USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 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 41 SER OG : rot 88:sc= 0.0643 USER MOD Set 1.2: A 85 TYR OH : rot 165:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.09) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.864 K(o=0.86,f=-0.45) USER MOD Single : A 50 SER OG : rot 77:sc= 0.759 USER MOD Single : A 51 HIS : no HD1:sc= 0.967 K(o=0.97,f=-5.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0829 X(o=-0.083,f=-0.083) USER MOD Single : A 61 GLN : amide:sc= 0.881 K(o=0.88,f=-5.8!) USER MOD Single : A 64 TYR OH : rot 60:sc= -0.248 USER MOD Single : A 66 SER OG : rot 66:sc= 0.14 USER MOD Single : A 68 THR OG1 : rot -161:sc= 0.562 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.32! C(o=-1.3!,f=-10!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.279 USER MOD Single : A 88 SER OG : rot 81:sc= 1.23 USER MOD Single : A 105 CYS SG : rot 75:sc= -1.43! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 35 3.034 -7.950 -0.315 1.00 0.00 N ATOM 45 CA LEU A 35 3.514 -9.338 -0.331 1.00 0.00 C ATOM 46 C LEU A 35 2.431 -10.186 -0.995 1.00 0.00 C ATOM 47 O LEU A 35 1.272 -9.788 -0.988 1.00 0.00 O ATOM 48 CB LEU A 35 3.803 -9.844 1.101 1.00 0.00 C ATOM 49 CG LEU A 35 5.186 -9.449 1.665 1.00 0.00 C ATOM 50 CD1 LEU A 35 5.370 -7.937 1.838 1.00 0.00 C ATOM 51 CD2 LEU A 35 5.383 -10.128 3.027 1.00 0.00 C ATOM 0 HA LEU A 35 4.450 -9.407 -0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.032 -9.460 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.720 -10.931 1.110 1.00 0.00 H new ATOM 0 HG LEU A 35 5.927 -9.779 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.364 -7.735 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.260 -7.444 0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.617 -7.555 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.357 -9.854 3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.600 -9.803 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.332 -11.210 2.905 1.00 0.00 H new ATOM 63 N GLU A 36 2.764 -11.366 -1.528 1.00 0.00 N ATOM 64 CA GLU A 36 1.830 -12.127 -2.368 1.00 0.00 C ATOM 65 C GLU A 36 0.539 -12.460 -1.626 1.00 0.00 C ATOM 66 O GLU A 36 -0.550 -12.225 -2.143 1.00 0.00 O ATOM 67 CB GLU A 36 2.529 -13.390 -2.902 1.00 0.00 C ATOM 68 CG GLU A 36 1.629 -14.231 -3.818 1.00 0.00 C ATOM 69 CD GLU A 36 2.415 -15.401 -4.444 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.997 -15.228 -5.542 1.00 0.00 O ATOM 71 OE2 GLU A 36 2.451 -16.502 -3.841 1.00 0.00 O ATOM 0 H GLU A 36 3.670 -11.815 -1.394 1.00 0.00 H new ATOM 0 HA GLU A 36 1.539 -11.506 -3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.425 -13.099 -3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.855 -14.002 -2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.785 -14.619 -3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.218 -13.601 -4.607 1.00 0.00 H new ATOM 78 N ALA A 37 0.655 -12.962 -0.397 1.00 0.00 N ATOM 79 CA ALA A 37 -0.527 -13.382 0.352 1.00 0.00 C ATOM 80 C ALA A 37 -1.275 -12.150 0.868 1.00 0.00 C ATOM 81 O ALA A 37 -2.503 -12.095 0.818 1.00 0.00 O ATOM 82 CB ALA A 37 -0.152 -14.330 1.491 1.00 0.00 C ATOM 0 H ALA A 37 1.540 -13.086 0.094 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.189 -13.935 -0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.052 -14.625 2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.333 -15.216 1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.531 -13.825 2.174 1.00 0.00 H new ATOM 88 N ASP A 38 -0.526 -11.139 1.324 1.00 0.00 N ATOM 89 CA ASP A 38 -1.083 -9.882 1.822 1.00 0.00 C ATOM 90 C ASP A 38 -1.904 -9.186 0.733 1.00 0.00 C ATOM 91 O ASP A 38 -3.011 -8.719 0.997 1.00 0.00 O ATOM 92 CB ASP A 38 0.060 -8.980 2.303 1.00 0.00 C ATOM 93 CG ASP A 38 -0.455 -7.697 2.964 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.224 -7.786 3.951 1.00 0.00 O ATOM 95 OD2 ASP A 38 -0.088 -6.589 2.504 1.00 0.00 O ATOM 0 H ASP A 38 0.493 -11.174 1.357 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.751 -10.089 2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.680 -9.529 3.012 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.697 -8.721 1.457 1.00 0.00 H new ATOM 100 N LEU A 39 -1.397 -9.198 -0.505 1.00 0.00 N ATOM 101 CA LEU A 39 -2.038 -8.626 -1.678 1.00 0.00 C ATOM 102 C LEU A 39 -3.396 -9.265 -1.878 1.00 0.00 C ATOM 103 O LEU A 39 -4.410 -8.567 -1.916 1.00 0.00 O ATOM 104 CB LEU A 39 -1.157 -8.838 -2.933 1.00 0.00 C ATOM 105 CG LEU A 39 -1.721 -8.193 -4.220 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.575 -7.685 -5.100 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.578 -9.144 -5.070 1.00 0.00 C ATOM 0 H LEU A 39 -0.495 -9.624 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.165 -7.554 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.165 -8.429 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.034 -9.908 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.362 -7.380 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.983 -7.233 -6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.003 -6.941 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.072 -8.519 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.937 -8.618 -5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.977 -10.000 -5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.429 -9.489 -4.483 1.00 0.00 H new ATOM 119 N VAL A 40 -3.408 -10.584 -2.023 1.00 0.00 N ATOM 120 CA VAL A 40 -4.617 -11.257 -2.442 1.00 0.00 C ATOM 121 C VAL A 40 -5.664 -11.183 -1.335 1.00 0.00 C ATOM 122 O VAL A 40 -6.819 -10.908 -1.641 1.00 0.00 O ATOM 123 CB VAL A 40 -4.302 -12.669 -2.960 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.290 -12.588 -4.120 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.760 -13.614 -1.883 1.00 0.00 C ATOM 0 H VAL A 40 -2.607 -11.194 -1.859 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.064 -10.747 -3.296 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.250 -13.086 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.071 -13.592 -4.483 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.712 -11.994 -4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.370 -12.121 -3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.561 -14.591 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.836 -13.206 -1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.496 -13.718 -1.086 1.00 0.00 H new ATOM 135 N SER A 41 -5.273 -11.292 -0.063 1.00 0.00 N ATOM 136 CA SER A 41 -6.199 -11.173 1.057 1.00 0.00 C ATOM 137 C SER A 41 -6.761 -9.750 1.195 1.00 0.00 C ATOM 138 O SER A 41 -7.958 -9.598 1.421 1.00 0.00 O ATOM 139 CB SER A 41 -5.504 -11.648 2.337 1.00 0.00 C ATOM 140 OG SER A 41 -5.169 -13.022 2.198 1.00 0.00 O ATOM 0 H SER A 41 -4.307 -11.465 0.215 1.00 0.00 H new ATOM 0 HA SER A 41 -7.062 -11.811 0.869 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.606 -11.058 2.519 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.159 -11.505 3.196 1.00 0.00 H new ATOM 0 HG SER A 41 -4.285 -13.103 1.783 1.00 0.00 H new ATOM 146 N LYS A 42 -5.961 -8.695 1.003 1.00 0.00 N ATOM 147 CA LYS A 42 -6.482 -7.320 1.026 1.00 0.00 C ATOM 148 C LYS A 42 -7.428 -7.080 -0.144 1.00 0.00 C ATOM 149 O LYS A 42 -8.495 -6.500 0.041 1.00 0.00 O ATOM 150 CB LYS A 42 -5.326 -6.308 0.994 1.00 0.00 C ATOM 151 CG LYS A 42 -4.719 -6.139 2.393 1.00 0.00 C ATOM 152 CD LYS A 42 -3.426 -5.325 2.314 1.00 0.00 C ATOM 153 CE LYS A 42 -2.901 -4.955 3.702 1.00 0.00 C ATOM 154 NZ LYS A 42 -1.501 -4.468 3.640 1.00 0.00 N ATOM 0 H LYS A 42 -4.958 -8.764 0.831 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.041 -7.183 1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.559 -6.646 0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.687 -5.346 0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.432 -5.639 3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.515 -7.117 2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.668 -5.898 1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.603 -4.416 1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.536 -4.185 4.139 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.957 -5.824 4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.158 -4.274 4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.900 -5.193 3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.462 -3.595 3.076 1.00 0.00 H new ATOM 168 N MET A 43 -7.074 -7.541 -1.339 1.00 0.00 N ATOM 169 CA MET A 43 -7.912 -7.352 -2.516 1.00 0.00 C ATOM 170 C MET A 43 -9.227 -8.127 -2.344 1.00 0.00 C ATOM 171 O MET A 43 -10.299 -7.559 -2.527 1.00 0.00 O ATOM 172 CB MET A 43 -7.136 -7.779 -3.770 1.00 0.00 C ATOM 173 CG MET A 43 -5.881 -6.923 -4.022 1.00 0.00 C ATOM 174 SD MET A 43 -6.009 -5.740 -5.389 1.00 0.00 S ATOM 175 CE MET A 43 -4.300 -5.139 -5.467 1.00 0.00 C ATOM 0 H MET A 43 -6.208 -8.050 -1.517 1.00 0.00 H new ATOM 0 HA MET A 43 -8.171 -6.300 -2.635 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.842 -8.824 -3.670 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.793 -7.714 -4.637 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.647 -6.374 -3.110 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.041 -7.589 -4.218 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.210 -4.399 -6.263 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.031 -4.682 -4.515 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.630 -5.974 -5.671 1.00 0.00 H new ATOM 185 N LEU A 44 -9.159 -9.383 -1.887 1.00 0.00 N ATOM 186 CA LEU A 44 -10.299 -10.216 -1.504 1.00 0.00 C ATOM 187 C LEU A 44 -11.221 -9.444 -0.568 1.00 0.00 C ATOM 188 O LEU A 44 -12.392 -9.234 -0.878 1.00 0.00 O ATOM 189 CB LEU A 44 -9.761 -11.499 -0.824 1.00 0.00 C ATOM 190 CG LEU A 44 -10.817 -12.342 -0.096 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.785 -12.943 -1.108 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.157 -13.455 0.711 1.00 0.00 C ATOM 0 H LEU A 44 -8.268 -9.865 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.879 -10.491 -2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.282 -12.120 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.988 -11.216 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.364 -11.695 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.533 -13.540 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.280 -12.143 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.236 -13.577 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.924 -14.040 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.590 -14.102 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.485 -13.019 1.450 1.00 0.00 H new ATOM 204 N ARG A 45 -10.679 -8.995 0.568 1.00 0.00 N ATOM 205 CA ARG A 45 -11.380 -8.184 1.563 1.00 0.00 C ATOM 206 C ARG A 45 -12.091 -7.036 0.869 1.00 0.00 C ATOM 207 O ARG A 45 -13.287 -6.873 1.077 1.00 0.00 O ATOM 208 CB ARG A 45 -10.341 -7.737 2.612 1.00 0.00 C ATOM 209 CG ARG A 45 -10.723 -6.537 3.511 1.00 0.00 C ATOM 210 CD ARG A 45 -9.582 -5.512 3.618 1.00 0.00 C ATOM 211 NE ARG A 45 -8.493 -5.983 4.500 1.00 0.00 N ATOM 212 CZ ARG A 45 -7.623 -5.198 5.162 1.00 0.00 C ATOM 213 NH1 ARG A 45 -7.657 -3.878 5.021 1.00 0.00 N ATOM 214 NH2 ARG A 45 -6.714 -5.746 5.961 1.00 0.00 N ATOM 0 H ARG A 45 -9.712 -9.193 0.826 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.158 -8.743 2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.123 -8.588 3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.417 -7.488 2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.611 -6.050 3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.981 -6.898 4.507 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.182 -5.310 2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.976 -4.570 4.000 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.392 -6.991 4.617 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.348 -3.448 4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.992 -3.294 5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.677 -6.759 6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.053 -5.153 6.464 1.00 0.00 H new ATOM 228 N ALA A 46 -11.390 -6.256 0.054 1.00 0.00 N ATOM 229 CA ALA A 46 -11.960 -5.039 -0.494 1.00 0.00 C ATOM 230 C ALA A 46 -13.137 -5.332 -1.423 1.00 0.00 C ATOM 231 O ALA A 46 -14.153 -4.640 -1.347 1.00 0.00 O ATOM 232 CB ALA A 46 -10.863 -4.238 -1.194 1.00 0.00 C ATOM 0 H ALA A 46 -10.432 -6.446 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.363 -4.439 0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.288 -3.323 -1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.083 -3.984 -0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.434 -4.835 -1.999 1.00 0.00 H new ATOM 238 N VAL A 47 -13.053 -6.378 -2.248 1.00 0.00 N ATOM 239 CA VAL A 47 -14.178 -6.764 -3.097 1.00 0.00 C ATOM 240 C VAL A 47 -15.364 -7.160 -2.217 1.00 0.00 C ATOM 241 O VAL A 47 -16.482 -6.709 -2.447 1.00 0.00 O ATOM 242 CB VAL A 47 -13.753 -7.886 -4.065 1.00 0.00 C ATOM 243 CG1 VAL A 47 -14.921 -8.392 -4.917 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.673 -7.365 -5.023 1.00 0.00 C ATOM 0 H VAL A 47 -12.226 -6.967 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.493 -5.922 -3.713 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.381 -8.706 -3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.571 -9.181 -5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.702 -8.786 -4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.322 -7.570 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.376 -8.162 -5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.069 -6.526 -5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.806 -7.036 -4.450 1.00 0.00 H new ATOM 254 N LEU A 48 -15.133 -7.950 -1.168 1.00 0.00 N ATOM 255 CA LEU A 48 -16.212 -8.416 -0.298 1.00 0.00 C ATOM 256 C LEU A 48 -16.861 -7.243 0.439 1.00 0.00 C ATOM 257 O LEU A 48 -18.081 -7.217 0.582 1.00 0.00 O ATOM 258 CB LEU A 48 -15.651 -9.399 0.734 1.00 0.00 C ATOM 259 CG LEU A 48 -15.121 -10.700 0.118 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.172 -11.320 1.131 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.254 -11.682 -0.176 1.00 0.00 C ATOM 0 H LEU A 48 -14.206 -8.281 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.963 -8.906 -0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.846 -8.914 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.432 -9.640 1.456 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.622 -10.482 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.771 -12.251 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.353 -10.629 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.711 -11.525 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.842 -12.592 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.774 -11.926 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.955 -11.229 -0.877 1.00 0.00 H new ATOM 273 N GLN A 49 -16.064 -6.277 0.910 1.00 0.00 N ATOM 274 CA GLN A 49 -16.566 -5.095 1.597 1.00 0.00 C ATOM 275 C GLN A 49 -17.419 -4.243 0.647 1.00 0.00 C ATOM 276 O GLN A 49 -18.417 -3.665 1.078 1.00 0.00 O ATOM 277 CB GLN A 49 -15.393 -4.267 2.155 1.00 0.00 C ATOM 278 CG GLN A 49 -14.653 -4.938 3.330 1.00 0.00 C ATOM 279 CD GLN A 49 -15.390 -4.908 4.675 1.00 0.00 C ATOM 280 OE1 GLN A 49 -16.497 -4.389 4.813 1.00 0.00 O ATOM 281 NE2 GLN A 49 -14.773 -5.480 5.697 1.00 0.00 N ATOM 0 H GLN A 49 -15.048 -6.299 0.822 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.194 -5.416 2.428 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.681 -4.078 1.352 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.769 -3.298 2.482 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.455 -5.977 3.067 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.686 -4.451 3.454 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.855 -5.906 5.565 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.215 -5.495 6.616 1.00 0.00 H new ATOM 290 N SER A 50 -17.057 -4.189 -0.639 1.00 0.00 N ATOM 291 CA SER A 50 -17.846 -3.509 -1.665 1.00 0.00 C ATOM 292 C SER A 50 -19.149 -4.263 -1.977 1.00 0.00 C ATOM 293 O SER A 50 -20.164 -3.639 -2.295 1.00 0.00 O ATOM 294 CB SER A 50 -17.006 -3.368 -2.943 1.00 0.00 C ATOM 295 OG SER A 50 -15.786 -2.672 -2.690 1.00 0.00 O ATOM 0 H SER A 50 -16.204 -4.619 -0.997 1.00 0.00 H new ATOM 0 HA SER A 50 -18.119 -2.524 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.786 -4.356 -3.346 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.580 -2.835 -3.701 1.00 0.00 H new ATOM 0 HG SER A 50 -15.154 -3.272 -2.242 1.00 0.00 H new ATOM 301 N HIS A 51 -19.151 -5.591 -1.826 1.00 0.00 N ATOM 302 CA HIS A 51 -20.219 -6.474 -2.287 1.00 0.00 C ATOM 303 C HIS A 51 -20.922 -7.128 -1.092 1.00 0.00 C ATOM 304 O HIS A 51 -20.899 -8.348 -0.932 1.00 0.00 O ATOM 305 CB HIS A 51 -19.646 -7.499 -3.279 1.00 0.00 C ATOM 306 CG HIS A 51 -19.107 -6.925 -4.576 1.00 0.00 C ATOM 307 ND1 HIS A 51 -18.860 -5.579 -4.882 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.778 -7.678 -5.663 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.383 -5.567 -6.139 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.335 -6.812 -6.636 1.00 0.00 N ATOM 0 H HIS A 51 -18.389 -6.091 -1.368 1.00 0.00 H new ATOM 0 HA HIS A 51 -20.979 -5.899 -2.816 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.844 -8.048 -2.785 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.426 -8.221 -3.519 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.851 -8.752 -5.745 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.081 -4.679 -6.674 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -18.024 -7.071 -7.572 1.00 0.00 H new ATOM 318 N LYS A 52 -21.568 -6.323 -0.236 1.00 0.00 N ATOM 319 CA LYS A 52 -22.232 -6.805 0.988 1.00 0.00 C ATOM 320 C LYS A 52 -23.376 -7.792 0.725 1.00 0.00 C ATOM 321 O LYS A 52 -23.718 -8.562 1.621 1.00 0.00 O ATOM 322 CB LYS A 52 -22.748 -5.618 1.830 1.00 0.00 C ATOM 323 CG LYS A 52 -21.640 -4.781 2.491 1.00 0.00 C ATOM 324 CD LYS A 52 -20.820 -5.587 3.519 1.00 0.00 C ATOM 325 CE LYS A 52 -19.823 -4.704 4.294 1.00 0.00 C ATOM 326 NZ LYS A 52 -20.482 -3.778 5.258 1.00 0.00 N ATOM 0 H LYS A 52 -21.646 -5.315 -0.372 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.469 -7.353 1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.346 -4.968 1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.411 -6.000 2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -20.972 -4.396 1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.087 -3.918 2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.498 -6.070 4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.276 -6.380 3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.125 -5.344 4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.236 -4.121 3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.758 -3.213 5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -21.128 -3.145 4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -21.020 -4.329 5.956 1.00 0.00 H new ATOM 340 N ASN A 53 -23.945 -7.810 -0.489 1.00 0.00 N ATOM 341 CA ASN A 53 -24.917 -8.833 -0.902 1.00 0.00 C ATOM 342 C ASN A 53 -24.306 -10.246 -0.938 1.00 0.00 C ATOM 343 O ASN A 53 -25.041 -11.236 -0.982 1.00 0.00 O ATOM 344 CB ASN A 53 -25.498 -8.455 -2.277 1.00 0.00 C ATOM 345 CG ASN A 53 -26.599 -9.416 -2.729 1.00 0.00 C ATOM 346 OD1 ASN A 53 -26.407 -10.212 -3.644 1.00 0.00 O ATOM 347 ND2 ASN A 53 -27.769 -9.361 -2.108 1.00 0.00 N ATOM 0 H ASN A 53 -23.745 -7.118 -1.211 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.713 -8.861 -0.158 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -25.899 -7.442 -2.233 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.698 -8.449 -3.017 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -28.525 -9.985 -2.389 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -27.913 -8.694 -1.350 1.00 0.00 H new ATOM 354 N GLY A 54 -22.977 -10.356 -0.884 1.00 0.00 N ATOM 355 CA GLY A 54 -22.239 -11.602 -0.975 1.00 0.00 C ATOM 356 C GLY A 54 -21.978 -11.982 -2.426 1.00 0.00 C ATOM 357 O GLY A 54 -22.616 -11.470 -3.350 1.00 0.00 O ATOM 0 H GLY A 54 -22.369 -9.545 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.291 -11.506 -0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.800 -12.397 -0.483 1.00 0.00 H new ATOM 361 N ILE A 55 -21.026 -12.892 -2.626 1.00 0.00 N ATOM 362 CA ILE A 55 -20.601 -13.369 -3.941 1.00 0.00 C ATOM 363 C ILE A 55 -20.337 -14.861 -3.826 1.00 0.00 C ATOM 364 O ILE A 55 -19.572 -15.282 -2.967 1.00 0.00 O ATOM 365 CB ILE A 55 -19.384 -12.548 -4.470 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.390 -12.039 -3.386 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.865 -11.334 -5.277 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.284 -11.103 -3.909 1.00 0.00 C ATOM 0 H ILE A 55 -20.516 -13.329 -1.858 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.380 -13.217 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.836 -13.262 -5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.954 -11.515 -2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.922 -12.901 -2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -19.003 -10.773 -5.638 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.459 -11.673 -6.126 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.475 -10.693 -4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.642 -10.801 -3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.689 -11.626 -4.658 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.737 -10.219 -4.358 1.00 0.00 H new ATOM 380 N VAL A 56 -21.020 -15.662 -4.644 1.00 0.00 N ATOM 381 CA VAL A 56 -20.858 -17.119 -4.702 1.00 0.00 C ATOM 382 C VAL A 56 -19.419 -17.461 -5.094 1.00 0.00 C ATOM 383 O VAL A 56 -18.840 -16.707 -5.860 1.00 0.00 O ATOM 384 CB VAL A 56 -21.902 -17.713 -5.676 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.316 -17.593 -5.102 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.878 -17.068 -7.076 1.00 0.00 C ATOM 0 H VAL A 56 -21.717 -15.310 -5.300 1.00 0.00 H new ATOM 0 HA VAL A 56 -21.037 -17.565 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.625 -18.761 -5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -24.032 -18.018 -5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.372 -18.133 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.552 -16.542 -4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.636 -17.535 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.085 -16.001 -6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.896 -17.211 -7.526 1.00 0.00 H new ATOM 396 N LEU A 57 -18.831 -18.577 -4.643 1.00 0.00 N ATOM 397 CA LEU A 57 -17.399 -18.868 -4.880 1.00 0.00 C ATOM 398 C LEU A 57 -16.856 -18.663 -6.323 1.00 0.00 C ATOM 399 O LEU A 57 -15.753 -18.129 -6.428 1.00 0.00 O ATOM 400 CB LEU A 57 -16.900 -20.181 -4.228 1.00 0.00 C ATOM 401 CG LEU A 57 -17.231 -21.504 -4.958 1.00 0.00 C ATOM 402 CD1 LEU A 57 -16.465 -22.669 -4.318 1.00 0.00 C ATOM 403 CD2 LEU A 57 -18.725 -21.875 -4.958 1.00 0.00 C ATOM 0 H LEU A 57 -19.320 -19.297 -4.111 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.932 -18.049 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.817 -20.115 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.315 -20.237 -3.222 1.00 0.00 H new ATOM 0 HG LEU A 57 -16.932 -21.335 -5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.707 -23.594 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.393 -22.482 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -16.750 -22.760 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -18.866 -22.815 -5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -19.073 -21.984 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -19.295 -21.089 -5.453 1.00 0.00 H new ATOM 415 N PRO A 58 -17.553 -18.964 -7.447 1.00 0.00 N ATOM 416 CA PRO A 58 -17.016 -18.629 -8.775 1.00 0.00 C ATOM 417 C PRO A 58 -17.087 -17.121 -9.055 1.00 0.00 C ATOM 418 O PRO A 58 -16.169 -16.535 -9.627 1.00 0.00 O ATOM 419 CB PRO A 58 -17.857 -19.434 -9.770 1.00 0.00 C ATOM 420 CG PRO A 58 -19.203 -19.589 -9.063 1.00 0.00 C ATOM 421 CD PRO A 58 -18.786 -19.734 -7.602 1.00 0.00 C ATOM 0 HA PRO A 58 -15.958 -18.881 -8.853 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.962 -18.911 -10.721 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.404 -20.402 -9.986 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.847 -18.723 -9.219 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.751 -20.462 -9.418 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.564 -19.359 -6.937 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.625 -20.781 -7.346 1.00 0.00 H new ATOM 429 N ARG A 59 -18.153 -16.458 -8.596 1.00 0.00 N ATOM 430 CA ARG A 59 -18.313 -15.007 -8.701 1.00 0.00 C ATOM 431 C ARG A 59 -17.311 -14.304 -7.788 1.00 0.00 C ATOM 432 O ARG A 59 -16.862 -13.215 -8.124 1.00 0.00 O ATOM 433 CB ARG A 59 -19.772 -14.657 -8.367 1.00 0.00 C ATOM 434 CG ARG A 59 -20.125 -13.193 -8.654 1.00 0.00 C ATOM 435 CD ARG A 59 -21.629 -12.917 -8.503 1.00 0.00 C ATOM 436 NE ARG A 59 -22.419 -13.533 -9.589 1.00 0.00 N ATOM 437 CZ ARG A 59 -23.756 -13.526 -9.697 1.00 0.00 C ATOM 438 NH1 ARG A 59 -24.508 -12.894 -8.797 1.00 0.00 N ATOM 439 NH2 ARG A 59 -24.337 -14.159 -10.713 1.00 0.00 N ATOM 0 H ARG A 59 -18.937 -16.920 -8.136 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.103 -14.661 -9.713 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.434 -15.303 -8.943 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.957 -14.869 -7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.569 -12.547 -7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.810 -12.937 -9.666 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -21.973 -13.301 -7.543 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.801 -11.841 -8.496 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.899 -14.008 -10.326 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -24.068 -12.409 -8.015 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -25.524 -12.896 -8.890 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -23.766 -14.646 -11.404 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -25.353 -14.157 -10.801 1.00 0.00 H new ATOM 453 N LEU A 60 -16.934 -14.926 -6.665 1.00 0.00 N ATOM 454 CA LEU A 60 -15.879 -14.442 -5.793 1.00 0.00 C ATOM 455 C LEU A 60 -14.605 -14.331 -6.621 1.00 0.00 C ATOM 456 O LEU A 60 -14.062 -13.239 -6.699 1.00 0.00 O ATOM 457 CB LEU A 60 -15.718 -15.358 -4.557 1.00 0.00 C ATOM 458 CG LEU A 60 -14.680 -14.934 -3.500 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.242 -15.246 -3.908 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.789 -13.461 -3.125 1.00 0.00 C ATOM 0 H LEU A 60 -17.365 -15.791 -6.339 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.126 -13.458 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.688 -15.437 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.456 -16.356 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.923 -15.537 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.562 -14.922 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.133 -16.319 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.004 -14.719 -4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.034 -13.219 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.631 -12.847 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.780 -13.262 -2.717 1.00 0.00 H new ATOM 472 N GLN A 61 -14.188 -15.418 -7.286 1.00 0.00 N ATOM 473 CA GLN A 61 -13.040 -15.412 -8.198 1.00 0.00 C ATOM 474 C GLN A 61 -13.181 -14.322 -9.265 1.00 0.00 C ATOM 475 O GLN A 61 -12.230 -13.578 -9.494 1.00 0.00 O ATOM 476 CB GLN A 61 -12.874 -16.797 -8.864 1.00 0.00 C ATOM 477 CG GLN A 61 -11.950 -17.754 -8.094 1.00 0.00 C ATOM 478 CD GLN A 61 -10.478 -17.577 -8.500 1.00 0.00 C ATOM 479 OE1 GLN A 61 -9.928 -16.485 -8.423 1.00 0.00 O ATOM 480 NE2 GLN A 61 -9.793 -18.629 -8.938 1.00 0.00 N ATOM 0 H GLN A 61 -14.641 -16.328 -7.205 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.148 -15.193 -7.611 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.856 -17.260 -8.966 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.480 -16.660 -9.871 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.055 -17.578 -7.023 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.257 -18.783 -8.280 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.246 -19.541 -9.004 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.815 -18.524 -9.208 1.00 0.00 H new ATOM 489 N GLY A 62 -14.353 -14.206 -9.900 1.00 0.00 N ATOM 490 CA GLY A 62 -14.575 -13.232 -10.964 1.00 0.00 C ATOM 491 C GLY A 62 -14.354 -11.798 -10.474 1.00 0.00 C ATOM 492 O GLY A 62 -13.544 -11.066 -11.040 1.00 0.00 O ATOM 0 H GLY A 62 -15.167 -14.783 -9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.901 -13.441 -11.795 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.591 -13.334 -11.345 1.00 0.00 H new ATOM 496 N GLU A 63 -15.038 -11.388 -9.403 1.00 0.00 N ATOM 497 CA GLU A 63 -14.969 -10.011 -8.911 1.00 0.00 C ATOM 498 C GLU A 63 -13.603 -9.718 -8.268 1.00 0.00 C ATOM 499 O GLU A 63 -13.040 -8.636 -8.462 1.00 0.00 O ATOM 500 CB GLU A 63 -16.126 -9.751 -7.933 1.00 0.00 C ATOM 501 CG GLU A 63 -17.507 -9.809 -8.606 1.00 0.00 C ATOM 502 CD GLU A 63 -17.674 -8.706 -9.665 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.686 -7.510 -9.289 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.793 -9.030 -10.871 1.00 0.00 O ATOM 0 H GLU A 63 -15.650 -11.995 -8.857 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.073 -9.329 -9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.088 -10.487 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.993 -8.772 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.643 -10.785 -9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.285 -9.707 -7.849 1.00 0.00 H new ATOM 511 N TYR A 64 -13.045 -10.698 -7.543 1.00 0.00 N ATOM 512 CA TYR A 64 -11.671 -10.662 -7.052 1.00 0.00 C ATOM 513 C TYR A 64 -10.747 -10.305 -8.213 1.00 0.00 C ATOM 514 O TYR A 64 -9.987 -9.343 -8.118 1.00 0.00 O ATOM 515 CB TYR A 64 -11.303 -12.017 -6.426 1.00 0.00 C ATOM 516 CG TYR A 64 -9.823 -12.254 -6.248 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.069 -12.770 -7.322 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.196 -11.963 -5.023 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.694 -12.981 -7.177 1.00 0.00 C ATOM 520 CE2 TYR A 64 -7.820 -12.209 -4.866 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.070 -12.728 -5.944 1.00 0.00 C ATOM 522 OH TYR A 64 -5.746 -12.987 -5.815 1.00 0.00 O ATOM 0 H TYR A 64 -13.547 -11.547 -7.281 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.562 -9.905 -6.275 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.788 -12.095 -5.453 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.711 -12.812 -7.050 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.554 -13.003 -8.258 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.769 -11.552 -4.205 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.112 -13.339 -8.013 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.338 -12.001 -3.922 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.243 -12.449 -6.462 1.00 0.00 H new ATOM 532 N ARG A 65 -10.857 -11.044 -9.319 1.00 0.00 N ATOM 533 CA ARG A 65 -9.994 -10.872 -10.469 1.00 0.00 C ATOM 534 C ARG A 65 -10.195 -9.506 -11.099 1.00 0.00 C ATOM 535 O ARG A 65 -9.212 -8.911 -11.541 1.00 0.00 O ATOM 536 CB ARG A 65 -10.219 -12.021 -11.453 1.00 0.00 C ATOM 537 CG ARG A 65 -9.320 -11.843 -12.686 1.00 0.00 C ATOM 538 CD ARG A 65 -9.133 -13.171 -13.402 1.00 0.00 C ATOM 539 NE ARG A 65 -7.988 -13.097 -14.313 1.00 0.00 N ATOM 540 CZ ARG A 65 -8.010 -12.977 -15.648 1.00 0.00 C ATOM 541 NH1 ARG A 65 -9.163 -12.898 -16.308 1.00 0.00 N ATOM 542 NH2 ARG A 65 -6.865 -12.933 -16.326 1.00 0.00 N ATOM 0 H ARG A 65 -11.554 -11.780 -9.434 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.951 -10.908 -10.154 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.001 -12.973 -10.969 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.265 -12.050 -11.757 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.764 -11.116 -13.366 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.351 -11.446 -12.383 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.977 -13.967 -12.673 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -10.035 -13.422 -13.960 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.065 -13.142 -13.881 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.046 -12.928 -15.798 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.164 -12.807 -17.324 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.976 -12.991 -15.830 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.877 -12.842 -17.342 1.00 0.00 H new ATOM 556 N SER A 66 -11.419 -8.976 -11.134 1.00 0.00 N ATOM 557 CA SER A 66 -11.638 -7.625 -11.620 1.00 0.00 C ATOM 558 C SER A 66 -10.821 -6.612 -10.805 1.00 0.00 C ATOM 559 O SER A 66 -10.326 -5.640 -11.387 1.00 0.00 O ATOM 560 CB SER A 66 -13.132 -7.273 -11.600 1.00 0.00 C ATOM 561 OG SER A 66 -13.884 -8.209 -12.366 1.00 0.00 O ATOM 0 H SER A 66 -12.264 -9.462 -10.833 1.00 0.00 H new ATOM 0 HA SER A 66 -11.296 -7.577 -12.654 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.494 -7.264 -10.572 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.279 -6.269 -11.999 1.00 0.00 H new ATOM 0 HG SER A 66 -13.844 -9.090 -11.938 1.00 0.00 H new ATOM 567 N LEU A 67 -10.645 -6.819 -9.489 1.00 0.00 N ATOM 568 CA LEU A 67 -9.805 -5.931 -8.686 1.00 0.00 C ATOM 569 C LEU A 67 -8.302 -6.227 -8.858 1.00 0.00 C ATOM 570 O LEU A 67 -7.537 -5.293 -9.101 1.00 0.00 O ATOM 571 CB LEU A 67 -10.215 -5.973 -7.204 1.00 0.00 C ATOM 572 CG LEU A 67 -9.525 -4.882 -6.353 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.920 -3.458 -6.765 1.00 0.00 C ATOM 574 CD2 LEU A 67 -9.859 -5.057 -4.866 1.00 0.00 C ATOM 0 H LEU A 67 -11.070 -7.586 -8.968 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.969 -4.919 -9.057 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.296 -5.855 -7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.972 -6.953 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.456 -5.008 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.402 -2.739 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.642 -3.290 -7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.997 -3.332 -6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.362 -4.278 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.937 -4.983 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.515 -6.035 -4.528 1.00 0.00 H new ATOM 586 N THR A 68 -7.856 -7.482 -8.722 1.00 0.00 N ATOM 587 CA THR A 68 -6.427 -7.823 -8.688 1.00 0.00 C ATOM 588 C THR A 68 -5.767 -7.853 -10.069 1.00 0.00 C ATOM 589 O THR A 68 -4.593 -7.498 -10.208 1.00 0.00 O ATOM 590 CB THR A 68 -6.250 -9.240 -8.130 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.171 -10.108 -8.760 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.480 -9.304 -6.632 1.00 0.00 C ATOM 0 H THR A 68 -8.474 -8.289 -8.633 1.00 0.00 H new ATOM 0 HA THR A 68 -5.964 -7.048 -8.077 1.00 0.00 H new ATOM 0 HB THR A 68 -5.221 -9.540 -8.329 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.276 -10.920 -8.222 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.343 -10.329 -6.286 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.768 -8.652 -6.126 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.495 -8.978 -6.405 1.00 0.00 H new ATOM 600 N GLY A 69 -6.512 -8.299 -11.086 1.00 0.00 N ATOM 601 CA GLY A 69 -5.971 -8.632 -12.391 1.00 0.00 C ATOM 602 C GLY A 69 -5.325 -10.027 -12.331 1.00 0.00 C ATOM 603 O GLY A 69 -4.457 -10.324 -13.154 1.00 0.00 O ATOM 0 H GLY A 69 -7.520 -8.438 -11.016 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.762 -8.617 -13.140 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.233 -7.889 -12.692 1.00 0.00 H new ATOM 607 N ASP A 70 -5.698 -10.872 -11.356 1.00 0.00 N ATOM 608 CA ASP A 70 -5.105 -12.186 -11.094 1.00 0.00 C ATOM 609 C ASP A 70 -6.193 -13.175 -10.677 1.00 0.00 C ATOM 610 O ASP A 70 -7.315 -12.773 -10.382 1.00 0.00 O ATOM 611 CB ASP A 70 -4.061 -12.083 -9.963 1.00 0.00 C ATOM 612 CG ASP A 70 -3.077 -13.277 -9.914 1.00 0.00 C ATOM 613 OD1 ASP A 70 -3.066 -14.137 -10.833 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.294 -13.349 -8.937 1.00 0.00 O ATOM 0 H ASP A 70 -6.450 -10.646 -10.705 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.620 -12.535 -12.006 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.493 -11.161 -10.087 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.580 -12.012 -9.007 1.00 0.00 H new ATOM 619 N TRP A 71 -5.876 -14.462 -10.630 1.00 0.00 N ATOM 620 CA TRP A 71 -6.721 -15.501 -10.051 1.00 0.00 C ATOM 621 C TRP A 71 -6.266 -15.748 -8.608 1.00 0.00 C ATOM 622 O TRP A 71 -5.100 -15.523 -8.273 1.00 0.00 O ATOM 623 CB TRP A 71 -6.577 -16.791 -10.862 1.00 0.00 C ATOM 624 CG TRP A 71 -7.032 -16.691 -12.286 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.234 -16.738 -13.376 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.385 -16.520 -12.801 1.00 0.00 C ATOM 627 NE1 TRP A 71 -6.997 -16.639 -14.523 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.333 -16.487 -14.228 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.649 -16.338 -12.201 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.480 -16.314 -15.016 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -10.802 -16.132 -12.983 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.723 -16.133 -14.386 1.00 0.00 C ATOM 0 H TRP A 71 -4.999 -14.824 -11.004 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.765 -15.187 -10.067 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.531 -17.096 -10.850 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.145 -17.580 -10.368 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.159 -16.838 -13.353 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.618 -16.674 -15.469 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.734 -16.357 -11.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.409 -16.320 -16.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.755 -15.972 -12.500 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.615 -15.995 -14.979 1.00 0.00 H new ATOM 643 N ILE A 72 -7.171 -16.215 -7.746 1.00 0.00 N ATOM 644 CA ILE A 72 -6.838 -16.565 -6.368 1.00 0.00 C ATOM 645 C ILE A 72 -5.761 -17.656 -6.371 1.00 0.00 C ATOM 646 O ILE A 72 -5.921 -18.667 -7.066 1.00 0.00 O ATOM 647 CB ILE A 72 -8.110 -16.969 -5.593 1.00 0.00 C ATOM 648 CG1 ILE A 72 -8.777 -15.663 -5.132 1.00 0.00 C ATOM 649 CG2 ILE A 72 -7.845 -17.911 -4.404 1.00 0.00 C ATOM 650 CD1 ILE A 72 -10.157 -15.822 -4.516 1.00 0.00 C ATOM 0 H ILE A 72 -8.152 -16.360 -7.984 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.426 -15.701 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.760 -17.546 -6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.126 -15.179 -4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.854 -14.992 -5.987 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.788 -18.149 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.382 -18.830 -4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.177 -17.422 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.540 -14.844 -4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.831 -16.273 -5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -10.091 -16.463 -3.637 1.00 0.00 H new ATOM 662 N PRO A 73 -4.701 -17.505 -5.565 1.00 0.00 N ATOM 663 CA PRO A 73 -3.653 -18.496 -5.427 1.00 0.00 C ATOM 664 C PRO A 73 -4.056 -19.616 -4.444 1.00 0.00 C ATOM 665 O PRO A 73 -3.289 -19.917 -3.542 1.00 0.00 O ATOM 666 CB PRO A 73 -2.416 -17.682 -5.004 1.00 0.00 C ATOM 667 CG PRO A 73 -3.023 -16.598 -4.129 1.00 0.00 C ATOM 668 CD PRO A 73 -4.340 -16.296 -4.835 1.00 0.00 C ATOM 0 HA PRO A 73 -3.449 -19.045 -6.346 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.697 -18.291 -4.456 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.891 -17.264 -5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.181 -16.944 -3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.383 -15.718 -4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.115 -16.031 -4.116 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.232 -15.450 -5.514 1.00 0.00 H new ATOM 676 N PHE A 74 -5.249 -20.223 -4.529 1.00 0.00 N ATOM 677 CA PHE A 74 -5.708 -21.197 -3.524 1.00 0.00 C ATOM 678 C PHE A 74 -4.774 -22.408 -3.473 1.00 0.00 C ATOM 679 O PHE A 74 -4.098 -22.631 -2.472 1.00 0.00 O ATOM 680 CB PHE A 74 -7.183 -21.599 -3.729 1.00 0.00 C ATOM 681 CG PHE A 74 -7.520 -22.338 -5.015 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.684 -21.648 -6.230 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.665 -23.738 -4.987 1.00 0.00 C ATOM 684 CE1 PHE A 74 -7.989 -22.353 -7.406 1.00 0.00 C ATOM 685 CE2 PHE A 74 -7.988 -24.442 -6.160 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.148 -23.750 -7.372 1.00 0.00 C ATOM 0 H PHE A 74 -5.915 -20.057 -5.284 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.665 -20.710 -2.550 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.485 -22.224 -2.889 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.790 -20.695 -3.688 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.575 -20.574 -6.259 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.527 -24.274 -4.059 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.102 -21.821 -8.339 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.113 -25.514 -6.129 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.392 -24.289 -8.275 1.00 0.00 H new ATOM 696 N LYS A 75 -4.658 -23.139 -4.579 1.00 0.00 N ATOM 697 CA LYS A 75 -3.830 -24.335 -4.696 1.00 0.00 C ATOM 698 C LYS A 75 -2.346 -23.985 -4.571 1.00 0.00 C ATOM 699 O LYS A 75 -1.539 -24.793 -4.117 1.00 0.00 O ATOM 700 CB LYS A 75 -4.171 -24.987 -6.048 1.00 0.00 C ATOM 701 CG LYS A 75 -3.639 -26.421 -6.169 1.00 0.00 C ATOM 702 CD LYS A 75 -4.082 -27.057 -7.498 1.00 0.00 C ATOM 703 CE LYS A 75 -3.649 -28.527 -7.640 1.00 0.00 C ATOM 704 NZ LYS A 75 -2.183 -28.694 -7.826 1.00 0.00 N ATOM 0 H LYS A 75 -5.151 -22.909 -5.442 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.034 -25.039 -3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.253 -24.994 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.755 -24.381 -6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.551 -26.416 -6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.003 -27.020 -5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.167 -26.995 -7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.667 -26.481 -8.325 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.960 -29.077 -6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.169 -28.971 -8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.957 -29.705 -7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.883 -28.195 -8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.682 -28.298 -7.005 1.00 0.00 H new ATOM 718 N GLN A 76 -2.006 -22.764 -4.973 1.00 0.00 N ATOM 719 CA GLN A 76 -0.666 -22.214 -5.032 1.00 0.00 C ATOM 720 C GLN A 76 -0.186 -21.878 -3.604 1.00 0.00 C ATOM 721 O GLN A 76 0.969 -22.148 -3.267 1.00 0.00 O ATOM 722 CB GLN A 76 -0.680 -20.992 -5.981 1.00 0.00 C ATOM 723 CG GLN A 76 -1.253 -21.227 -7.411 1.00 0.00 C ATOM 724 CD GLN A 76 -2.771 -21.003 -7.567 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.580 -21.490 -6.788 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.240 -20.257 -8.557 1.00 0.00 N ATOM 0 H GLN A 76 -2.708 -22.093 -5.285 1.00 0.00 H new ATOM 0 HA GLN A 76 0.047 -22.933 -5.436 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.259 -20.199 -5.508 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.342 -20.625 -6.079 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.733 -20.565 -8.104 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.022 -22.249 -7.712 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.597 -19.834 -9.226 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.244 -20.106 -8.650 1.00 0.00 H new ATOM 735 N LEU A 77 -1.075 -21.351 -2.746 1.00 0.00 N ATOM 736 CA LEU A 77 -0.857 -21.169 -1.307 1.00 0.00 C ATOM 737 C LEU A 77 -0.939 -22.521 -0.578 1.00 0.00 C ATOM 738 O LEU A 77 -0.266 -22.698 0.439 1.00 0.00 O ATOM 739 CB LEU A 77 -1.884 -20.187 -0.713 1.00 0.00 C ATOM 740 CG LEU A 77 -1.694 -18.702 -1.095 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.907 -17.863 -0.650 1.00 0.00 C ATOM 742 CD2 LEU A 77 -0.428 -18.093 -0.473 1.00 0.00 C ATOM 0 H LEU A 77 -1.995 -21.030 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 77 0.140 -20.750 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.880 -20.499 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.852 -20.270 0.373 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.594 -18.679 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.751 -16.821 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.807 -18.238 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.022 -17.935 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.342 -17.049 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.490 -18.155 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.448 -18.643 -0.818 1.00 0.00 H new ATOM 754 N GLY A 78 -1.718 -23.473 -1.106 1.00 0.00 N ATOM 755 CA GLY A 78 -1.785 -24.856 -0.635 1.00 0.00 C ATOM 756 C GLY A 78 -3.160 -25.267 -0.103 1.00 0.00 C ATOM 757 O GLY A 78 -3.285 -26.363 0.451 1.00 0.00 O ATOM 0 H GLY A 78 -2.337 -23.294 -1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.510 -25.521 -1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.045 -24.997 0.153 1.00 0.00 H new ATOM 761 N TYR A 79 -4.187 -24.427 -0.265 1.00 0.00 N ATOM 762 CA TYR A 79 -5.569 -24.772 0.062 1.00 0.00 C ATOM 763 C TYR A 79 -6.125 -25.603 -1.098 1.00 0.00 C ATOM 764 O TYR A 79 -5.870 -25.248 -2.253 1.00 0.00 O ATOM 765 CB TYR A 79 -6.396 -23.491 0.216 1.00 0.00 C ATOM 766 CG TYR A 79 -5.759 -22.528 1.192 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.874 -22.757 2.571 1.00 0.00 C ATOM 768 CD2 TYR A 79 -5.040 -21.418 0.718 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.242 -21.896 3.482 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.407 -20.552 1.624 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.502 -20.786 3.014 1.00 0.00 C ATOM 772 OH TYR A 79 -3.880 -19.939 3.885 1.00 0.00 O ATOM 0 H TYR A 79 -4.079 -23.481 -0.630 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.615 -25.333 0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.502 -23.008 -0.755 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.400 -23.745 0.558 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.449 -23.597 2.932 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.974 -21.231 -0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.321 -22.082 4.543 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.846 -19.705 1.257 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.419 -19.235 3.383 1.00 0.00 H new ATOM 782 N PRO A 80 -6.900 -26.672 -0.857 1.00 0.00 N ATOM 783 CA PRO A 80 -7.327 -27.546 -1.940 1.00 0.00 C ATOM 784 C PRO A 80 -8.355 -26.900 -2.876 1.00 0.00 C ATOM 785 O PRO A 80 -8.428 -27.289 -4.045 1.00 0.00 O ATOM 786 CB PRO A 80 -7.899 -28.795 -1.253 1.00 0.00 C ATOM 787 CG PRO A 80 -8.357 -28.267 0.106 1.00 0.00 C ATOM 788 CD PRO A 80 -7.274 -27.236 0.428 1.00 0.00 C ATOM 0 HA PRO A 80 -6.485 -27.780 -2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.727 -29.222 -1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.147 -29.577 -1.149 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.348 -27.816 0.055 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.404 -29.057 0.856 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.649 -26.467 1.103 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.419 -27.701 0.919 1.00 0.00 H new ATOM 796 N THR A 81 -9.139 -25.932 -2.391 1.00 0.00 N ATOM 797 CA THR A 81 -10.279 -25.384 -3.114 1.00 0.00 C ATOM 798 C THR A 81 -10.401 -23.888 -2.814 1.00 0.00 C ATOM 799 O THR A 81 -9.807 -23.386 -1.853 1.00 0.00 O ATOM 800 CB THR A 81 -11.537 -26.154 -2.661 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.570 -26.142 -1.244 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.563 -27.609 -3.129 1.00 0.00 C ATOM 0 H THR A 81 -8.994 -25.506 -1.476 1.00 0.00 H new ATOM 0 HA THR A 81 -10.156 -25.496 -4.191 1.00 0.00 H new ATOM 0 HB THR A 81 -12.400 -25.659 -3.106 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.267 -26.754 -0.928 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.475 -28.089 -2.775 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.536 -27.641 -4.218 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.697 -28.136 -2.728 1.00 0.00 H new ATOM 810 N LEU A 82 -11.222 -23.179 -3.600 1.00 0.00 N ATOM 811 CA LEU A 82 -11.576 -21.790 -3.302 1.00 0.00 C ATOM 812 C LEU A 82 -12.287 -21.721 -1.966 1.00 0.00 C ATOM 813 O LEU A 82 -12.001 -20.818 -1.187 1.00 0.00 O ATOM 814 CB LEU A 82 -12.492 -21.171 -4.386 1.00 0.00 C ATOM 815 CG LEU A 82 -11.827 -20.722 -5.699 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.651 -19.777 -5.450 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.363 -21.903 -6.553 1.00 0.00 C ATOM 0 H LEU A 82 -11.653 -23.548 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.648 -21.219 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.265 -21.900 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -12.995 -20.308 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.598 -20.185 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.211 -19.485 -6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.003 -18.889 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.900 -20.283 -4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.901 -21.531 -7.468 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.637 -22.493 -5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.220 -22.527 -6.807 1.00 0.00 H new ATOM 829 N GLU A 83 -13.181 -22.674 -1.678 1.00 0.00 N ATOM 830 CA GLU A 83 -13.862 -22.688 -0.394 1.00 0.00 C ATOM 831 C GLU A 83 -12.825 -22.813 0.716 1.00 0.00 C ATOM 832 O GLU A 83 -12.872 -22.004 1.626 1.00 0.00 O ATOM 833 CB GLU A 83 -14.998 -23.729 -0.323 1.00 0.00 C ATOM 834 CG GLU A 83 -14.567 -25.200 -0.286 1.00 0.00 C ATOM 835 CD GLU A 83 -15.771 -26.141 -0.099 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.414 -26.531 -1.103 1.00 0.00 O ATOM 837 OE2 GLU A 83 -16.074 -26.495 1.068 1.00 0.00 O ATOM 0 H GLU A 83 -13.442 -23.431 -2.310 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.384 -21.741 -0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.595 -23.524 0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.649 -23.584 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.049 -25.451 -1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.857 -25.351 0.527 1.00 0.00 H new ATOM 844 N ALA A 84 -11.852 -23.726 0.639 1.00 0.00 N ATOM 845 CA ALA A 84 -10.862 -23.921 1.703 1.00 0.00 C ATOM 846 C ALA A 84 -10.027 -22.661 1.927 1.00 0.00 C ATOM 847 O ALA A 84 -9.786 -22.268 3.072 1.00 0.00 O ATOM 848 CB ALA A 84 -9.978 -25.121 1.369 1.00 0.00 C ATOM 0 H ALA A 84 -11.728 -24.349 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.388 -24.122 2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.243 -25.263 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.596 -26.015 1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.463 -24.942 0.425 1.00 0.00 H new ATOM 854 N TYR A 85 -9.628 -21.990 0.844 1.00 0.00 N ATOM 855 CA TYR A 85 -8.971 -20.696 0.931 1.00 0.00 C ATOM 856 C TYR A 85 -9.856 -19.693 1.693 1.00 0.00 C ATOM 857 O TYR A 85 -9.380 -19.048 2.630 1.00 0.00 O ATOM 858 CB TYR A 85 -8.633 -20.219 -0.482 1.00 0.00 C ATOM 859 CG TYR A 85 -8.225 -18.766 -0.540 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.957 -18.379 -0.071 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.121 -17.807 -1.051 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.569 -17.030 -0.103 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.739 -16.455 -1.090 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.463 -16.059 -0.615 1.00 0.00 C ATOM 865 OH TYR A 85 -7.104 -14.746 -0.650 1.00 0.00 O ATOM 0 H TYR A 85 -9.753 -22.331 -0.109 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.042 -20.781 1.495 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.825 -20.832 -0.882 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.499 -20.372 -1.127 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.278 -19.124 0.316 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.094 -18.108 -1.410 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.596 -16.735 0.260 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.420 -15.715 -1.483 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.717 -14.255 -1.236 1.00 0.00 H new ATOM 875 N LEU A 86 -11.149 -19.601 1.356 1.00 0.00 N ATOM 876 CA LEU A 86 -12.085 -18.697 2.026 1.00 0.00 C ATOM 877 C LEU A 86 -12.350 -19.097 3.490 1.00 0.00 C ATOM 878 O LEU A 86 -12.473 -18.221 4.342 1.00 0.00 O ATOM 879 CB LEU A 86 -13.393 -18.642 1.218 1.00 0.00 C ATOM 880 CG LEU A 86 -13.233 -17.968 -0.159 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.336 -18.437 -1.107 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.270 -16.442 -0.021 1.00 0.00 C ATOM 0 H LEU A 86 -11.573 -20.153 0.610 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.634 -17.705 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.767 -19.656 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.145 -18.102 1.794 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.266 -18.254 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.212 -17.954 -2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.275 -19.518 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.309 -18.174 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.155 -15.985 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.224 -16.139 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.457 -16.116 0.628 1.00 0.00 H new ATOM 894 N ARG A 87 -12.393 -20.398 3.813 1.00 0.00 N ATOM 895 CA ARG A 87 -12.454 -20.879 5.214 1.00 0.00 C ATOM 896 C ARG A 87 -11.259 -20.341 6.006 1.00 0.00 C ATOM 897 O ARG A 87 -11.401 -20.052 7.191 1.00 0.00 O ATOM 898 CB ARG A 87 -12.424 -22.428 5.356 1.00 0.00 C ATOM 899 CG ARG A 87 -13.740 -23.228 5.250 1.00 0.00 C ATOM 900 CD ARG A 87 -14.217 -23.391 3.808 1.00 0.00 C ATOM 901 NE ARG A 87 -15.136 -24.520 3.547 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.319 -24.828 4.099 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.799 -24.182 5.160 1.00 0.00 N ATOM 904 NH2 ARG A 87 -17.029 -25.811 3.565 1.00 0.00 N ATOM 0 H ARG A 87 -12.387 -21.147 3.121 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.408 -20.516 5.596 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.746 -22.812 4.594 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.979 -22.658 6.324 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.598 -24.213 5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.514 -22.725 5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.713 -22.469 3.505 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.342 -23.507 3.169 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.818 -25.171 2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.262 -23.424 5.581 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.703 -24.446 5.551 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.673 -26.314 2.753 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.932 -26.064 3.966 1.00 0.00 H new ATOM 918 N SER A 88 -10.094 -20.228 5.371 1.00 0.00 N ATOM 919 CA SER A 88 -8.817 -19.935 6.013 1.00 0.00 C ATOM 920 C SER A 88 -8.573 -18.434 6.278 1.00 0.00 C ATOM 921 O SER A 88 -7.453 -18.059 6.630 1.00 0.00 O ATOM 922 CB SER A 88 -7.703 -20.589 5.190 1.00 0.00 C ATOM 923 OG SER A 88 -7.950 -21.986 5.077 1.00 0.00 O ATOM 0 H SER A 88 -10.012 -20.342 4.361 1.00 0.00 H new ATOM 0 HA SER A 88 -8.830 -20.364 7.015 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.655 -20.137 4.199 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.737 -20.418 5.665 1.00 0.00 H new ATOM 0 HG SER A 88 -8.608 -22.146 4.368 1.00 0.00 H new ATOM 929 N VAL A 89 -9.585 -17.567 6.136 1.00 0.00 N ATOM 930 CA VAL A 89 -9.494 -16.126 6.426 1.00 0.00 C ATOM 931 C VAL A 89 -10.649 -15.676 7.363 1.00 0.00 C ATOM 932 O VAL A 89 -11.258 -14.629 7.141 1.00 0.00 O ATOM 933 CB VAL A 89 -9.324 -15.381 5.071 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.408 -15.749 4.044 1.00 0.00 C ATOM 935 CG2 VAL A 89 -9.179 -13.854 5.175 1.00 0.00 C ATOM 0 H VAL A 89 -10.509 -17.852 5.810 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.615 -15.861 7.013 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.363 -15.748 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.236 -15.198 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.368 -16.819 3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.389 -15.492 4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.066 -13.430 4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.067 -13.436 5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.301 -13.612 5.773 1.00 0.00 H new ATOM 945 N PRO A 90 -10.984 -16.409 8.449 1.00 0.00 N ATOM 946 CA PRO A 90 -12.195 -16.145 9.231 1.00 0.00 C ATOM 947 C PRO A 90 -12.152 -14.825 10.023 1.00 0.00 C ATOM 948 O PRO A 90 -13.195 -14.329 10.446 1.00 0.00 O ATOM 949 CB PRO A 90 -12.348 -17.358 10.153 1.00 0.00 C ATOM 950 CG PRO A 90 -10.906 -17.792 10.408 1.00 0.00 C ATOM 951 CD PRO A 90 -10.206 -17.468 9.087 1.00 0.00 C ATOM 0 HA PRO A 90 -13.051 -16.014 8.569 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.859 -17.097 11.080 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.929 -18.151 9.681 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.463 -17.248 11.243 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.841 -18.853 10.649 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.180 -17.143 9.262 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.156 -18.350 8.449 1.00 0.00 H new ATOM 959 N ALA A 91 -10.960 -14.239 10.229 1.00 0.00 N ATOM 960 CA ALA A 91 -10.802 -12.989 10.971 1.00 0.00 C ATOM 961 C ALA A 91 -11.095 -11.745 10.119 1.00 0.00 C ATOM 962 O ALA A 91 -11.158 -10.640 10.662 1.00 0.00 O ATOM 963 CB ALA A 91 -9.381 -12.928 11.546 1.00 0.00 C ATOM 0 H ALA A 91 -10.081 -14.624 9.883 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.537 -12.983 11.776 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.253 -11.999 12.102 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.222 -13.775 12.214 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.657 -12.967 10.732 1.00 0.00 H new ATOM 969 N VAL A 92 -11.248 -11.900 8.796 1.00 0.00 N ATOM 970 CA VAL A 92 -11.411 -10.778 7.859 1.00 0.00 C ATOM 971 C VAL A 92 -12.592 -11.048 6.915 1.00 0.00 C ATOM 972 O VAL A 92 -13.207 -10.103 6.414 1.00 0.00 O ATOM 973 CB VAL A 92 -10.079 -10.547 7.101 1.00 0.00 C ATOM 974 CG1 VAL A 92 -10.122 -9.330 6.168 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.888 -10.357 8.055 1.00 0.00 C ATOM 0 H VAL A 92 -11.262 -12.814 8.343 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.645 -9.861 8.401 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.946 -11.453 6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.160 -9.222 5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.906 -9.470 5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.331 -8.432 6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.979 -10.199 7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.067 -9.491 8.693 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.773 -11.246 8.675 1.00 0.00 H new ATOM 985 N VAL A 93 -12.953 -12.312 6.694 1.00 0.00 N ATOM 986 CA VAL A 93 -13.904 -12.766 5.685 1.00 0.00 C ATOM 987 C VAL A 93 -14.824 -13.797 6.358 1.00 0.00 C ATOM 988 O VAL A 93 -14.528 -14.318 7.434 1.00 0.00 O ATOM 989 CB VAL A 93 -13.083 -13.308 4.490 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.843 -14.122 3.430 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.331 -12.154 3.804 1.00 0.00 C ATOM 0 H VAL A 93 -12.570 -13.083 7.242 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.549 -11.981 5.290 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.406 -14.029 4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.151 -14.440 2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.292 -14.999 3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.626 -13.505 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.755 -12.543 2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.048 -11.417 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.656 -11.683 4.519 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.974 -14.054 5.742 1.00 0.00 N ATOM 1002 CA ARG A 94 -17.061 -14.880 6.267 1.00 0.00 C ATOM 1003 C ARG A 94 -17.664 -15.615 5.086 1.00 0.00 C ATOM 1004 O ARG A 94 -17.575 -15.127 3.962 1.00 0.00 O ATOM 1005 CB ARG A 94 -18.044 -13.949 7.013 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.488 -14.462 7.205 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.300 -13.560 8.150 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.312 -12.142 7.732 1.00 0.00 N ATOM 1009 CZ ARG A 94 -20.588 -11.095 8.523 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -21.124 -11.274 9.726 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -20.317 -9.866 8.094 1.00 0.00 N ATOM 0 H ARG A 94 -16.185 -13.675 4.819 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.741 -15.631 6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.627 -13.735 7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -18.090 -13.003 6.474 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.986 -14.514 6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.462 -15.476 7.605 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.325 -13.926 8.200 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.886 -13.632 9.156 1.00 0.00 H new ATOM 0 HE ARG A 94 -20.091 -11.943 6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -21.330 -12.216 10.057 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.329 -10.469 10.318 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.904 -9.727 7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.523 -9.062 8.687 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.284 -16.764 5.311 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.888 -17.559 4.251 1.00 0.00 C ATOM 1027 C ILE A 95 -20.167 -18.206 4.783 1.00 0.00 C ATOM 1028 O ILE A 95 -20.284 -18.480 5.980 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.885 -18.610 3.710 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.349 -19.556 4.804 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.709 -17.948 2.969 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.360 -20.609 4.294 1.00 0.00 C ATOM 0 H ILE A 95 -18.383 -17.174 6.240 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.149 -16.917 3.410 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.453 -19.215 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.862 -18.961 5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.191 -20.063 5.275 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -16.029 -18.718 2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -17.089 -17.371 2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -16.176 -17.285 3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -16.032 -21.233 5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.847 -21.232 3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.497 -20.113 3.850 1.00 0.00 H new ATOM 1044 N GLU A 96 -21.100 -18.492 3.875 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.308 -19.255 4.139 1.00 0.00 C ATOM 1046 C GLU A 96 -22.359 -20.358 3.083 1.00 0.00 C ATOM 1047 O GLU A 96 -22.692 -20.102 1.924 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.551 -18.349 4.085 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.617 -17.300 5.210 1.00 0.00 C ATOM 1050 CD GLU A 96 -23.716 -17.882 6.635 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -24.218 -19.019 6.820 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -23.292 -17.197 7.598 1.00 0.00 O ATOM 0 H GLU A 96 -21.028 -18.186 2.905 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.297 -19.687 5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.571 -17.836 3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.444 -18.973 4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -22.730 -16.669 5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -24.478 -16.655 5.036 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.961 -21.574 3.464 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.147 -22.767 2.648 1.00 0.00 C ATOM 1061 C ALA A 97 -23.612 -23.183 2.798 1.00 0.00 C ATOM 1062 O ALA A 97 -24.061 -23.516 3.900 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.190 -23.877 3.095 1.00 0.00 C ATOM 0 H ALA A 97 -21.498 -21.755 4.354 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.921 -22.571 1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.343 -24.760 2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.161 -23.534 2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.385 -24.128 4.138 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.547 -22.117 -1.913 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.074 -21.237 -0.849 1.00 0.00 C ATOM 1139 C ILE A 103 -21.088 -19.800 -1.345 1.00 0.00 C ATOM 1140 O ILE A 103 -20.693 -19.526 -2.478 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.729 -21.735 -0.242 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.089 -20.736 0.748 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.688 -22.253 -1.244 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.165 -19.687 0.105 1.00 0.00 C ATOM 0 HA ILE A 103 -21.753 -21.266 0.003 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.048 -22.613 0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.885 -20.218 1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.518 -21.296 1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.794 -22.572 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.102 -23.098 -1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.428 -21.457 -1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.764 -19.032 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.344 -20.190 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.731 -19.095 -0.614 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.514 -18.897 -0.469 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.593 -17.461 -0.682 1.00 0.00 C ATOM 1158 C VAL A 104 -20.553 -16.838 0.249 1.00 0.00 C ATOM 1159 O VAL A 104 -20.418 -17.280 1.389 1.00 0.00 O ATOM 1160 CB VAL A 104 -23.031 -16.968 -0.385 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.235 -15.563 -0.967 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.125 -17.904 -0.940 1.00 0.00 C ATOM 0 H VAL A 104 -21.831 -19.166 0.462 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.382 -17.176 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.132 -16.957 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.249 -15.224 -0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.520 -14.875 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -23.081 -15.590 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.108 -17.500 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -24.022 -17.982 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -24.019 -18.893 -0.493 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.798 -15.852 -0.231 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.688 -15.243 0.495 1.00 0.00 C ATOM 1174 C CYS A 105 -19.070 -13.829 0.916 1.00 0.00 C ATOM 1175 O CYS A 105 -19.757 -13.148 0.158 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.442 -15.189 -0.410 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.257 -16.687 -1.421 1.00 0.00 S ATOM 0 H CYS A 105 -19.945 -15.446 -1.155 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.466 -15.840 1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.508 -14.319 -1.063 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.553 -15.058 0.207 1.00 0.00 H new ATOM 0 HG CYS A 105 -18.116 -16.661 -2.396 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.560 -13.373 2.063 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.861 -12.082 2.677 1.00 0.00 C ATOM 1185 C TYR A 106 -17.616 -11.525 3.353 1.00 0.00 C ATOM 1186 O TYR A 106 -16.660 -12.252 3.602 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.936 -12.284 3.751 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.282 -12.695 3.210 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -22.112 -11.716 2.639 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.699 -14.036 3.283 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.398 -12.057 2.197 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.974 -14.392 2.811 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.839 -13.400 2.279 1.00 0.00 C ATOM 1194 OH TYR A 106 -25.094 -13.723 1.845 1.00 0.00 O ATOM 0 H TYR A 106 -17.897 -13.920 2.612 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.204 -11.391 1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.593 -13.043 4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -20.051 -11.357 4.313 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.759 -10.700 2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -21.044 -14.787 3.699 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -24.051 -11.297 1.795 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.296 -15.422 2.853 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.245 -14.684 1.967 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.638 -10.236 3.685 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.594 -9.620 4.494 1.00 0.00 C ATOM 1206 C ALA A 107 -16.911 -9.805 5.978 1.00 0.00 C ATOM 1207 O ALA A 107 -18.041 -10.144 6.338 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.512 -8.131 4.149 1.00 0.00 C ATOM 0 H ALA A 107 -18.377 -9.593 3.401 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.635 -10.093 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.733 -7.661 4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.275 -8.015 3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.470 -7.655 4.360 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.933 -9.510 6.829 1.00 0.00 N ATOM 1215 CA VAL A 108 -16.114 -9.483 8.294 1.00 0.00 C ATOM 1216 C VAL A 108 -15.419 -8.302 8.987 1.00 0.00 C ATOM 1217 O VAL A 108 -15.907 -7.876 10.041 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.697 -10.855 8.880 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.606 -10.853 9.960 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.929 -11.557 9.460 1.00 0.00 C ATOM 0 H VAL A 108 -14.985 -9.281 6.530 1.00 0.00 H new ATOM 0 HA VAL A 108 -17.171 -9.314 8.498 1.00 0.00 H new ATOM 0 HB VAL A 108 -15.258 -11.374 8.028 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.411 -11.876 10.282 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.692 -10.420 9.553 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.939 -10.261 10.813 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.637 -12.523 9.873 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.361 -10.941 10.249 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.667 -11.707 8.672 1.00 0.00 H new ATOM 1230 N ALA A 109 -14.303 -7.797 8.440 1.00 0.00 N ATOM 1231 CA ALA A 109 -13.559 -6.711 9.079 1.00 0.00 C ATOM 1232 C ALA A 109 -14.435 -5.460 9.246 1.00 0.00 C ATOM 1233 O ALA A 109 -15.314 -5.212 8.387 1.00 0.00 O ATOM 1234 CB ALA A 109 -12.274 -6.384 8.312 1.00 0.00 C ATOM 1235 OXT ALA A 109 -14.217 -4.712 10.225 1.00 0.00 O ATOM 0 H ALA A 109 -13.901 -8.124 7.561 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.271 -7.054 10.073 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.747 -5.573 8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.635 -7.267 8.279 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -12.524 -6.079 7.296 1.00 0.00 H new