 ARG A 61 -17.696 12.571 -2.506 1.00 0.00 N ATOM 0 H ARG A 61 -12.445 7.166 -5.712 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.758 8.206 -7.126 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.288 8.543 -4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.898 9.517 -5.106 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.271 11.293 -5.102 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -14.961 10.668 -6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.857 9.893 -5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.004 9.419 -4.096 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.325 12.332 -4.568 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.364 9.395 -2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.222 10.278 -1.637 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.430 13.457 -2.937 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.259 12.566 -1.655 1.00 0.00 H new ATOM 937 N TRP A 62 -11.751 9.535 -7.532 1.00 0.00 N ATOM 938 CA TRP A 62 -10.935 10.327 -8.444 1.00 0.00 C ATOM 939 C TRP A 62 -10.486 9.474 -9.623 1.00 0.00 C ATOM 940 O TRP A 62 -10.523 9.911 -10.774 1.00 0.00 O ATOM 941 CB TRP A 62 -9.716 10.896 -7.715 1.00 0.00 C ATOM 942 CG TRP A 62 -9.910 12.304 -7.243 1.00 0.00 C ATOM 943 CD1 TRP A 62 -10.773 12.734 -6.275 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.228 13.471 -7.719 1.00 0.00 C ATOM 945 NE1 TRP A 62 -10.668 14.095 -6.119 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.726 14.571 -6.994 1.00 0.00 C ATOM 947 CE3 TRP A 62 -8.243 13.692 -8.685 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.273 15.870 -7.207 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -7.794 14.983 -8.895 1.00 0.00 C ATOM 950 CH2 TRP A 62 -8.308 16.057 -8.160 1.00 0.00 C ATOM 0 H TRP A 62 -11.257 9.203 -6.704 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.537 11.156 -8.816 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.485 10.262 -6.859 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.854 10.859 -8.381 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -11.441 12.097 -5.714 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -11.204 14.659 -5.460 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -7.840 12.870 -9.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.669 16.700 -6.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -7.033 15.166 -9.639 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -7.936 17.053 -8.348 1.00 0.00 H new ATOM 961 N TRP A 63 -10.072 8.248 -9.324 1.00 0.00 N ATOM 962 CA TRP A 63 -9.625 7.317 -10.351 1.00 0.00 C ATOM 963 C TRP A 63 -10.674 6.243 -10.606 1.00 0.00 C ATOM 964 O TRP A 63 -11.496 5.945 -9.741 1.00 0.00 O ATOM 965 CB TRP A 63 -8.308 6.646 -9.943 1.00 0.00 C ATOM 966 CG TRP A 63 -7.295 7.594 -9.383 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.710 7.551 -8.150 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.750 8.728 -10.047 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.825 8.595 -8.014 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.835 9.336 -9.168 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.951 9.287 -11.303 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -5.121 10.479 -9.517 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.251 10.417 -11.651 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.343 11.009 -10.762 1.00 0.00 C ATOM 0 H TRP A 63 -10.037 7.876 -8.375 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.469 7.890 -11.265 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.518 5.875 -9.202 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.882 6.145 -10.812 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.912 6.807 -7.393 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.255 8.787 -7.190 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.648 8.840 -11.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.418 10.931 -8.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.403 10.856 -12.626 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.809 11.898 -11.063 1.00 0.00 H new ATOM 985 N CYS A 64 -10.600 5.648 -11.792 1.00 0.00 N ATOM 986 CA CYS A 64 -11.497 4.571 -12.211 1.00 0.00 C ATOM 987 C CYS A 64 -12.973 4.874 -11.973 1.00 0.00 C ATOM 988 O CYS A 64 -13.342 5.679 -11.120 1.00 0.00 O ATOM 989 CB CYS A 64 -11.120 3.261 -11.508 1.00 0.00 C ATOM 990 SG CYS A 64 -11.970 2.974 -9.916 1.00 0.00 S ATOM 0 H CYS A 64 -9.909 5.901 -12.498 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.367 4.474 -13.289 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.341 2.429 -12.177 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.044 3.254 -11.336 1.00 0.00 H new ATOM 995 N ASN A 65 -13.815 4.197 -12.746 1.00 0.00 N ATOM 996 CA ASN A 65 -15.260 4.359 -12.636 1.00 0.00 C ATOM 997 C ASN A 65 -15.865 3.173 -11.892 1.00 0.00 C ATOM 998 O ASN A 65 -15.887 2.053 -12.404 1.00 0.00 O ATOM 999 CB ASN A 65 -15.891 4.485 -14.023 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.386 4.730 -13.958 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.771 5.948 -13.596 1.00 0.00 O flip ATOM 1002 ND2 ASN A 65 -18.186 3.834 -14.229 1.00 0.00 N flip ATOM 0 H ASN A 65 -13.520 3.529 -13.458 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.465 5.271 -12.076 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.415 5.303 -14.563 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.699 3.574 -14.591 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.846 2.912 -14.503 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.189 4.014 -14.180 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.342 3.422 -10.679 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.936 2.369 -9.862 1.00 0.00 C ATOM 1011 C ASP A 66 -18.459 2.394 -9.941 1.00 0.00 C ATOM 1012 O ASP A 66 -19.123 1.424 -9.573 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.481 2.508 -8.407 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.078 3.724 -7.725 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.348 4.724 -8.423 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.273 3.676 -6.492 1.00 0.00 O ATOM 0 H ASP A 66 -16.330 4.342 -10.239 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.596 1.410 -10.254 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.762 1.611 -7.855 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.394 2.575 -8.375 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.009 3.503 -10.427 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.451 3.623 -10.552 1.00 0.00 C ATOM 1023 C GLY A 67 -21.154 3.763 -9.212 1.00 0.00 C ATOM 1024 O GLY A 67 -22.336 4.103 -9.161 1.00 0.00 O ATOM 0 H GLY A 67 -18.482 4.320 -10.736 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.686 4.489 -11.171 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.839 2.746 -11.070 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.430 3.502 -8.127 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.000 3.602 -6.789 1.00 0.00 C ATOM 1030 C ARG A 68 -21.040 5.053 -6.324 1.00 0.00 C ATOM 1031 O ARG A 68 -21.517 5.353 -5.229 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.190 2.760 -5.801 1.00 0.00 C ATOM 1033 CG ARG A 68 -19.976 1.326 -6.258 1.00 0.00 C ATOM 1034 CD ARG A 68 -21.140 0.434 -5.858 1.00 0.00 C ATOM 1035 NE ARG A 68 -21.326 -0.673 -6.792 1.00 0.00 N ATOM 1036 CZ ARG A 68 -22.280 -1.592 -6.666 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -23.129 -1.537 -5.649 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -22.383 -2.568 -7.558 1.00 0.00 N ATOM 0 H ARG A 68 -19.450 3.220 -8.149 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.021 3.222 -6.827 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.220 3.231 -5.644 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.700 2.754 -4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -19.854 1.303 -7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -19.054 0.939 -5.825 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.967 0.039 -4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -22.053 1.028 -5.813 1.00 0.00 H new ATOM 0 HE ARG A 68 -20.689 -0.746 -7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -23.052 -0.789 -4.960 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -23.859 -2.243 -5.555 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -21.731 -2.614 -8.341 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -23.114 -3.272 -7.461 1.00 0.00 H new ATOM 1052 N THR A 69 -20.536 5.950 -7.165 1.00 0.00 N ATOM 1053 CA THR A 69 -20.514 7.372 -6.845 1.00 0.00 C ATOM 1054 C THR A 69 -20.700 8.219 -8.101 1.00 0.00 C ATOM 1055 O THR A 69 -20.013 8.015 -9.102 1.00 0.00 O ATOM 1056 CB THR A 69 -19.194 7.774 -6.161 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.672 6.669 -5.413 1.00 0.00 O ATOM 1058 CG2 THR A 69 -19.405 8.962 -5.234 1.00 0.00 C ATOM 0 H THR A 69 -20.137 5.717 -8.074 1.00 0.00 H new ATOM 0 HA THR A 69 -21.340 7.555 -6.158 1.00 0.00 H new ATOM 0 HB THR A 69 -18.482 8.058 -6.936 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.832 6.933 -4.983 1.00 0.00 H new ATOM 0 HG21 THR A 69 -18.459 9.228 -4.762 1.00 0.00 H new ATOM 0 HG22 THR A 69 -19.775 9.811 -5.809 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.132 8.699 -4.466 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.635 9.186 -8.068 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.904 10.063 -9.212 1.00 0.00 C ATOM 1068 C PRO A 70 -20.759 11.034 -9.478 1.00 0.00 C ATOM 1069 O PRO A 70 -20.791 11.797 -10.444 1.00 0.00 O ATOM 1070 CB PRO A 70 -23.164 10.823 -8.790 1.00 0.00 C ATOM 1071 CG PRO A 70 -23.136 10.807 -7.301 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.500 9.500 -6.914 1.00 0.00 C ATOM 0 HA PRO A 70 -22.021 9.500 -10.138 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -23.159 11.843 -9.175 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -24.064 10.342 -9.174 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.564 11.650 -6.912 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -24.143 10.888 -6.891 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.924 9.590 -5.993 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -23.247 8.723 -6.748 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.750 11.001 -8.614 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.609 11.883 -8.770 1.00 0.00 C ATOM 1082 C GLY A 71 -17.448 11.211 -9.479 1.00 0.00 C ATOM 1083 O GLY A 71 -16.411 11.832 -9.708 1.00 0.00 O ATOM 0 H GLY A 71 -19.702 10.378 -7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.911 12.767 -9.332 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.282 12.226 -7.788 1.00 0.00 H new ATOM 1087 N SER A 72 -17.623 9.937 -9.822 1.00 0.00 N ATOM 1088 CA SER A 72 -16.582 9.175 -10.506 1.00 0.00 C ATOM 1089 C SER A 72 -16.084 9.916 -11.741 1.00 0.00 C ATOM 1090 O SER A 72 -16.744 9.929 -12.781 1.00 0.00 O ATOM 1091 CB SER A 72 -17.111 7.795 -10.903 1.00 0.00 C ATOM 1092 OG SER A 72 -16.183 6.778 -10.568 1.00 0.00 O ATOM 0 H SER A 72 -18.477 9.410 -9.637 1.00 0.00 H new ATOM 0 HA SER A 72 -15.745 9.053 -9.818 1.00 0.00 H new ATOM 0 HB2 SER A 72 -18.059 7.607 -10.399 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.309 7.772 -11.975 1.00 0.00 H new ATOM 0 HG SER A 72 -16.524 6.261 -9.808 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.915 10.537 -11.618 1.00 0.00 N ATOM 1099 CA ARG A 73 -14.324 11.286 -12.720 1.00 0.00 C ATOM 1100 C ARG A 73 -13.854 10.351 -13.831 1.00 0.00 C ATOM 1101 O ARG A 73 -14.007 10.656 -15.014 1.00 0.00 O ATOM 1102 CB ARG A 73 -13.150 12.130 -12.219 1.00 0.00 C ATOM 1103 CG ARG A 73 -13.541 13.549 -11.838 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.462 14.547 -12.223 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.890 15.425 -13.309 1.00 0.00 N ATOM 1106 CZ ARG A 73 -12.437 16.664 -13.478 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -11.545 17.168 -12.637 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -12.877 17.399 -14.491 1.00 0.00 N ATOM 0 H ARG A 73 -14.358 10.536 -10.764 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.091 11.945 -13.127 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.704 11.640 -11.354 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.384 12.168 -12.994 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.476 13.815 -12.331 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.721 13.602 -10.764 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.198 15.149 -11.353 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.563 14.010 -12.524 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.575 15.068 -13.975 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.204 16.605 -11.858 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.199 18.119 -12.769 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.563 17.014 -15.140 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.529 18.349 -14.620 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.268 9.220 -13.438 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.759 8.240 -14.395 1.00 0.00 C ATOM 1124 C ASN A 74 -11.530 8.798 -15.098 1.00 0.00 C ATOM 1125 O ASN A 74 -11.326 8.587 -16.294 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.835 7.866 -15.419 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.614 6.490 -16.017 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.198 5.543 -15.184 1.00 0.00 O flip ATOM 1129 ND2 ASN A 74 -13.815 6.281 -17.213 1.00 0.00 N flip ATOM 0 H ASN A 74 -13.134 8.960 -12.461 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.482 7.336 -13.853 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.814 7.898 -14.941 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.846 8.608 -16.217 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.135 7.039 -17.816 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.662 5.350 -17.601 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.707 9.494 -14.325 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.478 10.078 -14.816 1.00 0.00 C ATOM 1138 C LEU A 75 -8.565 9.019 -15.363 1.00 0.00 C ATOM 1139 O LEU A 75 -7.946 9.156 -16.419 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.783 10.731 -13.643 1.00 0.00 C ATOM 1141 CG LEU A 75 -9.066 12.221 -13.462 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.547 12.711 -12.120 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.454 13.026 -14.600 1.00 0.00 C ATOM 0 H LEU A 75 -10.879 9.667 -13.335 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.708 10.791 -15.607 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.076 10.209 -12.732 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.708 10.594 -13.757 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.146 12.366 -13.482 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.760 13.775 -12.014 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.038 12.161 -11.317 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.470 12.549 -12.065 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.667 14.085 -14.452 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.375 12.872 -14.616 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.881 12.699 -15.548 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.498 7.976 -14.591 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.684 6.836 -14.879 1.00 0.00 C ATOM 1157 C CYS A 76 -8.374 5.934 -15.892 1.00 0.00 C ATOM 1158 O CYS A 76 -7.723 5.233 -16.667 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.461 6.120 -13.569 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.759 5.548 -13.284 1.00 0.00 S ATOM 0 H CYS A 76 -9.023 7.894 -13.720 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.731 7.130 -15.319 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.745 6.787 -12.755 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.129 5.260 -13.524 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.705 5.963 -15.869 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.504 5.149 -16.775 1.00 0.00 C ATOM 1167 C ASN A 77 -10.059 3.700 -16.681 1.00 0.00 C ATOM 1168 O ASN A 77 -9.687 3.081 -17.679 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.368 5.653 -18.214 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.620 5.409 -19.034 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.176 6.331 -19.630 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.071 4.160 -19.068 1.00 0.00 N ATOM 0 H ASN A 77 -10.251 6.543 -15.231 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.552 5.223 -16.486 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.147 6.720 -18.203 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.522 5.157 -18.691 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.910 3.935 -19.603 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.579 3.426 -18.559 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.078 3.174 -15.463 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.653 1.807 -15.223 1.00 0.00 C ATOM 1181 C ILE A 78 -10.726 0.999 -14.501 1.00 0.00 C ATOM 1182 O ILE A 78 -11.580 1.559 -13.817 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.349 1.766 -14.395 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.644 1.443 -12.920 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.619 3.089 -14.532 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.779 2.193 -11.928 1.00 0.00 C ATOM 0 H ILE A 78 -10.383 3.675 -14.629 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.476 1.360 -16.201 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.709 0.971 -14.779 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.690 1.669 -12.714 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.512 0.373 -12.762 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.699 3.059 -13.948 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.377 3.264 -15.580 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.255 3.895 -14.167 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.055 1.905 -10.914 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.731 1.949 -12.102 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.928 3.265 -12.053 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.676 -0.338 -14.613 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.623 -1.207 -13.929 1.00 0.00 C ATOM 1200 C PRO A 79 -11.235 -1.347 -12.463 1.00 0.00 C ATOM 1201 O PRO A 79 -10.216 -1.959 -12.140 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.476 -2.534 -14.669 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.063 -2.545 -15.147 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.675 -1.106 -15.382 1.00 0.00 C ATOM 0 HA PRO A 79 -12.647 -0.834 -13.937 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.678 -3.379 -14.011 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.176 -2.603 -15.501 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.408 -3.007 -14.408 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -9.969 -3.126 -16.064 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.662 -0.903 -15.034 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.705 -0.852 -16.442 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.029 -0.755 -11.580 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.741 -0.794 -10.152 1.00 0.00 C ATOM 1214 C CYS A 80 -11.730 -2.225 -9.616 1.00 0.00 C ATOM 1215 O CYS A 80 -10.722 -2.681 -9.080 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.754 0.066 -9.394 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.335 1.523 -10.331 1.00 0.00 S ATOM 0 H CYS A 80 -12.876 -0.243 -11.827 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.742 -0.387 -9.995 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.613 -0.550 -9.130 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.304 0.403 -8.460 1.00 0.00 H new ATOM 1222 N SER A 81 -12.852 -2.925 -9.744 1.00 0.00 N ATOM 1223 CA SER A 81 -12.960 -4.299 -9.254 1.00 0.00 C ATOM 1224 C SER A 81 -11.870 -5.206 -9.832 1.00 0.00 C ATOM 1225 O SER A 81 -11.502 -6.208 -9.218 1.00 0.00 O ATOM 1226 CB SER A 81 -14.338 -4.870 -9.590 1.00 0.00 C ATOM 1227 OG SER A 81 -14.539 -4.930 -10.991 1.00 0.00 O ATOM 0 H SER A 81 -13.700 -2.566 -10.182 1.00 0.00 H new ATOM 0 HA SER A 81 -12.826 -4.268 -8.173 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.435 -5.868 -9.163 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.112 -4.252 -9.135 1.00 0.00 H new ATOM 0 HG SER A 81 -15.427 -5.300 -11.179 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.359 -4.860 -11.012 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.318 -5.662 -11.657 1.00 0.00 C ATOM 1235 C ALA A 82 -8.989 -5.552 -10.914 1.00 0.00 C ATOM 1236 O ALA A 82 -8.042 -6.286 -11.201 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.149 -5.241 -13.108 1.00 0.00 C ATOM 0 H ALA A 82 -11.646 -4.035 -11.539 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.633 -6.705 -11.625 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.372 -5.846 -13.574 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.089 -5.385 -13.640 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.865 -4.190 -13.151 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.931 -4.636 -9.957 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.724 -4.431 -9.164 1.00 0.00 C ATOM 1245 C LEU A 83 -7.870 -5.075 -7.792 1.00 0.00 C ATOM 1246 O LEU A 83 -6.910 -5.160 -7.027 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.422 -2.934 -9.016 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.063 -2.246 -7.808 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.072 -2.154 -6.657 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.566 -0.861 -8.189 1.00 0.00 C ATOM 0 H LEU A 83 -9.707 -4.021 -9.710 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.891 -4.904 -9.684 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.342 -2.804 -8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.753 -2.424 -9.920 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.913 -2.845 -7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.546 -1.662 -5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.757 -3.156 -6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.202 -1.577 -6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.019 -0.386 -7.319 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.731 -0.255 -8.540 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.309 -0.949 -8.982 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.084 -5.515 -7.485 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.372 -6.138 -6.202 1.00 0.00 C ATOM 1264 C LEU A 84 -9.625 -7.635 -6.357 1.00 0.00 C ATOM 1265 O LEU A 84 -10.502 -8.200 -5.704 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.581 -5.453 -5.572 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.726 -3.979 -5.947 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.183 -3.552 -5.910 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.885 -3.110 -5.023 1.00 0.00 C ATOM 0 H LEU A 84 -9.887 -5.451 -8.111 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.505 -6.020 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.484 -5.984 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.508 -5.536 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.363 -3.848 -6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.261 -2.499 -6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.756 -4.152 -6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.580 -3.699 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.000 -2.063 -5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.215 -3.248 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.837 -3.396 -5.109 1.00 0.00 H new ATOM 1281 N SER A 85 -8.836 -8.270 -7.217 1.00 0.00 N ATOM 1282 CA SER A 85 -8.957 -9.705 -7.448 1.00 0.00 C ATOM 1283 C SER A 85 -7.616 -10.388 -7.249 1.00 0.00 C ATOM 1284 O SER A 85 -7.264 -11.339 -7.948 1.00 0.00 O ATOM 1285 CB SER A 85 -9.503 -9.989 -8.849 1.00 0.00 C ATOM 1286 OG SER A 85 -9.137 -8.965 -9.757 1.00 0.00 O ATOM 0 H SER A 85 -8.106 -7.814 -7.765 1.00 0.00 H new ATOM 0 HA SER A 85 -9.663 -10.109 -6.723 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.122 -10.947 -9.204 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.589 -10.073 -8.809 1.00 0.00 H new ATOM 0 HG SER A 85 -9.497 -9.171 -10.645 1.00 0.00 H new ATOM 1292 N SER A 86 -6.877 -9.858 -6.292 1.00 0.00 N ATOM 1293 CA SER A 86 -5.546 -10.350 -5.950 1.00 0.00 C ATOM 1294 C SER A 86 -4.605 -9.998 -7.078 1.00 0.00 C ATOM 1295 O SER A 86 -3.554 -10.609 -7.267 1.00 0.00 O ATOM 1296 CB SER A 86 -5.559 -11.863 -5.712 1.00 0.00 C ATOM 1297 OG SER A 86 -4.294 -12.319 -5.263 1.00 0.00 O ATOM 0 H SER A 86 -7.182 -9.068 -5.723 1.00 0.00 H new ATOM 0 HA SER A 86 -5.212 -9.882 -5.024 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.322 -12.112 -4.974 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.828 -12.377 -6.635 1.00 0.00 H new ATOM 0 HG SER A 86 -3.589 -11.932 -5.823 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.039 -9.013 -7.846 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.316 -8.544 -9.004 1.00 0.00 C ATOM 1305 C ASP A 87 -4.002 -7.058 -8.885 1.00 0.00 C ATOM 1306 O ASP A 87 -4.911 -6.228 -8.856 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.193 -8.793 -10.218 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.439 -8.677 -11.528 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.325 -9.235 -11.623 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -4.962 -8.028 -12.458 1.00 0.00 O ATOM 0 H ASP A 87 -5.913 -8.515 -7.677 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.367 -9.073 -9.092 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.631 -9.788 -10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.018 -8.080 -10.216 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.718 -6.720 -8.819 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.317 -5.325 -8.709 1.00 0.00 C ATOM 1317 C ILE A 88 -2.216 -4.675 -10.079 1.00 0.00 C ATOM 1318 O ILE A 88 -1.979 -3.478 -10.181 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.966 -5.159 -7.988 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.068 -6.375 -8.225 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.186 -4.933 -6.502 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.401 -6.028 -8.333 1.00 0.00 C ATOM 0 H ILE A 88 -1.946 -7.386 -8.840 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.091 -4.835 -8.119 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.462 -4.285 -8.400 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.207 -7.084 -7.409 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.383 -6.877 -9.140 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.223 -4.817 -6.005 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.781 -4.031 -6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.713 -5.788 -6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.978 -6.937 -8.501 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.553 -5.343 -9.167 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.732 -5.553 -7.409 1.00 0.00 H new ATOM 1334 N THR A 89 -2.383 -5.471 -11.131 1.00 0.00 N ATOM 1335 CA THR A 89 -2.299 -4.960 -12.494 1.00 0.00 C ATOM 1336 C THR A 89 -3.112 -3.680 -12.660 1.00 0.00 C ATOM 1337 O THR A 89 -2.581 -2.649 -13.070 1.00 0.00 O ATOM 1338 CB THR A 89 -2.791 -6.002 -13.516 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.229 -7.285 -13.217 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.409 -5.594 -14.931 1.00 0.00 C ATOM 0 H THR A 89 -2.577 -6.470 -11.065 1.00 0.00 H new ATOM 0 HA THR A 89 -1.247 -4.743 -12.682 1.00 0.00 H new ATOM 0 HB THR A 89 -3.878 -6.057 -13.451 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.251 -7.226 -13.234 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.767 -6.345 -15.635 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.861 -4.631 -15.167 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.325 -5.514 -15.006 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.404 -3.755 -12.353 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.286 -2.611 -12.482 1.00 0.00 C ATOM 1350 C ALA A 90 -4.881 -1.469 -11.548 1.00 0.00 C ATOM 1351 O ALA A 90 -4.831 -0.309 -11.960 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.725 -3.026 -12.225 1.00 0.00 C ATOM 0 H ALA A 90 -4.860 -4.602 -12.012 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.199 -2.240 -13.503 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.377 -2.158 -12.325 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.019 -3.786 -12.949 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.812 -3.431 -11.217 1.00 0.00 H new ATOM 1358 N SER A 91 -4.587 -1.804 -10.292 1.00 0.00 N ATOM 1359 CA SER A 91 -4.181 -0.803 -9.308 1.00 0.00 C ATOM 1360 C SER A 91 -2.885 -0.124 -9.719 1.00 0.00 C ATOM 1361 O SER A 91 -2.693 1.071 -9.484 1.00 0.00 O ATOM 1362 CB SER A 91 -4.010 -1.448 -7.931 1.00 0.00 C ATOM 1363 OG SER A 91 -4.325 -2.830 -7.972 1.00 0.00 O ATOM 0 H SER A 91 -4.622 -2.758 -9.933 1.00 0.00 H new ATOM 0 HA SER A 91 -4.966 -0.049 -9.258 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.984 -1.316 -7.589 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.654 -0.946 -7.209 1.00 0.00 H new ATOM 0 HG SER A 91 -4.042 -3.255 -7.136 1.00 0.00 H new ATOM 1369 N VAL A 92 -2.000 -0.887 -10.335 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.732 -0.340 -10.768 1.00 0.00 C ATOM 1371 C VAL A 92 -0.911 0.536 -11.985 1.00 0.00 C ATOM 1372 O VAL A 92 -0.463 1.667 -11.990 1.00 0.00 O ATOM 1373 CB VAL A 92 0.329 -1.407 -11.085 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.520 -0.759 -11.789 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.770 -2.121 -9.816 1.00 0.00 C ATOM 0 H VAL A 92 -2.135 -1.876 -10.544 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.370 0.244 -9.922 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.107 -2.152 -11.751 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.269 -1.519 -12.011 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.186 -0.296 -12.718 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.956 0.001 -11.141 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.521 -2.872 -10.063 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.195 -1.397 -9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.090 -2.606 -9.354 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.571 0.016 -13.014 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.797 0.777 -14.215 1.00 0.00 C ATOM 1387 C ASN A 93 -2.190 2.202 -13.864 1.00 0.00 C ATOM 1388 O ASN A 93 -1.667 3.170 -14.423 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.862 0.103 -15.061 1.00 0.00 C ATOM 1390 CG ASN A 93 -4.038 1.008 -15.377 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -5.156 0.786 -14.696 1.00 0.00 O flip ATOM 1392 ND2 ASN A 93 -3.944 1.895 -16.226 1.00 0.00 N flip ATOM 0 H ASN A 93 -1.954 -0.929 -13.031 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.876 0.817 -14.797 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.413 -0.238 -15.994 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.224 -0.783 -14.539 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.066 2.031 -16.726 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.745 2.494 -16.429 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.096 2.317 -12.902 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.546 3.615 -12.444 1.00 0.00 C ATOM 1401 C CYS A 94 -2.384 4.409 -11.870 1.00 0.00 C ATOM 1402 O CYS A 94 -2.193 5.574 -12.215 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.645 3.468 -11.396 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.811 4.864 -11.373 1.00 0.00 S ATOM 0 H CYS A 94 -3.530 1.526 -12.427 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.952 4.153 -13.300 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.196 2.547 -11.585 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.188 3.370 -10.412 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.606 3.776 -10.991 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.468 4.454 -10.383 1.00 0.00 C ATOM 1411 C ALA A 95 0.616 4.721 -11.413 1.00 0.00 C ATOM 1412 O ALA A 95 1.223 5.782 -11.406 1.00 0.00 O ATOM 1413 CB ALA A 95 0.086 3.673 -9.216 1.00 0.00 C ATOM 0 H ALA A 95 -1.742 2.811 -10.690 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.824 5.411 -10.001 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.933 4.209 -8.788 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.688 3.554 -8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.414 2.691 -9.558 1.00 0.00 H new ATOM 1419 N LYS A 96 0.842 3.771 -12.316 1.00 0.00 N ATOM 1420 CA LYS A 96 1.831 3.956 -13.363 1.00 0.00 C ATOM 1421 C LYS A 96 1.586 5.328 -13.974 1.00 0.00 C ATOM 1422 O LYS A 96 2.506 6.061 -14.345 1.00 0.00 O ATOM 1423 CB LYS A 96 1.696 2.867 -14.431 1.00 0.00 C ATOM 1424 CG LYS A 96 3.030 2.335 -14.929 1.00 0.00 C ATOM 1425 CD LYS A 96 2.987 2.030 -16.417 1.00 0.00 C ATOM 1426 CE LYS A 96 2.714 0.557 -16.676 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.841 0.214 -18.119 1.00 0.00 N ATOM 0 H LYS A 96 0.356 2.874 -12.341 1.00 0.00 H new ATOM 0 HA LYS A 96 2.839 3.888 -12.954 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.114 2.040 -14.024 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.135 3.266 -15.276 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.812 3.067 -14.729 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.291 1.431 -14.379 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.213 2.633 -16.891 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.935 2.311 -16.875 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.411 -0.049 -16.096 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.711 0.308 -16.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.647 -0.799 -18.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.159 0.773 -18.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.806 0.428 -18.443 1.00 0.00 H new ATOM 1441 N LYS A 97 0.301 5.670 -13.999 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.158 6.959 -14.489 1.00 0.00 C ATOM 1443 C LYS A 97 -0.045 8.003 -13.382 1.00 0.00 C ATOM 1444 O LYS A 97 0.316 9.155 -13.632 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.603 6.865 -14.982 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.727 6.341 -16.404 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.375 7.367 -17.320 1.00 0.00 C ATOM 1448 CE LYS A 97 -2.188 7.002 -18.784 1.00 0.00 C ATOM 1449 NZ LYS A 97 -0.861 7.438 -19.300 1.00 0.00 N ATOM 0 H LYS A 97 -0.450 5.058 -13.679 1.00 0.00 H new ATOM 0 HA LYS A 97 0.471 7.258 -15.328 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.165 6.213 -14.313 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.062 7.852 -14.926 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.739 6.083 -16.786 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.318 5.425 -16.405 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.439 7.437 -17.094 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.943 8.350 -17.131 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.288 5.923 -18.905 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.978 7.464 -19.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.773 7.171 -20.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.775 8.470 -19.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.107 6.978 -18.751 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.340 7.586 -12.148 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.256 8.481 -11.003 1.00 0.00 C ATOM 1465 C ILE A 98 1.157 9.038 -10.861 1.00 0.00 C ATOM 1466 O ILE A 98 1.349 10.240 -10.712 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.674 7.791 -9.689 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -2.147 7.372 -9.757 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.447 8.724 -8.507 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.579 6.483 -8.610 1.00 0.00 C ATOM 0 H ILE A 98 -0.638 6.637 -11.922 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.955 9.297 -11.189 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.061 6.900 -9.553 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.770 8.266 -9.767 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.324 6.850 -10.697 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.746 8.224 -7.586 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.609 8.988 -8.450 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.041 9.629 -8.638 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.632 6.227 -8.725 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.982 5.571 -8.611 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.435 7.010 -7.667 1.00 0.00 H new ATOM 1482 N VAL A 99 2.139 8.144 -10.898 1.00 0.00 N ATOM 1483 CA VAL A 99 3.541 8.520 -10.770 1.00 0.00 C ATOM 1484 C VAL A 99 4.067 9.179 -12.044 1.00 0.00 C ATOM 1485 O VAL A 99 4.991 9.992 -11.990 1.00 0.00 O ATOM 1486 CB VAL A 99 4.415 7.296 -10.434 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.507 6.354 -11.624 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.801 7.735 -9.987 1.00 0.00 C ATOM 0 H VAL A 99 1.986 7.143 -11.017 1.00 0.00 H new ATOM 0 HA VAL A 99 3.600 9.240 -9.954 1.00 0.00 H new ATOM 0 HB VAL A 99 3.944 6.757 -9.612 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.129 5.498 -11.363 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.509 6.009 -11.893 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.950 6.879 -12.470 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.403 6.857 -9.754 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.279 8.301 -10.787 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.715 8.362 -9.099 1.00 0.00 H new ATOM 1498 N SER A 100 3.478 8.835 -13.189 1.00 0.00 N ATOM 1499 CA SER A 100 3.904 9.412 -14.461 1.00 0.00 C ATOM 1500 C SER A 100 3.253 10.775 -14.691 1.00 0.00 C ATOM 1501 O SER A 100 3.575 11.469 -15.656 1.00 0.00 O ATOM 1502 CB SER A 100 3.561 8.472 -15.617 1.00 0.00 C ATOM 1503 OG SER A 100 4.129 8.929 -16.832 1.00 0.00 O ATOM 0 H SER A 100 2.712 8.166 -13.261 1.00 0.00 H new ATOM 0 HA SER A 100 4.985 9.547 -14.420 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.927 7.469 -15.395 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.478 8.400 -15.722 1.00 0.00 H new ATOM 0 HG SER A 100 4.249 9.901 -16.792 1.00 0.00 H new ATOM 1509 N ASP A 101 2.336 11.149 -13.805 1.00 0.00 N ATOM 1510 CA ASP A 101 1.642 12.429 -13.925 1.00 0.00 C ATOM 1511 C ASP A 101 1.585 13.173 -12.592 1.00 0.00 C ATOM 1512 O ASP A 101 1.155 14.325 -12.537 1.00 0.00 O ATOM 1513 CB ASP A 101 0.223 12.210 -14.455 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.103 13.118 -15.626 1.00 0.00 C ATOM 1515 OD1 ASP A 101 0.616 13.051 -16.645 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.075 13.894 -15.522 1.00 0.00 O ATOM 0 H ASP A 101 2.056 10.589 -13.000 1.00 0.00 H new ATOM 0 HA ASP A 101 2.207 13.043 -14.627 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.109 11.170 -14.762 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.493 12.386 -13.652 1.00 0.00 H new ATOM 1521 N GLY A 102 2.003 12.510 -11.519 1.00 0.00 N ATOM 1522 CA GLY A 102 1.969 13.131 -10.205 1.00 0.00 C ATOM 1523 C GLY A 102 3.340 13.536 -9.699 1.00 0.00 C ATOM 1524 O GLY A 102 4.128 14.138 -10.431 1.00 0.00 O ATOM 0 H GLY A 102 2.364 11.556 -11.534 1.00 0.00 H new ATOM 0 HA2 GLY A 102 1.328 14.012 -10.243 1.00 0.00 H new ATOM 0 HA3 GLY A 102 1.517 12.439 -9.495 1.00 0.00 H new ATOM 1528 N ASN A 103 3.622 13.214 -8.439 1.00 0.00 N ATOM 1529 CA ASN A 103 4.901 13.558 -7.827 1.00 0.00 C ATOM 1530 C ASN A 103 5.605 12.322 -7.267 1.00 0.00 C ATOM 1531 O ASN A 103 5.953 12.276 -6.089 1.00 0.00 O ATOM 1532 CB ASN A 103 4.695 14.588 -6.716 1.00 0.00 C ATOM 1533 CG ASN A 103 5.522 15.842 -6.928 1.00 0.00 C ATOM 1534 OD1 ASN A 103 6.137 16.334 -5.859 1.00 0.00 O flip ATOM 1535 ND2 ASN A 103 5.606 16.362 -8.040 1.00 0.00 N flip ATOM 0 H ASN A 103 2.981 12.715 -7.822 1.00 0.00 H new ATOM 0 HA ASN A 103 5.536 13.985 -8.603 1.00 0.00 H new ATOM 0 HB2 ASN A 103 3.640 14.857 -6.665 1.00 0.00 H new ATOM 0 HB3 ASN A 103 4.957 14.141 -5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 103 5.116 15.950 -8.834 1.00 0.00 H new ATOM 0 HD22 ASN A 103 6.165 17.205 -8.168 1.00 0.00 H new ATOM 1542 N GLY A 104 5.820 11.332 -8.125 1.00 0.00 N ATOM 1543 CA GLY A 104 6.494 10.115 -7.709 1.00 0.00 C ATOM 1544 C GLY A 104 5.835 9.431 -6.525 1.00 0.00 C ATOM 1545 O GLY A 104 4.636 9.156 -6.544 1.00 0.00 O ATOM 0 H GLY A 104 5.539 11.350 -9.105 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.524 9.421 -8.549 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.527 10.351 -7.453 1.00 0.00 H new ATOM 1549 N MET A 105 6.633 9.154 -5.497 1.00 0.00 N ATOM 1550 CA MET A 105 6.157 8.492 -4.292 1.00 0.00 C ATOM 1551 C MET A 105 5.667 9.509 -3.275 1.00 0.00 C ATOM 1552 O MET A 105 5.176 9.146 -2.206 1.00 0.00 O ATOM 1553 CB MET A 105 7.288 7.672 -3.673 1.00 0.00 C ATOM 1554 CG MET A 105 8.298 7.165 -4.689 1.00 0.00 C ATOM 1555 SD MET A 105 7.546 6.118 -5.945 1.00 0.00 S ATOM 1556 CE MET A 105 6.437 5.151 -4.931 1.00 0.00 C ATOM 0 H MET A 105 7.627 9.383 -5.479 1.00 0.00 H new ATOM 0 HA MET A 105 5.329 7.839 -4.566 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.805 8.282 -2.933 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.860 6.821 -3.142 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.782 8.015 -5.171 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.078 6.605 -4.173 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.289 4.172 -5.386 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.867 5.028 -3.937 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.478 5.663 -4.851 1.00 0.00 H new ATOM 1566 N ASN A 106 5.818 10.784 -3.605 1.00 0.00 N ATOM 1567 CA ASN A 106 5.406 11.854 -2.715 1.00 0.00 C ATOM 1568 C ASN A 106 3.888 11.996 -2.683 1.00 0.00 C ATOM 1569 O ASN A 106 3.319 12.415 -1.675 1.00 0.00 O ATOM 1570 CB ASN A 106 6.057 13.167 -3.144 1.00 0.00 C ATOM 1571 CG ASN A 106 7.411 12.960 -3.798 1.00 0.00 C ATOM 1572 OD1 ASN A 106 8.157 12.050 -3.435 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.737 13.810 -4.764 1.00 0.00 N ATOM 0 H ASN A 106 6.224 11.101 -4.485 1.00 0.00 H new ATOM 0 HA ASN A 106 5.736 11.605 -1.706 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.397 13.685 -3.840 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.173 13.812 -2.273 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.636 13.724 -5.237 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.088 14.550 -5.033 1.00 0.00 H new ATOM 1580 N ALA A 107 3.234 11.645 -3.789 1.00 0.00 N ATOM 1581 CA ALA A 107 1.780 11.735 -3.876 1.00 0.00 C ATOM 1582 C ALA A 107 1.123 11.017 -2.704 1.00 0.00 C ATOM 1583 O ALA A 107 0.219 11.551 -2.060 1.00 0.00 O ATOM 1584 CB ALA A 107 1.292 11.157 -5.196 1.00 0.00 C ATOM 0 H ALA A 107 3.687 11.297 -4.634 1.00 0.00 H new ATOM 0 HA ALA A 107 1.498 12.787 -3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.206 11.231 -5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.732 11.715 -6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.588 10.110 -5.266 1.00 0.00 H new ATOM 1590 N TRP A 108 1.583 9.799 -2.436 1.00 0.00 N ATOM 1591 CA TRP A 108 1.042 9.001 -1.346 1.00 0.00 C ATOM 1592 C TRP A 108 1.613 9.468 -0.009 1.00 0.00 C ATOM 1593 O TRP A 108 2.813 9.707 0.123 1.00 0.00 O ATOM 1594 CB TRP A 108 1.335 7.518 -1.583 1.00 0.00 C ATOM 1595 CG TRP A 108 0.699 6.996 -2.839 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.581 6.543 -2.983 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.311 6.883 -4.129 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.801 6.152 -4.282 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.344 6.350 -5.007 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.581 7.179 -4.629 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.613 6.111 -6.355 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.845 6.940 -5.964 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.866 6.412 -6.814 1.00 0.00 C ATOM 0 H TRP A 108 2.330 9.344 -2.961 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.039 9.134 -1.313 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.413 7.369 -1.637 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.976 6.940 -0.731 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.314 6.498 -2.191 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.676 5.775 -4.647 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.344 7.588 -3.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.141 5.703 -7.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.825 7.165 -6.359 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.105 6.239 -7.853 1.00 0.00 H new ATOM 1614 N VAL A 109 0.726 9.631 0.966 1.00 0.00 N ATOM 1615 CA VAL A 109 1.098 10.114 2.295 1.00 0.00 C ATOM 1616 C VAL A 109 1.785 9.061 3.154 1.00 0.00 C ATOM 1617 O VAL A 109 2.522 9.403 4.079 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.117 10.619 3.063 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.227 11.870 3.855 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.298 10.870 2.135 1.00 0.00 C ATOM 0 H VAL A 109 -0.269 9.433 0.860 1.00 0.00 H new ATOM 0 HA VAL A 109 1.803 10.924 2.108 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.412 9.840 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.655 12.213 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.022 11.644 4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.561 12.652 3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.147 11.229 2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.024 11.619 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.569 9.942 1.632 1.00 0.00 H new ATOM 1630 N ALA A 110 1.556 7.792 2.861 1.00 0.00 N ATOM 1631 CA ALA A 110 2.179 6.722 3.634 1.00 0.00 C ATOM 1632 C ALA A 110 3.672 6.661 3.358 1.00 0.00 C ATOM 1633 O ALA A 110 4.457 6.243 4.208 1.00 0.00 O ATOM 1634 CB ALA A 110 1.522 5.388 3.323 1.00 0.00 C ATOM 0 H ALA A 110 0.951 7.476 2.103 1.00 0.00 H new ATOM 0 HA ALA A 110 2.036 6.936 4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.999 4.602 3.908 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.463 5.436 3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.632 5.167 2.261 1.00 0.00 H new ATOM 1640 N TRP A 111 4.056 7.106 2.171 1.00 0.00 N ATOM 1641 CA TRP A 111 5.458 7.125 1.794 1.00 0.00 C ATOM 1642 C TRP A 111 6.114 8.392 2.330 1.00 0.00 C ATOM 1643 O TRP A 111 7.269 8.370 2.752 1.00 0.00 O ATOM 1644 CB TRP A 111 5.621 7.025 0.273 1.00 0.00 C ATOM 1645 CG TRP A 111 7.052 7.020 -0.176 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.810 5.925 -0.482 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.898 8.160 -0.373 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.073 6.315 -0.856 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.153 7.681 -0.797 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.718 9.539 -0.232 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.219 8.532 -1.080 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.776 10.382 -0.515 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.013 9.876 -0.934 1.00 0.00 C ATOM 0 H TRP A 111 3.418 7.457 1.456 1.00 0.00 H new ATOM 0 HA TRP A 111 5.952 6.258 2.233 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.135 6.114 -0.077 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.104 7.862 -0.196 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.466 4.902 -0.436 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.829 5.689 -1.133 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.769 9.939 0.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.174 8.144 -1.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.647 11.449 -0.411 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.820 10.561 -1.146 1.00 0.00 H new ATOM 1664 N ARG A 112 5.364 9.493 2.335 1.00 0.00 N ATOM 1665 CA ARG A 112 5.867 10.762 2.847 1.00 0.00 C ATOM 1666 C ARG A 112 5.504 10.937 4.318 1.00 0.00 C ATOM 1667 O ARG A 112 5.045 12.002 4.733 1.00 0.00 O ATOM 1668 CB ARG A 112 5.285 11.915 2.047 1.00 0.00 C ATOM 1669 CG ARG A 112 6.218 12.450 0.973 1.00 0.00 C ATOM 1670 CD ARG A 112 6.788 13.806 1.355 1.00 0.00 C ATOM 1671 NE ARG A 112 6.998 14.661 0.190 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.071 15.477 -0.304 1.00 0.00 C ATOM 1673 NH1 ARG A 112 4.875 15.549 0.266 1.00 0.00 N ATOM 1674 NH2 ARG A 112 6.341 16.222 -1.367 1.00 0.00 N ATOM 0 H ARG A 112 4.405 9.529 1.989 1.00 0.00 H new ATOM 0 HA ARG A 112 6.953 10.758 2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.357 11.588 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.029 12.726 2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.033 11.744 0.813 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.678 12.534 0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.110 14.301 2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 112 7.734 13.667 1.878 1.00 0.00 H new ATOM 0 HE ARG A 112 7.907 14.631 -0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.665 14.978 1.085 1.00 0.00 H new ATOM 0 HH12 ARG A 112 4.166 16.175 -0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.260 16.170 -1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 112 5.630 16.848 -1.745 1.00 0.00 H new ATOM 1688 N ASN A 113 5.717 9.894 5.101 1.00 0.00 N ATOM 1689 CA ASN A 113 5.414 9.943 6.527 1.00 0.00 C ATOM 1690 C ASN A 113 6.264 8.950 7.306 1.00 0.00 C ATOM 1691 O ASN A 113 7.052 9.333 8.171 1.00 0.00 O ATOM 1692 CB ASN A 113 3.930 9.656 6.765 1.00 0.00 C ATOM 1693 CG ASN A 113 3.516 9.905 8.202 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.290 11.046 8.606 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.414 8.836 8.982 1.00 0.00 N ATOM 0 H ASN A 113 6.097 9.004 4.778 1.00 0.00 H new ATOM 0 HA ASN A 113 5.648 10.946 6.883 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.331 10.282 6.104 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.717 8.620 6.503 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.139 8.942 9.958 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.611 7.909 8.605 1.00 0.00 H new ATOM 1702 N ARG A 114 6.088 7.675 6.999 1.00 0.00 N ATOM 1703 CA ARG A 114 6.826 6.618 7.674 1.00 0.00 C ATOM 1704 C ARG A 114 7.947 6.071 6.798 1.00 0.00 C ATOM 1705 O ARG A 114 8.682 5.172 7.210 1.00 0.00 O ATOM 1706 CB ARG A 114 5.876 5.489 8.057 1.00 0.00 C ATOM 1707 CG ARG A 114 5.272 5.641 9.444 1.00 0.00 C ATOM 1708 CD ARG A 114 6.095 4.909 10.493 1.00 0.00 C ATOM 1709 NE ARG A 114 7.444 5.457 10.611 1.00 0.00 N ATOM 1710 CZ ARG A 114 8.385 4.937 11.393 1.00 0.00 C ATOM 1711 NH1 ARG A 114 8.126 3.862 12.125 1.00 0.00 N ATOM 1712 NH2 ARG A 114 9.588 5.494 11.445 1.00 0.00 N ATOM 0 H ARG A 114 5.439 7.346 6.285 1.00 0.00 H new ATOM 0 HA ARG A 114 7.276 7.043 8.571 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.071 5.439 7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.413 4.542 8.006 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.210 6.698 9.701 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.253 5.253 9.443 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.592 4.973 11.458 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.155 3.852 10.234 1.00 0.00 H new ATOM 0 HE ARG A 114 7.677 6.285 10.063 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.202 3.431 12.089 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.851 3.466 12.724 1.00 0.00 H new ATOM 0 HH21 ARG A 114 9.791 6.322 10.885 1.00 0.00 H new ATOM 0 HH22 ARG A 114 10.309 5.094 12.045 1.00 0.00 H new ATOM 1726 N CYS A 115 8.068 6.601 5.587 1.00 0.00 N ATOM 1727 CA CYS A 115 9.096 6.141 4.663 1.00 0.00 C ATOM 1728 C CYS A 115 10.135 7.218 4.380 1.00 0.00 C ATOM 1729 O CYS A 115 11.337 6.948 4.405 1.00 0.00 O ATOM 1730 CB CYS A 115 8.463 5.685 3.353 1.00 0.00 C ATOM 1731 SG CYS A 115 9.625 4.842 2.236 1.00 0.00 S ATOM 0 H CYS A 115 7.471 7.344 5.224 1.00 0.00 H new ATOM 0 HA CYS A 115 9.604 5.302 5.139 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.634 5.013 3.575 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.044 6.551 2.841 1.00 0.00 H new ATOM 1736 N LYS A 116 9.674 8.432 4.095 1.00 0.00 N ATOM 1737 CA LYS A 116 10.572 9.540 3.791 1.00 0.00 C ATOM 1738 C LYS A 116 11.637 9.707 4.870 1.00 0.00 C ATOM 1739 O LYS A 116 11.396 10.333 5.902 1.00 0.00 O ATOM 1740 CB LYS A 116 9.777 10.839 3.641 1.00 0.00 C ATOM 1741 CG LYS A 116 10.516 11.918 2.866 1.00 0.00 C ATOM 1742 CD LYS A 116 10.976 13.042 3.780 1.00 0.00 C ATOM 1743 CE LYS A 116 12.320 13.602 3.342 1.00 0.00 C ATOM 1744 NZ LYS A 116 12.454 15.047 3.672 1.00 0.00 N ATOM 0 H LYS A 116 8.683 8.673 4.068 1.00 0.00 H new ATOM 0 HA LYS A 116 11.074 9.312 2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.835 10.623 3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.529 11.220 4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.378 11.481 2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.865 12.321 2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.232 13.839 3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.050 12.673 4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 116 13.121 13.043 3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.438 13.463 2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.384 15.390 3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.705 15.584 3.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.367 15.178 4.700 1.00 0.00 H new ATOM 1758 N GLY A 117 12.817 9.147 4.620 1.00 0.00 N ATOM 1759 CA GLY A 117 13.902 9.255 5.577 1.00 0.00 C ATOM 1760 C GLY A 117 14.436 7.907 6.025 1.00 0.00 C ATOM 1761 O GLY A 117 15.205 7.832 6.983 1.00 0.00 O ATOM 0 H GLY A 117 13.040 8.622 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.714 9.832 5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.556 9.810 6.449 1.00 0.00 H new ATOM 1765 N THR A 118 14.034 6.838 5.340 1.00 0.00 N ATOM 1766 CA THR A 118 14.490 5.496 5.689 1.00 0.00 C ATOM 1767 C THR A 118 15.316 4.890 4.556 1.00 0.00 C ATOM 1768 O THR A 118 15.978 5.610 3.808 1.00 0.00 O ATOM 1769 CB THR A 118 13.301 4.568 6.006 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.480 4.407 4.843 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.466 5.129 7.148 1.00 0.00 C ATOM 0 H THR A 118 13.397 6.875 4.544 1.00 0.00 H new ATOM 0 HA THR A 118 15.113 5.587 6.579 1.00 0.00 H new ATOM 0 HB THR A 118 13.697 3.598 6.308 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.057 5.263 4.620 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.633 4.457 7.354 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.086 5.222 8.040 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.081 6.110 6.869 1.00 0.00 H new ATOM 1779 N ASP A 119 15.280 3.563 4.433 1.00 0.00 N ATOM 1780 CA ASP A 119 16.032 2.876 3.390 1.00 0.00 C ATOM 1781 C ASP A 119 15.192 1.810 2.693 1.00 0.00 C ATOM 1782 O ASP A 119 14.967 0.727 3.234 1.00 0.00 O ATOM 1783 CB ASP A 119 17.278 2.250 3.966 1.00 0.00 C ATOM 1784 CG ASP A 119 18.412 2.178 2.963 1.00 0.00 C ATOM 1785 OD1 ASP A 119 19.015 3.233 2.671 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.697 1.068 2.467 1.00 0.00 O ATOM 0 H ASP A 119 14.740 2.947 5.041 1.00 0.00 H new ATOM 0 HA ASP A 119 16.311 3.622 2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.601 2.825 4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.046 1.245 4.319 1.00 0.00 H new ATOM 1791 N VAL A 120 14.736 2.130 1.488 1.00 0.00 N ATOM 1792 CA VAL A 120 13.926 1.214 0.698 1.00 0.00 C ATOM 1793 C VAL A 120 14.790 0.117 0.093 1.00 0.00 C ATOM 1794 O VAL A 120 14.340 -1.015 -0.083 1.00 0.00 O ATOM 1795 CB VAL A 120 13.180 1.953 -0.430 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.204 2.965 0.149 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.165 2.630 -1.371 1.00 0.00 C ATOM 0 H VAL A 120 14.916 3.026 1.034 1.00 0.00 H new ATOM 0 HA VAL A 120 13.192 0.769 1.371 1.00 0.00 H new ATOM 0 HB VAL A 120 12.612 1.221 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.687 3.477 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.476 2.451 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.749 3.694 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.618 3.146 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.764 3.350 -0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.819 1.879 -1.814 1.00 0.00 H new ATOM 1807 N GLN A 121 16.039 0.458 -0.211 1.00 0.00 N ATOM 1808 CA GLN A 121 16.971 -0.506 -0.779 1.00 0.00 C ATOM 1809 C GLN A 121 17.134 -1.677 0.177 1.00 0.00 C ATOM 1810 O GLN A 121 17.469 -2.791 -0.228 1.00 0.00 O ATOM 1811 CB GLN A 121 18.327 0.150 -1.046 1.00 0.00 C ATOM 1812 CG GLN A 121 18.886 -0.149 -2.426 1.00 0.00 C ATOM 1813 CD GLN A 121 19.826 0.932 -2.923 1.00 0.00 C ATOM 1814 OE1 GLN A 121 19.502 1.674 -3.850 1.00 0.00 O ATOM 1815 NE2 GLN A 121 20.998 1.027 -2.305 1.00 0.00 N ATOM 0 H GLN A 121 16.426 1.392 -0.074 1.00 0.00 H new ATOM 0 HA GLN A 121 16.574 -0.866 -1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.228 1.229 -0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 121 19.039 -0.188 -0.294 1.00 0.00 H new ATOM 0 HG2 GLN A 121 19.415 -1.102 -2.401 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.062 -0.261 -3.131 1.00 0.00 H new ATOM 0 HE21 GLN A 121 21.225 0.391 -1.541 1.00 0.00 H new ATOM 0 HE22 GLN A 121 21.671 1.736 -2.595 1.00 0.00 H new ATOM 1824 N ALA A 122 16.875 -1.410 1.454 1.00 0.00 N ATOM 1825 CA ALA A 122 16.968 -2.428 2.488 1.00 0.00 C ATOM 1826 C ALA A 122 15.630 -3.135 2.662 1.00 0.00 C ATOM 1827 O ALA A 122 15.570 -4.252 3.176 1.00 0.00 O ATOM 1828 CB ALA A 122 17.418 -1.809 3.802 1.00 0.00 C ATOM 0 H ALA A 122 16.598 -0.490 1.796 1.00 0.00 H new ATOM 0 HA ALA A 122 17.710 -3.166 2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.483 -2.584 4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.396 -1.347 3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.698 -1.052 4.113 1.00 0.00 H new ATOM 1834 N TRP A 123 14.554 -2.478 2.224 1.00 0.00 N ATOM 1835 CA TRP A 123 13.216 -3.057 2.329 1.00 0.00 C ATOM 1836 C TRP A 123 13.105 -4.336 1.502 1.00 0.00 C ATOM 1837 O TRP A 123 12.202 -5.145 1.712 1.00 0.00 O ATOM 1838 CB TRP A 123 12.158 -2.052 1.871 1.00 0.00 C ATOM 1839 CG TRP A 123 11.630 -1.187 2.977 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.460 0.166 2.947 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.199 -1.614 4.277 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.955 0.603 4.147 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.788 -0.475 4.976 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.122 -2.849 4.919 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.310 -0.541 6.277 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.648 -2.913 6.210 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.246 -1.762 6.878 1.00 0.00 C ATOM 0 H TRP A 123 14.583 -1.552 1.797 1.00 0.00 H new ATOM 0 HA TRP A 123 13.043 -3.304 3.376 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.585 -1.415 1.096 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.328 -2.593 1.417 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.689 0.800 2.103 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.739 1.572 4.383 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.432 -3.748 4.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.997 0.351 6.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.588 -3.869 6.710 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.877 -1.837 7.890 1.00 0.00 H new ATOM 1858 N ILE A 124 14.030 -4.512 0.562 1.00 0.00 N ATOM 1859 CA ILE A 124 14.034 -5.693 -0.296 1.00 0.00 C ATOM 1860 C ILE A 124 15.257 -6.565 -0.036 1.00 0.00 C ATOM 1861 O ILE A 124 15.636 -7.384 -0.874 1.00 0.00 O ATOM 1862 CB ILE A 124 13.995 -5.307 -1.785 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.979 -4.171 -2.071 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.582 -4.912 -2.194 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.899 -4.446 -3.241 1.00 0.00 C ATOM 0 H ILE A 124 14.785 -3.853 0.375 1.00 0.00 H new ATOM 0 HA ILE A 124 13.135 -6.259 -0.053 1.00 0.00 H new ATOM 0 HB ILE A 124 14.294 -6.173 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 124 14.419 -3.257 -2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.581 -3.991 -1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 124 12.571 -4.642 -3.250 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.907 -5.751 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 124 12.255 -4.060 -1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 124 16.568 -3.598 -3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 124 16.486 -5.342 -3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 124 15.306 -4.597 -4.143 1.00 0.00 H new ATOM 1877 N ARG A 125 15.868 -6.390 1.133 1.00 0.00 N ATOM 1878 CA ARG A 125 17.044 -7.169 1.503 1.00 0.00 C ATOM 1879 C ARG A 125 16.665 -8.628 1.743 1.00 0.00 C ATOM 1880 O ARG A 125 16.398 -9.034 2.874 1.00 0.00 O ATOM 1881 CB ARG A 125 17.697 -6.585 2.758 1.00 0.00 C ATOM 1882 CG ARG A 125 19.155 -6.979 2.925 1.00 0.00 C ATOM 1883 CD ARG A 125 19.776 -6.314 4.142 1.00 0.00 C ATOM 1884 NE ARG A 125 20.327 -7.292 5.078 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.490 -7.910 4.899 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.222 -7.656 3.823 1.00 0.00 N ATOM 1887 NH2 ARG A 125 21.922 -8.786 5.796 1.00 0.00 N ATOM 0 H ARG A 125 15.568 -5.717 1.838 1.00 0.00 H new ATOM 0 HA ARG A 125 17.758 -7.123 0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.625 -5.498 2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.138 -6.913 3.634 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.231 -8.062 3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.713 -6.699 2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.566 -5.635 3.821 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.023 -5.711 4.649 1.00 0.00 H new ATOM 0 HE ARG A 125 19.789 -7.513 5.916 1.00 0.00 H new ATOM 0 HH11 ARG A 125 21.893 -6.984 3.129 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.114 -8.132 3.689 1.00 0.00 H new ATOM 0 HH21 ARG A 125 21.362 -8.986 6.624 1.00 0.00 H new ATOM 0 HH22 ARG A 125 22.815 -9.260 5.657 1.00 0.00 H new ATOM 1901 N GLY A 126 16.635 -9.406 0.667 1.00 0.00 N ATOM 1902 CA GLY A 126 16.278 -10.808 0.770 1.00 0.00 C ATOM 1903 C GLY A 126 15.103 -11.162 -0.119 1.00 0.00 C ATOM 1904 O GLY A 126 14.302 -12.037 0.212 1.00 0.00 O ATOM 0 H GLY A 126 16.852 -9.089 -0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 126 17.137 -11.422 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.033 -11.045 1.805 1.00 0.00 H new ATOM 1908 N CYS A 127 15.003 -10.474 -1.251 1.00 0.00 N ATOM 1909 CA CYS A 127 13.923 -10.707 -2.199 1.00 0.00 C ATOM 1910 C CYS A 127 14.199 -11.920 -3.080 1.00 0.00 C ATOM 1911 O CYS A 127 15.250 -12.013 -3.714 1.00 0.00 O ATOM 1912 CB CYS A 127 13.707 -9.477 -3.057 1.00 0.00 C ATOM 1913 SG CYS A 127 12.490 -8.301 -2.384 1.00 0.00 S ATOM 0 H CYS A 127 15.661 -9.748 -1.534 1.00 0.00 H new ATOM 0 HA CYS A 127 13.018 -10.911 -1.627 1.00 0.00 H new ATOM 0 HB2 CYS A 127 14.660 -8.964 -3.183 1.00 0.00 H new ATOM 0 HB3 CYS A 127 13.381 -9.792 -4.048 1.00 0.00 H new ATOM 1918 N ARG A 128 13.247 -12.846 -3.113 1.00 0.00 N ATOM 1919 CA ARG A 128 13.382 -14.055 -3.917 1.00 0.00 C ATOM 1920 C ARG A 128 12.708 -13.879 -5.274 1.00 0.00 C ATOM 1921 O ARG A 128 11.601 -14.369 -5.499 1.00 0.00 O ATOM 1922 CB ARG A 128 12.775 -15.252 -3.181 1.00 0.00 C ATOM 1923 CG ARG A 128 13.812 -16.162 -2.543 1.00 0.00 C ATOM 1924 CD ARG A 128 13.168 -17.157 -1.591 1.00 0.00 C ATOM 1925 NE ARG A 128 12.594 -16.501 -0.419 1.00 0.00 N ATOM 1926 CZ ARG A 128 11.310 -16.577 -0.087 1.00 0.00 C ATOM 1927 NH1 ARG A 128 10.467 -17.278 -0.835 1.00 0.00 N ATOM 1928 NH2 ARG A 128 10.865 -15.952 0.994 1.00 0.00 N ATOM 0 H ARG A 128 12.373 -12.782 -2.592 1.00 0.00 H new ATOM 0 HA ARG A 128 14.444 -14.240 -4.080 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.098 -14.888 -2.408 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.175 -15.833 -3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.354 -16.699 -3.321 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.543 -15.560 -2.003 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.388 -17.708 -2.116 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.912 -17.886 -1.270 1.00 0.00 H new ATOM 0 HE ARG A 128 13.214 -15.954 0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 128 10.804 -17.761 -1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 128 9.482 -17.334 -0.577 1.00 0.00 H new ATOM 0 HH21 ARG A 128 11.509 -15.412 1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 128 9.879 -16.011 1.248 1.00 0.00 H new ATOM 1942 N LEU A 129 13.386 -13.177 -6.176 1.00 0.00 N ATOM 1943 CA LEU A 129 12.857 -12.935 -7.514 1.00 0.00 C ATOM 1944 C LEU A 129 13.988 -12.768 -8.524 1.00 0.00 C ATOM 1945 O LEU A 129 15.155 -12.657 -8.092 1.00 0.00 O ATOM 1946 CB LEU A 129 11.968 -11.690 -7.516 1.00 0.00 C ATOM 1947 CG LEU A 129 12.591 -10.448 -6.876 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.056 -9.472 -7.945 1.00 0.00 C ATOM 1949 CD2 LEU A 129 11.598 -9.780 -5.937 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.698 -12.751 -9.738 1.00 0.00 O ATOM 0 H LEU A 129 14.303 -12.765 -6.005 1.00 0.00 H new ATOM 0 HA LEU A 129 12.260 -13.800 -7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.702 -11.454 -8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.041 -11.923 -6.992 1.00 0.00 H new ATOM 0 HG LEU A 129 13.460 -10.758 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.496 -8.595 -7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.801 -9.954 -8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 129 12.205 -9.166 -8.554 1.00 0.00 H new ATOM 0 HD21 LEU A 129 12.057 -8.898 -5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.711 -9.483 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 129 11.314 -10.479 -5.151 1.00 0.00 H new