USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 945 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 127 ASN : amide:sc= -1.5! C(o=-2.7!,f=-4.8!) USER MOD Set 1.2: A 144 ASN : amide:sc= -1.24! K(o=-2.7!,f=-3.7) USER MOD Set 2.1: A 119 HIS : no HD1:sc= 0.914 K(o=3.8,f=-6.4!) USER MOD Set 2.2: A 131 HIS : no HD1:sc= 1.86 K(o=3.8,f=-12!) USER MOD Set 2.3: A 141 SER OG : rot -150:sc= 0.991 USER MOD Set 3.1: A 47 GLN : amide:sc= 0.287 K(o=0.44,f=-0.55) USER MOD Set 3.2: A 79 GLN : amide:sc= 0.149 K(o=0.44,f=-0.55) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 58:sc= -0.22 USER MOD Single : A 45 MET CE :methyl 140:sc= -1.61 (180deg=-3.88!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 135:sc= -1.46 (180deg=-3.98!) USER MOD Single : A 56 TYR OH : rot 165:sc= -0.183 USER MOD Single : A 61 SER OG : rot 47:sc= 0.538 USER MOD Single : A 62 THR OG1 : rot 170:sc= -0.532 USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.14) USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0238) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.475 USER MOD Single : A 69 SER OG : rot -24:sc= 0.929 USER MOD Single : A 73 GLN : amide:sc= -1.18 K(o=-1.2,f=-4.5!) USER MOD Single : A 75 THR OG1 : rot 75:sc= 0.318 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0547 USER MOD Single : A 89 TYR OH : rot 120:sc= 0.75 USER MOD Single : A 91 GLN : amide:sc= -0.286 K(o=-0.29,f=-1.3) USER MOD Single : A 92 GLN : amide:sc= -2.13 K(o=-2.1,f=-4.1!) USER MOD Single : A 94 MET CE :methyl -159:sc= -0.186 (180deg=-0.732) USER MOD Single : A 96 LYS NZ :NH3+ 172:sc=-0.000933 (180deg=-0.109) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= -0.0524 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 105 THR OG1 : rot -92:sc= 0.749 USER MOD Single : A 123 TYR OH : rot 12:sc= -0.423 USER MOD Single : A 126 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.2!) USER MOD Single : A 128 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot -169:sc= -1.33 USER MOD Single : A 143 MET CE :methyl -170:sc= 0 (180deg=-0.117) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 153 ASN : amide:sc= -1.77! C(o=-1.8!,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 39 -10.029 -13.675 3.413 1.00 31.34 N ATOM 51 CA ASP A 39 -9.333 -13.352 2.169 1.00 74.30 C ATOM 52 C ASP A 39 -8.484 -12.085 2.347 1.00 5.32 C ATOM 53 O ASP A 39 -8.917 -11.123 2.988 1.00 42.01 O ATOM 54 CB ASP A 39 -10.363 -13.172 1.046 1.00 42.12 C ATOM 55 CG ASP A 39 -9.760 -12.630 -0.237 1.00 13.10 C ATOM 56 OD1 ASP A 39 -9.072 -13.393 -0.948 1.00 43.11 O ATOM 57 OD2 ASP A 39 -9.982 -11.442 -0.545 1.00 20.33 O ATOM 0 HA ASP A 39 -8.661 -14.168 1.903 1.00 74.30 H new ATOM 0 HB2 ASP A 39 -10.838 -14.131 0.840 1.00 42.12 H new ATOM 0 HB3 ASP A 39 -11.147 -12.495 1.386 1.00 42.12 H new ATOM 62 N VAL A 40 -7.279 -12.090 1.777 1.00 33.44 N ATOM 63 CA VAL A 40 -6.344 -10.970 1.937 1.00 1.13 C ATOM 64 C VAL A 40 -6.969 -9.643 1.478 1.00 74.42 C ATOM 65 O VAL A 40 -7.064 -8.692 2.256 1.00 42.33 O ATOM 66 CB VAL A 40 -5.023 -11.216 1.163 1.00 43.32 C ATOM 67 CG1 VAL A 40 -4.030 -10.081 1.406 1.00 70.33 C ATOM 68 CG2 VAL A 40 -4.408 -12.563 1.544 1.00 71.50 C ATOM 0 H VAL A 40 -6.925 -12.854 1.201 1.00 33.44 H new ATOM 0 HA VAL A 40 -6.119 -10.902 3.001 1.00 1.13 H new ATOM 0 HB VAL A 40 -5.258 -11.240 0.099 1.00 43.32 H new ATOM 0 HG11 VAL A 40 -3.111 -10.276 0.853 1.00 70.33 H new ATOM 0 HG12 VAL A 40 -4.464 -9.140 1.068 1.00 70.33 H new ATOM 0 HG13 VAL A 40 -3.805 -10.016 2.471 1.00 70.33 H new ATOM 0 HG21 VAL A 40 -3.483 -12.711 0.987 1.00 71.50 H new ATOM 0 HG22 VAL A 40 -4.194 -12.576 2.613 1.00 71.50 H new ATOM 0 HG23 VAL A 40 -5.108 -13.363 1.304 1.00 71.50 H new ATOM 78 N LYS A 41 -7.414 -9.594 0.220 1.00 22.14 N ATOM 79 CA LYS A 41 -8.057 -8.391 -0.330 1.00 24.13 C ATOM 80 C LYS A 41 -9.260 -7.955 0.524 1.00 2.13 C ATOM 81 O LYS A 41 -9.451 -6.765 0.789 1.00 3.10 O ATOM 82 CB LYS A 41 -8.519 -8.643 -1.773 1.00 42.31 C ATOM 83 CG LYS A 41 -9.237 -7.451 -2.404 1.00 45.01 C ATOM 84 CD LYS A 41 -9.816 -7.786 -3.775 1.00 51.11 C ATOM 85 CE LYS A 41 -10.578 -6.607 -4.363 1.00 71.31 C ATOM 86 NZ LYS A 41 -11.233 -6.951 -5.650 1.00 55.32 N ATOM 0 H LYS A 41 -7.343 -10.370 -0.438 1.00 22.14 H new ATOM 0 HA LYS A 41 -7.317 -7.591 -0.318 1.00 24.13 H new ATOM 0 HB2 LYS A 41 -7.653 -8.899 -2.383 1.00 42.31 H new ATOM 0 HB3 LYS A 41 -9.185 -9.506 -1.787 1.00 42.31 H new ATOM 0 HG2 LYS A 41 -10.039 -7.121 -1.744 1.00 45.01 H new ATOM 0 HG3 LYS A 41 -8.540 -6.618 -2.500 1.00 45.01 H new ATOM 0 HD2 LYS A 41 -9.010 -8.073 -4.451 1.00 51.11 H new ATOM 0 HD3 LYS A 41 -10.482 -8.645 -3.690 1.00 51.11 H new ATOM 0 HE2 LYS A 41 -11.332 -6.272 -3.651 1.00 71.31 H new ATOM 0 HE3 LYS A 41 -9.893 -5.773 -4.517 1.00 71.31 H new ATOM 0 HZ1 LYS A 41 -11.740 -6.119 -6.015 1.00 55.32 H new ATOM 0 HZ2 LYS A 41 -10.512 -7.246 -6.339 1.00 55.32 H new ATOM 0 HZ3 LYS A 41 -11.907 -7.729 -5.500 1.00 55.32 H new ATOM 100 N SER A 42 -10.061 -8.929 0.953 1.00 34.20 N ATOM 101 CA SER A 42 -11.257 -8.656 1.760 1.00 53.25 C ATOM 102 C SER A 42 -10.904 -7.927 3.064 1.00 25.43 C ATOM 103 O SER A 42 -11.585 -6.980 3.453 1.00 62.05 O ATOM 104 CB SER A 42 -12.007 -9.960 2.083 1.00 51.03 C ATOM 105 OG SER A 42 -12.367 -10.662 0.898 1.00 34.10 O ATOM 0 H SER A 42 -9.906 -9.918 0.756 1.00 34.20 H new ATOM 0 HA SER A 42 -11.903 -8.008 1.168 1.00 53.25 H new ATOM 0 HB2 SER A 42 -11.380 -10.596 2.708 1.00 51.03 H new ATOM 0 HB3 SER A 42 -12.904 -9.732 2.659 1.00 51.03 H new ATOM 0 HG SER A 42 -11.562 -10.852 0.373 1.00 34.10 H new ATOM 111 N ARG A 43 -9.843 -8.370 3.740 1.00 41.52 N ATOM 112 CA ARG A 43 -9.404 -7.725 4.985 1.00 1.42 C ATOM 113 C ARG A 43 -8.709 -6.375 4.727 1.00 41.24 C ATOM 114 O ARG A 43 -8.824 -5.449 5.534 1.00 43.41 O ATOM 115 CB ARG A 43 -8.498 -8.663 5.801 1.00 4.35 C ATOM 116 CG ARG A 43 -9.275 -9.727 6.575 1.00 65.05 C ATOM 117 CD ARG A 43 -8.441 -10.349 7.691 1.00 4.12 C ATOM 118 NE ARG A 43 -9.276 -11.032 8.679 1.00 63.41 N ATOM 119 CZ ARG A 43 -8.945 -11.216 9.931 1.00 50.24 C ATOM 120 NH1 ARG A 43 -7.801 -10.817 10.387 1.00 31.41 N ATOM 121 NH2 ARG A 43 -9.769 -11.797 10.735 1.00 32.44 N ATOM 0 H ARG A 43 -9.274 -9.166 3.452 1.00 41.52 H new ATOM 0 HA ARG A 43 -10.300 -7.517 5.570 1.00 1.42 H new ATOM 0 HB2 ARG A 43 -7.794 -9.154 5.129 1.00 4.35 H new ATOM 0 HB3 ARG A 43 -7.909 -8.071 6.502 1.00 4.35 H new ATOM 0 HG2 ARG A 43 -10.174 -9.281 7.000 1.00 65.05 H new ATOM 0 HG3 ARG A 43 -9.601 -10.508 5.888 1.00 65.05 H new ATOM 0 HD2 ARG A 43 -7.732 -11.057 7.263 1.00 4.12 H new ATOM 0 HD3 ARG A 43 -7.857 -9.572 8.184 1.00 4.12 H new ATOM 0 HE ARG A 43 -10.180 -11.390 8.370 1.00 63.41 H new ATOM 0 HH11 ARG A 43 -7.140 -10.350 9.767 1.00 31.41 H new ATOM 0 HH12 ARG A 43 -7.561 -10.970 11.367 1.00 31.41 H new ATOM 0 HH21 ARG A 43 -10.677 -12.112 10.394 1.00 32.44 H new ATOM 0 HH22 ARG A 43 -9.512 -11.941 11.712 1.00 32.44 H new ATOM 135 N ILE A 44 -7.998 -6.258 3.607 1.00 73.40 N ATOM 136 CA ILE A 44 -7.396 -4.976 3.211 1.00 34.22 C ATOM 137 C ILE A 44 -8.481 -3.901 3.027 1.00 63.24 C ATOM 138 O ILE A 44 -8.391 -2.804 3.579 1.00 64.20 O ATOM 139 CB ILE A 44 -6.579 -5.109 1.898 1.00 62.03 C ATOM 140 CG1 ILE A 44 -5.424 -6.107 2.081 1.00 2.11 C ATOM 141 CG2 ILE A 44 -6.046 -3.747 1.448 1.00 52.21 C ATOM 142 CD1 ILE A 44 -4.660 -6.399 0.804 1.00 72.42 C ATOM 0 H ILE A 44 -7.823 -7.026 2.959 1.00 73.40 H new ATOM 0 HA ILE A 44 -6.719 -4.678 4.012 1.00 34.22 H new ATOM 0 HB ILE A 44 -7.243 -5.487 1.121 1.00 62.03 H new ATOM 0 HG12 ILE A 44 -4.732 -5.715 2.826 1.00 2.11 H new ATOM 0 HG13 ILE A 44 -5.822 -7.041 2.477 1.00 2.11 H new ATOM 0 HG21 ILE A 44 -5.477 -3.866 0.526 1.00 52.21 H new ATOM 0 HG22 ILE A 44 -6.881 -3.069 1.274 1.00 52.21 H new ATOM 0 HG23 ILE A 44 -5.400 -3.335 2.223 1.00 52.21 H new ATOM 0 HD11 ILE A 44 -3.861 -7.111 1.013 1.00 72.42 H new ATOM 0 HD12 ILE A 44 -5.338 -6.822 0.063 1.00 72.42 H new ATOM 0 HD13 ILE A 44 -4.231 -5.475 0.417 1.00 72.42 H new ATOM 154 N MET A 45 -9.516 -4.238 2.256 1.00 2.44 N ATOM 155 CA MET A 45 -10.654 -3.334 2.041 1.00 2.24 C ATOM 156 C MET A 45 -11.465 -3.147 3.333 1.00 1.14 C ATOM 157 O MET A 45 -12.004 -2.068 3.593 1.00 32.25 O ATOM 158 CB MET A 45 -11.555 -3.878 0.927 1.00 71.42 C ATOM 159 CG MET A 45 -10.863 -4.050 -0.428 1.00 11.31 C ATOM 160 SD MET A 45 -10.409 -2.485 -1.220 1.00 34.25 S ATOM 161 CE MET A 45 -8.830 -2.107 -0.458 1.00 62.32 C ATOM 0 H MET A 45 -9.592 -5.131 1.768 1.00 2.44 H new ATOM 0 HA MET A 45 -10.263 -2.361 1.743 1.00 2.24 H new ATOM 0 HB2 MET A 45 -11.955 -4.842 1.240 1.00 71.42 H new ATOM 0 HB3 MET A 45 -12.404 -3.205 0.804 1.00 71.42 H new ATOM 0 HG2 MET A 45 -9.965 -4.652 -0.293 1.00 11.31 H new ATOM 0 HG3 MET A 45 -11.522 -4.606 -1.094 1.00 11.31 H new ATOM 0 HE1 MET A 45 -8.151 -1.703 -1.209 1.00 62.32 H new ATOM 0 HE2 MET A 45 -8.975 -1.372 0.333 1.00 62.32 H new ATOM 0 HE3 MET A 45 -8.403 -3.016 -0.035 1.00 62.32 H new ATOM 171 N ASP A 46 -11.539 -4.203 4.140 1.00 73.41 N ATOM 172 CA ASP A 46 -12.233 -4.162 5.432 1.00 32.24 C ATOM 173 C ASP A 46 -11.681 -3.030 6.317 1.00 62.54 C ATOM 174 O ASP A 46 -12.442 -2.289 6.946 1.00 3.43 O ATOM 175 CB ASP A 46 -12.087 -5.523 6.130 1.00 10.30 C ATOM 176 CG ASP A 46 -13.048 -5.709 7.293 1.00 23.15 C ATOM 177 OD1 ASP A 46 -14.231 -6.028 7.044 1.00 4.31 O ATOM 178 OD2 ASP A 46 -12.626 -5.552 8.459 1.00 15.31 O ATOM 0 H ASP A 46 -11.123 -5.108 3.922 1.00 73.41 H new ATOM 0 HA ASP A 46 -13.290 -3.959 5.262 1.00 32.24 H new ATOM 0 HB2 ASP A 46 -12.252 -6.317 5.401 1.00 10.30 H new ATOM 0 HB3 ASP A 46 -11.064 -5.630 6.492 1.00 10.30 H new ATOM 183 N GLN A 47 -10.355 -2.893 6.351 1.00 73.33 N ATOM 184 CA GLN A 47 -9.708 -1.809 7.099 1.00 2.22 C ATOM 185 C GLN A 47 -9.765 -0.481 6.322 1.00 65.21 C ATOM 186 O GLN A 47 -9.911 0.588 6.916 1.00 45.12 O ATOM 187 CB GLN A 47 -8.250 -2.167 7.416 1.00 62.31 C ATOM 188 CG GLN A 47 -7.563 -1.166 8.336 1.00 33.33 C ATOM 189 CD GLN A 47 -8.211 -1.083 9.709 1.00 11.13 C ATOM 190 OE1 GLN A 47 -8.724 -2.069 10.229 1.00 43.15 O ATOM 191 NE2 GLN A 47 -8.221 0.099 10.295 1.00 13.41 N ATOM 0 H GLN A 47 -9.707 -3.517 5.871 1.00 73.33 H new ATOM 0 HA GLN A 47 -10.254 -1.682 8.034 1.00 2.22 H new ATOM 0 HB2 GLN A 47 -8.219 -3.154 7.878 1.00 62.31 H new ATOM 0 HB3 GLN A 47 -7.690 -2.234 6.483 1.00 62.31 H new ATOM 0 HG2 GLN A 47 -6.515 -1.445 8.450 1.00 33.33 H new ATOM 0 HG3 GLN A 47 -7.582 -0.180 7.871 1.00 33.33 H new ATOM 0 HE21 GLN A 47 -7.786 0.899 9.836 1.00 13.41 H new ATOM 0 HE22 GLN A 47 -8.664 0.212 11.207 1.00 13.41 H new ATOM 200 N TYR A 48 -9.648 -0.556 4.993 1.00 42.32 N ATOM 201 CA TYR A 48 -9.728 0.636 4.129 1.00 32.33 C ATOM 202 C TYR A 48 -11.001 1.456 4.412 1.00 1.44 C ATOM 203 O TYR A 48 -10.998 2.684 4.305 1.00 41.14 O ATOM 204 CB TYR A 48 -9.677 0.222 2.649 1.00 74.03 C ATOM 205 CG TYR A 48 -9.863 1.371 1.669 1.00 32.52 C ATOM 206 CD1 TYR A 48 -9.025 2.483 1.695 1.00 41.44 C ATOM 207 CD2 TYR A 48 -10.878 1.341 0.715 1.00 43.11 C ATOM 208 CE1 TYR A 48 -9.194 3.527 0.804 1.00 24.31 C ATOM 209 CE2 TYR A 48 -11.051 2.380 -0.179 1.00 73.12 C ATOM 210 CZ TYR A 48 -10.207 3.471 -0.131 1.00 23.13 C ATOM 211 OH TYR A 48 -10.374 4.506 -1.023 1.00 0.50 O ATOM 0 H TYR A 48 -9.497 -1.429 4.487 1.00 42.32 H new ATOM 0 HA TYR A 48 -8.870 1.269 4.353 1.00 32.33 H new ATOM 0 HB2 TYR A 48 -8.718 -0.257 2.451 1.00 74.03 H new ATOM 0 HB3 TYR A 48 -10.450 -0.524 2.466 1.00 74.03 H new ATOM 0 HD1 TYR A 48 -8.229 2.531 2.424 1.00 41.44 H new ATOM 0 HD2 TYR A 48 -11.542 0.490 0.674 1.00 43.11 H new ATOM 0 HE1 TYR A 48 -8.536 4.383 0.840 1.00 24.31 H new ATOM 0 HE2 TYR A 48 -11.843 2.339 -0.912 1.00 73.12 H new ATOM 0 HH TYR A 48 -11.131 4.310 -1.614 1.00 0.50 H new ATOM 221 N ALA A 49 -12.079 0.766 4.782 1.00 11.22 N ATOM 222 CA ALA A 49 -13.337 1.422 5.159 1.00 4.15 C ATOM 223 C ALA A 49 -13.121 2.493 6.246 1.00 33.23 C ATOM 224 O ALA A 49 -13.790 3.524 6.256 1.00 15.41 O ATOM 225 CB ALA A 49 -14.345 0.382 5.635 1.00 4.53 C ATOM 0 H ALA A 49 -12.109 -0.252 4.830 1.00 11.22 H new ATOM 0 HA ALA A 49 -13.727 1.926 4.275 1.00 4.15 H new ATOM 0 HB1 ALA A 49 -15.275 0.877 5.913 1.00 4.53 H new ATOM 0 HB2 ALA A 49 -14.539 -0.331 4.833 1.00 4.53 H new ATOM 0 HB3 ALA A 49 -13.943 -0.145 6.500 1.00 4.53 H new ATOM 231 N ASP A 50 -12.176 2.243 7.148 1.00 24.04 N ATOM 232 CA ASP A 50 -11.832 3.192 8.216 1.00 44.22 C ATOM 233 C ASP A 50 -10.885 4.305 7.729 1.00 55.03 C ATOM 234 O ASP A 50 -10.784 5.360 8.354 1.00 72.44 O ATOM 235 CB ASP A 50 -11.191 2.438 9.395 1.00 4.40 C ATOM 236 CG ASP A 50 -12.207 2.001 10.434 1.00 61.21 C ATOM 237 OD1 ASP A 50 -12.787 0.906 10.291 1.00 52.23 O ATOM 238 OD2 ASP A 50 -12.421 2.754 11.409 1.00 60.22 O ATOM 0 H ASP A 50 -11.627 1.384 7.164 1.00 24.04 H new ATOM 0 HA ASP A 50 -12.757 3.671 8.537 1.00 44.22 H new ATOM 0 HB2 ASP A 50 -10.664 1.562 9.017 1.00 4.40 H new ATOM 0 HB3 ASP A 50 -10.446 3.078 9.868 1.00 4.40 H new ATOM 243 N TRP A 51 -10.196 4.070 6.615 1.00 41.54 N ATOM 244 CA TRP A 51 -9.174 5.006 6.125 1.00 54.12 C ATOM 245 C TRP A 51 -9.670 5.901 4.975 1.00 71.53 C ATOM 246 O TRP A 51 -8.948 6.789 4.521 1.00 4.21 O ATOM 247 CB TRP A 51 -7.927 4.232 5.683 1.00 43.15 C ATOM 248 CG TRP A 51 -7.214 3.562 6.818 1.00 5.13 C ATOM 249 CD1 TRP A 51 -7.293 2.248 7.180 1.00 23.13 C ATOM 250 CD2 TRP A 51 -6.320 4.182 7.748 1.00 61.01 C ATOM 251 NE1 TRP A 51 -6.495 2.012 8.275 1.00 11.00 N ATOM 252 CE2 TRP A 51 -5.890 3.185 8.641 1.00 12.11 C ATOM 253 CE3 TRP A 51 -5.837 5.481 7.907 1.00 41.34 C ATOM 254 CZ2 TRP A 51 -5.004 3.450 9.678 1.00 55.31 C ATOM 255 CZ3 TRP A 51 -4.958 5.742 8.936 1.00 73.23 C ATOM 256 CH2 TRP A 51 -4.549 4.730 9.812 1.00 70.02 C ATOM 0 H TRP A 51 -10.323 3.243 6.032 1.00 41.54 H new ATOM 0 HA TRP A 51 -8.933 5.669 6.956 1.00 54.12 H new ATOM 0 HB2 TRP A 51 -8.216 3.479 4.949 1.00 43.15 H new ATOM 0 HB3 TRP A 51 -7.240 4.916 5.185 1.00 43.15 H new ATOM 0 HD1 TRP A 51 -7.894 1.503 6.680 1.00 23.13 H new ATOM 0 HE1 TRP A 51 -6.374 1.111 8.738 1.00 11.00 H new ATOM 0 HE3 TRP A 51 -6.146 6.268 7.236 1.00 41.34 H new ATOM 0 HZ2 TRP A 51 -4.686 2.670 10.355 1.00 55.31 H new ATOM 0 HZ3 TRP A 51 -4.578 6.744 9.069 1.00 73.23 H new ATOM 0 HH2 TRP A 51 -3.860 4.966 10.609 1.00 70.02 H new ATOM 267 N LYS A 52 -10.894 5.680 4.502 1.00 11.41 N ATOM 268 CA LYS A 52 -11.449 6.522 3.436 1.00 64.12 C ATOM 269 C LYS A 52 -11.643 7.973 3.914 1.00 2.31 C ATOM 270 O LYS A 52 -12.259 8.220 4.954 1.00 53.31 O ATOM 271 CB LYS A 52 -12.780 5.960 2.914 1.00 15.45 C ATOM 272 CG LYS A 52 -12.669 4.553 2.337 1.00 75.32 C ATOM 273 CD LYS A 52 -13.896 4.158 1.510 1.00 64.41 C ATOM 274 CE LYS A 52 -15.180 4.078 2.337 1.00 52.51 C ATOM 275 NZ LYS A 52 -15.686 5.419 2.750 1.00 74.45 N ATOM 0 H LYS A 52 -11.514 4.940 4.830 1.00 11.41 H new ATOM 0 HA LYS A 52 -10.728 6.519 2.618 1.00 64.12 H new ATOM 0 HB2 LYS A 52 -13.505 5.953 3.728 1.00 15.45 H new ATOM 0 HB3 LYS A 52 -13.170 6.628 2.146 1.00 15.45 H new ATOM 0 HG2 LYS A 52 -11.778 4.490 1.712 1.00 75.32 H new ATOM 0 HG3 LYS A 52 -12.539 3.840 3.151 1.00 75.32 H new ATOM 0 HD2 LYS A 52 -14.033 4.882 0.707 1.00 64.41 H new ATOM 0 HD3 LYS A 52 -13.713 3.192 1.040 1.00 64.41 H new ATOM 0 HE2 LYS A 52 -15.949 3.567 1.757 1.00 52.51 H new ATOM 0 HE3 LYS A 52 -14.997 3.474 3.226 1.00 52.51 H new ATOM 0 HZ1 LYS A 52 -16.713 5.467 2.591 1.00 74.45 H new ATOM 0 HZ2 LYS A 52 -15.484 5.570 3.759 1.00 74.45 H new ATOM 0 HZ3 LYS A 52 -15.214 6.156 2.188 1.00 74.45 H new ATOM 289 N GLY A 53 -11.102 8.926 3.155 1.00 44.41 N ATOM 290 CA GLY A 53 -11.235 10.339 3.501 1.00 71.34 C ATOM 291 C GLY A 53 -10.060 10.889 4.310 1.00 42.22 C ATOM 292 O GLY A 53 -10.035 12.077 4.645 1.00 71.14 O ATOM 0 H GLY A 53 -10.571 8.746 2.303 1.00 44.41 H new ATOM 0 HA2 GLY A 53 -11.337 10.920 2.584 1.00 71.34 H new ATOM 0 HA3 GLY A 53 -12.154 10.479 4.071 1.00 71.34 H new ATOM 296 N VAL A 54 -9.085 10.037 4.629 1.00 43.34 N ATOM 297 CA VAL A 54 -7.911 10.460 5.404 1.00 30.04 C ATOM 298 C VAL A 54 -6.883 11.193 4.520 1.00 31.14 C ATOM 299 O VAL A 54 -6.564 10.749 3.415 1.00 23.24 O ATOM 300 CB VAL A 54 -7.234 9.252 6.106 1.00 13.43 C ATOM 301 CG1 VAL A 54 -5.992 9.693 6.879 1.00 52.41 C ATOM 302 CG2 VAL A 54 -8.224 8.548 7.034 1.00 51.32 C ATOM 0 H VAL A 54 -9.082 9.052 4.365 1.00 43.34 H new ATOM 0 HA VAL A 54 -8.268 11.153 6.166 1.00 30.04 H new ATOM 0 HB VAL A 54 -6.919 8.547 5.337 1.00 13.43 H new ATOM 0 HG11 VAL A 54 -5.537 8.828 7.361 1.00 52.41 H new ATOM 0 HG12 VAL A 54 -5.276 10.143 6.191 1.00 52.41 H new ATOM 0 HG13 VAL A 54 -6.275 10.423 7.637 1.00 52.41 H new ATOM 0 HG21 VAL A 54 -7.732 7.704 7.518 1.00 51.32 H new ATOM 0 HG22 VAL A 54 -8.572 9.248 7.793 1.00 51.32 H new ATOM 0 HG23 VAL A 54 -9.074 8.189 6.454 1.00 51.32 H new ATOM 312 N ARG A 55 -6.377 12.325 5.017 1.00 55.44 N ATOM 313 CA ARG A 55 -5.414 13.149 4.274 1.00 1.23 C ATOM 314 C ARG A 55 -3.969 12.646 4.430 1.00 31.24 C ATOM 315 O ARG A 55 -3.648 11.908 5.365 1.00 54.14 O ATOM 316 CB ARG A 55 -5.500 14.610 4.741 1.00 53.41 C ATOM 317 CG ARG A 55 -6.814 15.300 4.386 1.00 61.24 C ATOM 318 CD ARG A 55 -7.016 15.391 2.875 1.00 12.42 C ATOM 319 NE ARG A 55 -8.132 16.268 2.531 1.00 65.35 N ATOM 320 CZ ARG A 55 -8.566 16.476 1.322 1.00 22.21 C ATOM 321 NH1 ARG A 55 -8.074 15.824 0.315 1.00 42.14 N ATOM 322 NH2 ARG A 55 -9.510 17.334 1.124 1.00 34.22 N ATOM 0 H ARG A 55 -6.619 12.695 5.936 1.00 55.44 H new ATOM 0 HA ARG A 55 -5.678 13.076 3.219 1.00 1.23 H new ATOM 0 HB2 ARG A 55 -5.365 14.643 5.822 1.00 53.41 H new ATOM 0 HB3 ARG A 55 -4.676 15.171 4.299 1.00 53.41 H new ATOM 0 HG2 ARG A 55 -7.644 14.752 4.831 1.00 61.24 H new ATOM 0 HG3 ARG A 55 -6.826 16.302 4.815 1.00 61.24 H new ATOM 0 HD2 ARG A 55 -6.104 15.762 2.408 1.00 12.42 H new ATOM 0 HD3 ARG A 55 -7.198 14.395 2.472 1.00 12.42 H new ATOM 0 HE ARG A 55 -8.605 16.752 3.294 1.00 65.35 H new ATOM 0 HH11 ARG A 55 -7.336 15.136 0.464 1.00 42.14 H new ATOM 0 HH12 ARG A 55 -8.425 15.999 -0.627 1.00 42.14 H new ATOM 0 HH21 ARG A 55 -9.910 17.843 1.912 1.00 34.22 H new ATOM 0 HH22 ARG A 55 -9.856 17.503 0.179 1.00 34.22 H new ATOM 336 N TYR A 56 -3.103 13.069 3.509 1.00 1.24 N ATOM 337 CA TYR A 56 -1.689 12.685 3.529 1.00 24.13 C ATOM 338 C TYR A 56 -0.899 13.504 4.566 1.00 75.40 C ATOM 339 O TYR A 56 -0.776 14.728 4.449 1.00 61.14 O ATOM 340 CB TYR A 56 -1.083 12.873 2.132 1.00 3.55 C ATOM 341 CG TYR A 56 0.353 12.388 2.002 1.00 50.24 C ATOM 342 CD1 TYR A 56 0.631 11.050 1.739 1.00 33.32 C ATOM 343 CD2 TYR A 56 1.427 13.263 2.136 1.00 21.21 C ATOM 344 CE1 TYR A 56 1.932 10.602 1.613 1.00 13.35 C ATOM 345 CE2 TYR A 56 2.730 12.821 2.013 1.00 55.51 C ATOM 346 CZ TYR A 56 2.977 11.491 1.751 1.00 62.13 C ATOM 347 OH TYR A 56 4.274 11.049 1.623 1.00 61.30 O ATOM 0 H TYR A 56 -3.357 13.682 2.734 1.00 1.24 H new ATOM 0 HA TYR A 56 -1.624 11.635 3.816 1.00 24.13 H new ATOM 0 HB2 TYR A 56 -1.700 12.343 1.407 1.00 3.55 H new ATOM 0 HB3 TYR A 56 -1.122 13.931 1.871 1.00 3.55 H new ATOM 0 HD1 TYR A 56 -0.184 10.350 1.632 1.00 33.32 H new ATOM 0 HD2 TYR A 56 1.238 14.307 2.340 1.00 21.21 H new ATOM 0 HE1 TYR A 56 2.130 9.560 1.407 1.00 13.35 H new ATOM 0 HE2 TYR A 56 3.551 13.514 2.122 1.00 55.51 H new ATOM 0 HH TYR A 56 4.871 11.817 1.507 1.00 61.30 H new ATOM 357 N ARG A 57 -0.368 12.820 5.571 1.00 42.32 N ATOM 358 CA ARG A 57 0.430 13.455 6.629 1.00 65.52 C ATOM 359 C ARG A 57 1.783 12.748 6.784 1.00 34.32 C ATOM 360 O ARG A 57 1.888 11.711 7.436 1.00 62.24 O ATOM 361 CB ARG A 57 -0.353 13.435 7.952 1.00 24.25 C ATOM 362 CG ARG A 57 0.402 13.996 9.157 1.00 31.22 C ATOM 363 CD ARG A 57 -0.481 13.998 10.404 1.00 24.22 C ATOM 364 NE ARG A 57 0.256 14.313 11.628 1.00 51.11 N ATOM 365 CZ ARG A 57 -0.284 14.320 12.817 1.00 53.14 C ATOM 366 NH1 ARG A 57 -1.558 14.156 12.966 1.00 22.33 N ATOM 367 NH2 ARG A 57 0.449 14.526 13.859 1.00 70.44 N ATOM 0 H ARG A 57 -0.474 11.812 5.682 1.00 42.32 H new ATOM 0 HA ARG A 57 0.625 14.491 6.353 1.00 65.52 H new ATOM 0 HB2 ARG A 57 -1.273 14.005 7.821 1.00 24.25 H new ATOM 0 HB3 ARG A 57 -0.643 12.407 8.170 1.00 24.25 H new ATOM 0 HG2 ARG A 57 1.296 13.399 9.341 1.00 31.22 H new ATOM 0 HG3 ARG A 57 0.735 15.011 8.941 1.00 31.22 H new ATOM 0 HD2 ARG A 57 -1.283 14.724 10.273 1.00 24.22 H new ATOM 0 HD3 ARG A 57 -0.951 13.020 10.511 1.00 24.22 H new ATOM 0 HE ARG A 57 1.247 14.540 11.548 1.00 51.11 H new ATOM 0 HH11 ARG A 57 -2.154 14.019 12.149 1.00 22.33 H new ATOM 0 HH12 ARG A 57 -1.967 14.164 13.900 1.00 22.33 H new ATOM 0 HH21 ARG A 57 1.451 14.684 13.754 1.00 70.44 H new ATOM 0 HH22 ARG A 57 0.026 14.531 14.787 1.00 70.44 H new ATOM 381 N LEU A 58 2.814 13.312 6.157 1.00 0.31 N ATOM 382 CA LEU A 58 4.153 12.715 6.164 1.00 21.12 C ATOM 383 C LEU A 58 4.814 12.821 7.548 1.00 70.10 C ATOM 384 O LEU A 58 5.251 13.896 7.962 1.00 30.04 O ATOM 385 CB LEU A 58 5.034 13.389 5.101 1.00 71.02 C ATOM 386 CG LEU A 58 6.424 12.761 4.902 1.00 65.52 C ATOM 387 CD1 LEU A 58 6.303 11.301 4.473 1.00 53.34 C ATOM 388 CD2 LEU A 58 7.232 13.558 3.879 1.00 24.32 C ATOM 0 H LEU A 58 2.749 14.186 5.635 1.00 0.31 H new ATOM 0 HA LEU A 58 4.049 11.656 5.928 1.00 21.12 H new ATOM 0 HB2 LEU A 58 4.505 13.368 4.148 1.00 71.02 H new ATOM 0 HB3 LEU A 58 5.163 14.437 5.371 1.00 71.02 H new ATOM 0 HG LEU A 58 6.951 12.792 5.855 1.00 65.52 H new ATOM 0 HD11 LEU A 58 7.298 10.878 4.338 1.00 53.34 H new ATOM 0 HD12 LEU A 58 5.771 10.739 5.240 1.00 53.34 H new ATOM 0 HD13 LEU A 58 5.754 11.242 3.533 1.00 53.34 H new ATOM 0 HD21 LEU A 58 8.212 13.098 3.752 1.00 24.32 H new ATOM 0 HD22 LEU A 58 6.707 13.562 2.924 1.00 24.32 H new ATOM 0 HD23 LEU A 58 7.354 14.582 4.230 1.00 24.32 H new ATOM 400 N GLY A 59 4.863 11.700 8.268 1.00 44.34 N ATOM 401 CA GLY A 59 5.500 11.668 9.585 1.00 74.53 C ATOM 402 C GLY A 59 4.566 11.163 10.681 1.00 61.33 C ATOM 403 O GLY A 59 4.816 10.125 11.298 1.00 13.34 O ATOM 0 H GLY A 59 4.472 10.808 7.965 1.00 44.34 H new ATOM 0 HA2 GLY A 59 6.381 11.028 9.542 1.00 74.53 H new ATOM 0 HA3 GLY A 59 5.845 12.670 9.841 1.00 74.53 H new ATOM 407 N GLY A 60 3.492 11.906 10.930 1.00 42.12 N ATOM 408 CA GLY A 60 2.515 11.509 11.938 1.00 33.00 C ATOM 409 C GLY A 60 1.502 10.500 11.405 1.00 24.21 C ATOM 410 O GLY A 60 0.542 10.872 10.734 1.00 60.23 O ATOM 0 H GLY A 60 3.277 12.781 10.451 1.00 42.12 H new ATOM 0 HA2 GLY A 60 3.035 11.079 12.794 1.00 33.00 H new ATOM 0 HA3 GLY A 60 1.988 12.393 12.297 1.00 33.00 H new ATOM 414 N SER A 61 1.720 9.222 11.702 1.00 74.01 N ATOM 415 CA SER A 61 0.842 8.151 11.210 1.00 55.02 C ATOM 416 C SER A 61 -0.392 7.961 12.103 1.00 74.32 C ATOM 417 O SER A 61 -0.294 7.420 13.208 1.00 74.14 O ATOM 418 CB SER A 61 1.617 6.828 11.106 1.00 4.14 C ATOM 419 OG SER A 61 2.167 6.440 12.359 1.00 32.22 O ATOM 0 H SER A 61 2.495 8.897 12.280 1.00 74.01 H new ATOM 0 HA SER A 61 0.495 8.449 10.221 1.00 55.02 H new ATOM 0 HB2 SER A 61 0.952 6.045 10.742 1.00 4.14 H new ATOM 0 HB3 SER A 61 2.418 6.932 10.374 1.00 4.14 H new ATOM 0 HG SER A 61 1.482 6.519 13.056 1.00 32.22 H new ATOM 425 N THR A 62 -1.554 8.409 11.624 1.00 34.32 N ATOM 426 CA THR A 62 -2.821 8.240 12.355 1.00 62.23 C ATOM 427 C THR A 62 -4.041 8.298 11.422 1.00 21.51 C ATOM 428 O THR A 62 -3.956 8.778 10.295 1.00 5.52 O ATOM 429 CB THR A 62 -2.991 9.314 13.458 1.00 12.12 C ATOM 430 OG1 THR A 62 -4.293 9.209 14.057 1.00 43.55 O ATOM 431 CG2 THR A 62 -2.794 10.719 12.900 1.00 13.04 C ATOM 0 H THR A 62 -1.649 8.893 10.731 1.00 34.32 H new ATOM 0 HA THR A 62 -2.771 7.252 12.812 1.00 62.23 H new ATOM 0 HB THR A 62 -2.227 9.136 14.215 1.00 12.12 H new ATOM 0 HG1 THR A 62 -4.333 9.778 14.854 1.00 43.55 H new ATOM 0 HG21 THR A 62 -2.920 11.449 13.700 1.00 13.04 H new ATOM 0 HG22 THR A 62 -1.791 10.807 12.483 1.00 13.04 H new ATOM 0 HG23 THR A 62 -3.530 10.907 12.118 1.00 13.04 H new ATOM 439 N LYS A 63 -5.187 7.820 11.910 1.00 22.20 N ATOM 440 CA LYS A 63 -6.435 7.829 11.129 1.00 0.32 C ATOM 441 C LYS A 63 -6.937 9.265 10.883 1.00 72.54 C ATOM 442 O LYS A 63 -7.843 9.497 10.082 1.00 61.42 O ATOM 443 CB LYS A 63 -7.513 7.001 11.852 1.00 30.41 C ATOM 444 CG LYS A 63 -8.771 6.754 11.017 1.00 4.21 C ATOM 445 CD LYS A 63 -9.818 5.944 11.778 1.00 50.12 C ATOM 446 CE LYS A 63 -9.298 4.571 12.186 1.00 44.12 C ATOM 447 NZ LYS A 63 -10.322 3.792 12.930 1.00 71.42 N ATOM 0 H LYS A 63 -5.281 7.420 12.844 1.00 22.20 H new ATOM 0 HA LYS A 63 -6.229 7.380 10.157 1.00 0.32 H new ATOM 0 HB2 LYS A 63 -7.086 6.040 12.140 1.00 30.41 H new ATOM 0 HB3 LYS A 63 -7.795 7.514 12.772 1.00 30.41 H new ATOM 0 HG2 LYS A 63 -9.200 7.710 10.718 1.00 4.21 H new ATOM 0 HG3 LYS A 63 -8.500 6.227 10.102 1.00 4.21 H new ATOM 0 HD2 LYS A 63 -10.124 6.494 12.668 1.00 50.12 H new ATOM 0 HD3 LYS A 63 -10.705 5.825 11.156 1.00 50.12 H new ATOM 0 HE2 LYS A 63 -8.996 4.018 11.297 1.00 44.12 H new ATOM 0 HE3 LYS A 63 -8.409 4.688 12.806 1.00 44.12 H new ATOM 0 HZ1 LYS A 63 -9.867 2.987 13.406 1.00 71.42 H new ATOM 0 HZ2 LYS A 63 -10.775 4.403 13.639 1.00 71.42 H new ATOM 0 HZ3 LYS A 63 -11.041 3.441 12.266 1.00 71.42 H new ATOM 461 N LYS A 64 -6.344 10.226 11.587 1.00 20.35 N ATOM 462 CA LYS A 64 -6.681 11.647 11.419 1.00 21.03 C ATOM 463 C LYS A 64 -5.712 12.325 10.429 1.00 71.21 C ATOM 464 O LYS A 64 -5.692 13.550 10.292 1.00 3.01 O ATOM 465 CB LYS A 64 -6.637 12.372 12.780 1.00 0.10 C ATOM 466 CG LYS A 64 -7.666 11.883 13.811 1.00 3.12 C ATOM 467 CD LYS A 64 -7.437 10.428 14.223 1.00 33.14 C ATOM 468 CE LYS A 64 -8.362 9.988 15.351 1.00 75.11 C ATOM 469 NZ LYS A 64 -7.997 10.609 16.650 1.00 23.02 N ATOM 0 H LYS A 64 -5.622 10.050 12.285 1.00 20.35 H new ATOM 0 HA LYS A 64 -7.691 11.712 11.015 1.00 21.03 H new ATOM 0 HB2 LYS A 64 -5.639 12.258 13.203 1.00 0.10 H new ATOM 0 HB3 LYS A 64 -6.792 13.438 12.612 1.00 0.10 H new ATOM 0 HG2 LYS A 64 -7.620 12.519 14.695 1.00 3.12 H new ATOM 0 HG3 LYS A 64 -8.669 11.986 13.396 1.00 3.12 H new ATOM 0 HD2 LYS A 64 -7.590 9.781 13.359 1.00 33.14 H new ATOM 0 HD3 LYS A 64 -6.401 10.302 14.537 1.00 33.14 H new ATOM 0 HE2 LYS A 64 -9.389 10.252 15.100 1.00 75.11 H new ATOM 0 HE3 LYS A 64 -8.326 8.903 15.446 1.00 75.11 H new ATOM 0 HZ1 LYS A 64 -8.586 10.205 17.406 1.00 23.02 H new ATOM 0 HZ2 LYS A 64 -6.995 10.422 16.855 1.00 23.02 H new ATOM 0 HZ3 LYS A 64 -8.154 11.636 16.600 1.00 23.02 H new ATOM 483 N GLY A 65 -4.925 11.506 9.734 1.00 63.41 N ATOM 484 CA GLY A 65 -3.909 11.999 8.804 1.00 1.20 C ATOM 485 C GLY A 65 -2.682 11.094 8.799 1.00 43.13 C ATOM 486 O GLY A 65 -2.081 10.869 9.848 1.00 43.13 O ATOM 0 H GLY A 65 -4.972 10.489 9.798 1.00 63.41 H new ATOM 0 HA2 GLY A 65 -4.328 12.054 7.799 1.00 1.20 H new ATOM 0 HA3 GLY A 65 -3.617 13.011 9.083 1.00 1.20 H new ATOM 490 N ILE A 66 -2.299 10.567 7.636 1.00 42.53 N ATOM 491 CA ILE A 66 -1.247 9.544 7.584 1.00 72.32 C ATOM 492 C ILE A 66 -0.536 9.490 6.216 1.00 15.12 C ATOM 493 O ILE A 66 -1.109 9.868 5.194 1.00 4.20 O ATOM 494 CB ILE A 66 -1.863 8.163 7.914 1.00 71.25 C ATOM 495 CG1 ILE A 66 -0.779 7.101 8.136 1.00 71.43 C ATOM 496 CG2 ILE A 66 -2.832 7.726 6.813 1.00 24.22 C ATOM 497 CD1 ILE A 66 -1.315 5.830 8.756 1.00 24.40 C ATOM 0 H ILE A 66 -2.692 10.824 6.730 1.00 42.53 H new ATOM 0 HA ILE A 66 -0.491 9.811 8.322 1.00 72.32 H new ATOM 0 HB ILE A 66 -2.420 8.264 8.845 1.00 71.25 H new ATOM 0 HG12 ILE A 66 -0.310 6.863 7.181 1.00 71.43 H new ATOM 0 HG13 ILE A 66 -0.001 7.513 8.779 1.00 71.43 H new ATOM 0 HG21 ILE A 66 -3.254 6.753 7.065 1.00 24.22 H new ATOM 0 HG22 ILE A 66 -3.635 8.457 6.724 1.00 24.22 H new ATOM 0 HG23 ILE A 66 -2.298 7.656 5.865 1.00 24.22 H new ATOM 0 HD11 ILE A 66 -0.500 5.118 8.888 1.00 24.40 H new ATOM 0 HD12 ILE A 66 -1.759 6.057 9.725 1.00 24.40 H new ATOM 0 HD13 ILE A 66 -2.073 5.398 8.102 1.00 24.40 H new ATOM 509 N ASP A 67 0.726 9.050 6.207 1.00 2.12 N ATOM 510 CA ASP A 67 1.475 8.872 4.957 1.00 4.31 C ATOM 511 C ASP A 67 1.356 7.428 4.427 1.00 1.44 C ATOM 512 O ASP A 67 0.712 6.576 5.044 1.00 71.35 O ATOM 513 CB ASP A 67 2.950 9.260 5.151 1.00 62.43 C ATOM 514 CG ASP A 67 3.650 8.448 6.232 1.00 35.04 C ATOM 515 OD1 ASP A 67 3.955 7.264 5.984 1.00 52.51 O ATOM 516 OD2 ASP A 67 3.917 8.995 7.325 1.00 43.24 O ATOM 0 H ASP A 67 1.250 8.811 7.049 1.00 2.12 H new ATOM 0 HA ASP A 67 1.037 9.534 4.210 1.00 4.31 H new ATOM 0 HB2 ASP A 67 3.480 9.129 4.208 1.00 62.43 H new ATOM 0 HB3 ASP A 67 3.010 10.318 5.406 1.00 62.43 H new ATOM 521 N CYS A 68 1.990 7.161 3.284 1.00 52.31 N ATOM 522 CA CYS A 68 1.895 5.849 2.624 1.00 51.31 C ATOM 523 C CYS A 68 2.466 4.711 3.488 1.00 24.33 C ATOM 524 O CYS A 68 1.783 3.718 3.749 1.00 10.22 O ATOM 525 CB CYS A 68 2.615 5.887 1.268 1.00 14.40 C ATOM 526 SG CYS A 68 4.364 6.333 1.368 1.00 4.32 S ATOM 0 H CYS A 68 2.577 7.835 2.792 1.00 52.31 H new ATOM 0 HA CYS A 68 0.835 5.642 2.475 1.00 51.31 H new ATOM 0 HB2 CYS A 68 2.528 4.908 0.796 1.00 14.40 H new ATOM 0 HB3 CYS A 68 2.106 6.600 0.619 1.00 14.40 H new ATOM 0 HG CYS A 68 4.880 6.335 0.175 1.00 4.32 H new ATOM 532 N SER A 69 3.717 4.856 3.930 1.00 5.10 N ATOM 533 CA SER A 69 4.381 3.809 4.727 1.00 1.13 C ATOM 534 C SER A 69 3.651 3.558 6.058 1.00 13.43 C ATOM 535 O SER A 69 3.596 2.426 6.553 1.00 62.42 O ATOM 536 CB SER A 69 5.850 4.171 4.996 1.00 11.35 C ATOM 537 OG SER A 69 5.978 5.322 5.822 1.00 43.04 O ATOM 0 H SER A 69 4.292 5.680 3.754 1.00 5.10 H new ATOM 0 HA SER A 69 4.345 2.891 4.141 1.00 1.13 H new ATOM 0 HB2 SER A 69 6.349 3.327 5.472 1.00 11.35 H new ATOM 0 HB3 SER A 69 6.358 4.348 4.048 1.00 11.35 H new ATOM 0 HG SER A 69 5.166 5.867 5.752 1.00 43.04 H new ATOM 543 N GLY A 70 3.089 4.619 6.633 1.00 23.33 N ATOM 544 CA GLY A 70 2.284 4.476 7.837 1.00 62.20 C ATOM 545 C GLY A 70 0.975 3.745 7.573 1.00 32.13 C ATOM 546 O GLY A 70 0.576 2.869 8.345 1.00 71.44 O ATOM 0 H GLY A 70 3.176 5.575 6.288 1.00 23.33 H new ATOM 0 HA2 GLY A 70 2.855 3.934 8.591 1.00 62.20 H new ATOM 0 HA3 GLY A 70 2.070 5.463 8.248 1.00 62.20 H new ATOM 550 N PHE A 71 0.302 4.110 6.479 1.00 12.42 N ATOM 551 CA PHE A 71 -0.972 3.489 6.097 1.00 12.22 C ATOM 552 C PHE A 71 -0.841 1.970 5.937 1.00 53.32 C ATOM 553 O PHE A 71 -1.615 1.202 6.519 1.00 73.42 O ATOM 554 CB PHE A 71 -1.503 4.112 4.797 1.00 61.35 C ATOM 555 CG PHE A 71 -2.660 3.353 4.193 1.00 71.32 C ATOM 556 CD1 PHE A 71 -3.886 3.287 4.843 1.00 11.01 C ATOM 557 CD2 PHE A 71 -2.517 2.697 2.978 1.00 20.33 C ATOM 558 CE1 PHE A 71 -4.939 2.583 4.294 1.00 53.53 C ATOM 559 CE2 PHE A 71 -3.571 1.993 2.427 1.00 22.04 C ATOM 560 CZ PHE A 71 -4.783 1.937 3.085 1.00 15.10 C ATOM 0 H PHE A 71 0.619 4.837 5.838 1.00 12.42 H new ATOM 0 HA PHE A 71 -1.681 3.678 6.903 1.00 12.22 H new ATOM 0 HB2 PHE A 71 -1.816 5.137 4.996 1.00 61.35 H new ATOM 0 HB3 PHE A 71 -0.692 4.162 4.070 1.00 61.35 H new ATOM 0 HD1 PHE A 71 -4.017 3.792 5.789 1.00 11.01 H new ATOM 0 HD2 PHE A 71 -1.572 2.737 2.457 1.00 20.33 H new ATOM 0 HE1 PHE A 71 -5.886 2.538 4.811 1.00 53.53 H new ATOM 0 HE2 PHE A 71 -3.446 1.487 1.481 1.00 22.04 H new ATOM 0 HZ PHE A 71 -5.608 1.389 2.654 1.00 15.10 H new ATOM 570 N VAL A 72 0.131 1.541 5.140 1.00 42.10 N ATOM 571 CA VAL A 72 0.356 0.116 4.908 1.00 15.01 C ATOM 572 C VAL A 72 0.668 -0.624 6.221 1.00 23.42 C ATOM 573 O VAL A 72 0.151 -1.717 6.462 1.00 41.35 O ATOM 574 CB VAL A 72 1.481 -0.116 3.866 1.00 12.13 C ATOM 575 CG1 VAL A 72 2.796 0.500 4.323 1.00 24.52 C ATOM 576 CG2 VAL A 72 1.651 -1.601 3.572 1.00 50.34 C ATOM 0 H VAL A 72 0.775 2.157 4.644 1.00 42.10 H new ATOM 0 HA VAL A 72 -0.568 -0.296 4.502 1.00 15.01 H new ATOM 0 HB VAL A 72 1.185 0.382 2.943 1.00 12.13 H new ATOM 0 HG11 VAL A 72 3.563 0.319 3.570 1.00 24.52 H new ATOM 0 HG12 VAL A 72 2.667 1.574 4.459 1.00 24.52 H new ATOM 0 HG13 VAL A 72 3.101 0.048 5.267 1.00 24.52 H new ATOM 0 HG21 VAL A 72 2.446 -1.738 2.839 1.00 50.34 H new ATOM 0 HG22 VAL A 72 1.911 -2.126 4.491 1.00 50.34 H new ATOM 0 HG23 VAL A 72 0.718 -2.003 3.176 1.00 50.34 H new ATOM 586 N GLN A 73 1.490 -0.019 7.083 1.00 22.22 N ATOM 587 CA GLN A 73 1.761 -0.588 8.412 1.00 21.24 C ATOM 588 C GLN A 73 0.459 -0.826 9.189 1.00 13.12 C ATOM 589 O GLN A 73 0.183 -1.933 9.654 1.00 70.31 O ATOM 590 CB GLN A 73 2.654 0.351 9.232 1.00 55.53 C ATOM 591 CG GLN A 73 2.874 -0.131 10.667 1.00 71.33 C ATOM 592 CD GLN A 73 3.455 0.931 11.588 1.00 44.43 C ATOM 593 OE1 GLN A 73 3.210 0.924 12.789 1.00 34.43 O ATOM 594 NE2 GLN A 73 4.221 1.853 11.042 1.00 44.32 N ATOM 0 H GLN A 73 1.977 0.856 6.890 1.00 22.22 H new ATOM 0 HA GLN A 73 2.269 -1.540 8.257 1.00 21.24 H new ATOM 0 HB2 GLN A 73 3.620 0.449 8.736 1.00 55.53 H new ATOM 0 HB3 GLN A 73 2.204 1.344 9.253 1.00 55.53 H new ATOM 0 HG2 GLN A 73 1.923 -0.472 11.076 1.00 71.33 H new ATOM 0 HG3 GLN A 73 3.542 -0.992 10.653 1.00 71.33 H new ATOM 0 HE21 GLN A 73 4.407 1.833 10.039 1.00 44.32 H new ATOM 0 HE22 GLN A 73 4.628 2.587 11.622 1.00 44.32 H new ATOM 603 N ARG A 74 -0.331 0.236 9.319 1.00 4.45 N ATOM 604 CA ARG A 74 -1.587 0.191 10.068 1.00 15.42 C ATOM 605 C ARG A 74 -2.528 -0.899 9.535 1.00 2.43 C ATOM 606 O ARG A 74 -2.970 -1.765 10.286 1.00 15.42 O ATOM 607 CB ARG A 74 -2.271 1.560 10.005 1.00 15.33 C ATOM 608 CG ARG A 74 -1.514 2.668 10.733 1.00 65.32 C ATOM 609 CD ARG A 74 -1.573 2.492 12.248 1.00 74.24 C ATOM 610 NE ARG A 74 -2.949 2.546 12.747 1.00 61.31 N ATOM 611 CZ ARG A 74 -3.340 2.055 13.892 1.00 73.01 C ATOM 612 NH1 ARG A 74 -2.495 1.482 14.694 1.00 44.33 N ATOM 613 NH2 ARG A 74 -4.584 2.148 14.237 1.00 61.01 N ATOM 0 H ARG A 74 -0.122 1.148 8.912 1.00 4.45 H new ATOM 0 HA ARG A 74 -1.356 -0.056 11.104 1.00 15.42 H new ATOM 0 HB2 ARG A 74 -2.395 1.845 8.960 1.00 15.33 H new ATOM 0 HB3 ARG A 74 -3.270 1.475 10.433 1.00 15.33 H new ATOM 0 HG2 ARG A 74 -0.474 2.672 10.408 1.00 65.32 H new ATOM 0 HG3 ARG A 74 -1.937 3.636 10.462 1.00 65.32 H new ATOM 0 HD2 ARG A 74 -1.124 1.537 12.521 1.00 74.24 H new ATOM 0 HD3 ARG A 74 -0.981 3.271 12.728 1.00 74.24 H new ATOM 0 HE ARG A 74 -3.650 2.998 12.160 1.00 61.31 H new ATOM 0 HH11 ARG A 74 -1.512 1.411 14.433 1.00 44.33 H new ATOM 0 HH12 ARG A 74 -2.815 1.103 15.585 1.00 44.33 H new ATOM 0 HH21 ARG A 74 -5.253 2.603 13.616 1.00 61.01 H new ATOM 0 HH22 ARG A 74 -4.895 1.766 15.130 1.00 61.01 H new ATOM 627 N THR A 75 -2.813 -0.860 8.235 1.00 71.13 N ATOM 628 CA THR A 75 -3.717 -1.833 7.602 1.00 5.33 C ATOM 629 C THR A 75 -3.303 -3.284 7.899 1.00 64.51 C ATOM 630 O THR A 75 -4.130 -4.111 8.299 1.00 44.40 O ATOM 631 CB THR A 75 -3.776 -1.626 6.067 1.00 4.44 C ATOM 632 OG1 THR A 75 -4.176 -0.281 5.773 1.00 11.44 O ATOM 633 CG2 THR A 75 -4.754 -2.601 5.412 1.00 4.14 C ATOM 0 H THR A 75 -2.432 -0.165 7.593 1.00 71.13 H new ATOM 0 HA THR A 75 -4.704 -1.659 8.030 1.00 5.33 H new ATOM 0 HB THR A 75 -2.781 -1.814 5.664 1.00 4.44 H new ATOM 0 HG1 THR A 75 -3.426 0.327 5.939 1.00 11.44 H new ATOM 0 HG21 THR A 75 -4.772 -2.430 4.336 1.00 4.14 H new ATOM 0 HG22 THR A 75 -4.436 -3.624 5.612 1.00 4.14 H new ATOM 0 HG23 THR A 75 -5.752 -2.445 5.821 1.00 4.14 H new ATOM 641 N PHE A 76 -2.020 -3.585 7.722 1.00 12.04 N ATOM 642 CA PHE A 76 -1.513 -4.946 7.935 1.00 53.42 C ATOM 643 C PHE A 76 -1.503 -5.359 9.420 1.00 14.12 C ATOM 644 O PHE A 76 -1.755 -6.520 9.739 1.00 14.31 O ATOM 645 CB PHE A 76 -0.113 -5.103 7.324 1.00 62.21 C ATOM 646 CG PHE A 76 -0.129 -5.313 5.828 1.00 74.04 C ATOM 647 CD1 PHE A 76 -0.327 -4.249 4.961 1.00 71.11 C ATOM 648 CD2 PHE A 76 0.048 -6.580 5.292 1.00 52.22 C ATOM 649 CE1 PHE A 76 -0.347 -4.445 3.595 1.00 4.25 C ATOM 650 CE2 PHE A 76 0.030 -6.779 3.924 1.00 32.41 C ATOM 651 CZ PHE A 76 -0.168 -5.710 3.075 1.00 22.30 C ATOM 0 H PHE A 76 -1.311 -2.911 7.433 1.00 12.04 H new ATOM 0 HA PHE A 76 -2.205 -5.618 7.427 1.00 53.42 H new ATOM 0 HB2 PHE A 76 0.476 -4.215 7.552 1.00 62.21 H new ATOM 0 HB3 PHE A 76 0.388 -5.948 7.796 1.00 62.21 H new ATOM 0 HD1 PHE A 76 -0.467 -3.255 5.359 1.00 71.11 H new ATOM 0 HD2 PHE A 76 0.202 -7.421 5.951 1.00 52.22 H new ATOM 0 HE1 PHE A 76 -0.503 -3.607 2.932 1.00 4.25 H new ATOM 0 HE2 PHE A 76 0.171 -7.771 3.520 1.00 32.41 H new ATOM 0 HZ PHE A 76 -0.183 -5.863 2.006 1.00 22.30 H new ATOM 661 N ARG A 77 -1.227 -4.425 10.332 1.00 54.35 N ATOM 662 CA ARG A 77 -1.173 -4.766 11.764 1.00 33.42 C ATOM 663 C ARG A 77 -2.581 -4.839 12.389 1.00 33.11 C ATOM 664 O ARG A 77 -2.829 -5.651 13.278 1.00 60.54 O ATOM 665 CB ARG A 77 -0.287 -3.775 12.539 1.00 52.14 C ATOM 666 CG ARG A 77 -0.883 -2.381 12.722 1.00 24.44 C ATOM 667 CD ARG A 77 0.079 -1.452 13.458 1.00 23.22 C ATOM 668 NE ARG A 77 0.527 -2.017 14.733 1.00 71.41 N ATOM 669 CZ ARG A 77 1.555 -1.582 15.412 1.00 74.13 C ATOM 670 NH1 ARG A 77 2.243 -0.572 14.997 1.00 45.23 N ATOM 671 NH2 ARG A 77 1.890 -2.166 16.514 1.00 2.31 N ATOM 0 H ARG A 77 -1.040 -3.446 10.117 1.00 54.35 H new ATOM 0 HA ARG A 77 -0.726 -5.757 11.840 1.00 33.42 H new ATOM 0 HB2 ARG A 77 -0.074 -4.194 13.522 1.00 52.14 H new ATOM 0 HB3 ARG A 77 0.666 -3.680 12.019 1.00 52.14 H new ATOM 0 HG2 ARG A 77 -1.125 -1.957 11.747 1.00 24.44 H new ATOM 0 HG3 ARG A 77 -1.817 -2.454 13.279 1.00 24.44 H new ATOM 0 HD2 ARG A 77 0.945 -1.254 12.826 1.00 23.22 H new ATOM 0 HD3 ARG A 77 -0.410 -0.495 13.639 1.00 23.22 H new ATOM 0 HE ARG A 77 0.001 -2.803 15.116 1.00 71.41 H new ATOM 0 HH11 ARG A 77 1.987 -0.102 14.129 1.00 45.23 H new ATOM 0 HH12 ARG A 77 3.043 -0.243 15.537 1.00 45.23 H new ATOM 0 HH21 ARG A 77 1.353 -2.964 16.852 1.00 2.31 H new ATOM 0 HH22 ARG A 77 2.692 -1.829 17.046 1.00 2.31 H new ATOM 685 N GLU A 78 -3.499 -4.002 11.908 1.00 22.44 N ATOM 686 CA GLU A 78 -4.883 -3.996 12.407 1.00 51.34 C ATOM 687 C GLU A 78 -5.664 -5.233 11.923 1.00 11.44 C ATOM 688 O GLU A 78 -6.536 -5.750 12.628 1.00 72.40 O ATOM 689 CB GLU A 78 -5.610 -2.715 11.957 1.00 22.54 C ATOM 690 CG GLU A 78 -4.991 -1.414 12.481 1.00 34.32 C ATOM 691 CD GLU A 78 -5.202 -1.196 13.974 1.00 10.25 C ATOM 692 OE1 GLU A 78 -4.449 -1.779 14.781 1.00 13.44 O ATOM 693 OE2 GLU A 78 -6.116 -0.426 14.344 1.00 52.43 O ATOM 0 H GLU A 78 -3.315 -3.318 11.174 1.00 22.44 H new ATOM 0 HA GLU A 78 -4.839 -4.025 13.496 1.00 51.34 H new ATOM 0 HB2 GLU A 78 -5.622 -2.683 10.868 1.00 22.54 H new ATOM 0 HB3 GLU A 78 -6.648 -2.767 12.286 1.00 22.54 H new ATOM 0 HG2 GLU A 78 -3.921 -1.420 12.271 1.00 34.32 H new ATOM 0 HG3 GLU A 78 -5.418 -0.573 11.936 1.00 34.32 H new ATOM 700 N GLN A 79 -5.353 -5.700 10.712 1.00 71.30 N ATOM 701 CA GLN A 79 -6.046 -6.858 10.125 1.00 70.41 C ATOM 702 C GLN A 79 -5.219 -8.151 10.206 1.00 70.41 C ATOM 703 O GLN A 79 -5.675 -9.160 10.745 1.00 61.55 O ATOM 704 CB GLN A 79 -6.412 -6.575 8.661 1.00 71.11 C ATOM 705 CG GLN A 79 -7.462 -5.482 8.486 1.00 3.11 C ATOM 706 CD GLN A 79 -8.798 -5.840 9.117 1.00 41.33 C ATOM 707 OE1 GLN A 79 -9.162 -7.009 9.218 1.00 44.41 O ATOM 708 NE2 GLN A 79 -9.542 -4.841 9.547 1.00 53.22 N ATOM 0 H GLN A 79 -4.628 -5.298 10.117 1.00 71.30 H new ATOM 0 HA GLN A 79 -6.950 -7.010 10.714 1.00 70.41 H new ATOM 0 HB2 GLN A 79 -5.510 -6.289 8.120 1.00 71.11 H new ATOM 0 HB3 GLN A 79 -6.779 -7.494 8.204 1.00 71.11 H new ATOM 0 HG2 GLN A 79 -7.093 -4.557 8.928 1.00 3.11 H new ATOM 0 HG3 GLN A 79 -7.607 -5.291 7.423 1.00 3.11 H new ATOM 0 HE21 GLN A 79 -9.212 -3.881 9.449 1.00 53.22 H new ATOM 0 HE22 GLN A 79 -10.447 -5.028 9.978 1.00 53.22 H new ATOM 717 N PHE A 80 -4.009 -8.130 9.653 1.00 70.31 N ATOM 718 CA PHE A 80 -3.171 -9.338 9.574 1.00 54.34 C ATOM 719 C PHE A 80 -2.220 -9.472 10.777 1.00 23.00 C ATOM 720 O PHE A 80 -1.491 -10.460 10.893 1.00 73.40 O ATOM 721 CB PHE A 80 -2.365 -9.322 8.269 1.00 15.34 C ATOM 722 CG PHE A 80 -3.225 -9.208 7.031 1.00 4.14 C ATOM 723 CD1 PHE A 80 -3.862 -10.325 6.506 1.00 32.34 C ATOM 724 CD2 PHE A 80 -3.399 -7.987 6.397 1.00 53.31 C ATOM 725 CE1 PHE A 80 -4.652 -10.221 5.375 1.00 73.32 C ATOM 726 CE2 PHE A 80 -4.186 -7.878 5.267 1.00 2.12 C ATOM 727 CZ PHE A 80 -4.812 -8.997 4.756 1.00 33.42 C ATOM 0 H PHE A 80 -3.582 -7.295 9.252 1.00 70.31 H new ATOM 0 HA PHE A 80 -3.837 -10.201 9.592 1.00 54.34 H new ATOM 0 HB2 PHE A 80 -1.665 -8.487 8.294 1.00 15.34 H new ATOM 0 HB3 PHE A 80 -1.771 -10.234 8.207 1.00 15.34 H new ATOM 0 HD1 PHE A 80 -3.739 -11.285 6.986 1.00 32.34 H new ATOM 0 HD2 PHE A 80 -2.912 -7.108 6.793 1.00 53.31 H new ATOM 0 HE1 PHE A 80 -5.143 -11.096 4.977 1.00 73.32 H new ATOM 0 HE2 PHE A 80 -4.311 -6.920 4.785 1.00 2.12 H new ATOM 0 HZ PHE A 80 -5.427 -8.915 3.872 1.00 33.42 H new ATOM 737 N GLY A 81 -2.228 -8.472 11.660 1.00 51.15 N ATOM 738 CA GLY A 81 -1.356 -8.484 12.833 1.00 1.25 C ATOM 739 C GLY A 81 0.128 -8.454 12.474 1.00 61.04 C ATOM 740 O GLY A 81 0.980 -8.860 13.269 1.00 74.51 O ATOM 0 H GLY A 81 -2.825 -7.649 11.585 1.00 51.15 H new ATOM 0 HA2 GLY A 81 -1.590 -7.624 13.461 1.00 1.25 H new ATOM 0 HA3 GLY A 81 -1.563 -9.376 13.424 1.00 1.25 H new ATOM 744 N LEU A 82 0.440 -7.962 11.277 1.00 33.41 N ATOM 745 CA LEU A 82 1.815 -7.971 10.766 1.00 21.22 C ATOM 746 C LEU A 82 2.603 -6.730 11.214 1.00 11.30 C ATOM 747 O LEU A 82 2.143 -5.596 11.071 1.00 2.12 O ATOM 748 CB LEU A 82 1.796 -8.065 9.233 1.00 43.34 C ATOM 749 CG LEU A 82 3.175 -8.179 8.562 1.00 64.21 C ATOM 750 CD1 LEU A 82 3.925 -9.413 9.063 1.00 74.31 C ATOM 751 CD2 LEU A 82 3.025 -8.219 7.045 1.00 11.05 C ATOM 0 H LEU A 82 -0.241 -7.550 10.639 1.00 33.41 H new ATOM 0 HA LEU A 82 2.321 -8.843 11.181 1.00 21.22 H new ATOM 0 HB2 LEU A 82 1.199 -8.931 8.946 1.00 43.34 H new ATOM 0 HB3 LEU A 82 1.290 -7.184 8.838 1.00 43.34 H new ATOM 0 HG LEU A 82 3.760 -7.299 8.829 1.00 64.21 H new ATOM 0 HD11 LEU A 82 4.897 -9.471 8.574 1.00 74.31 H new ATOM 0 HD12 LEU A 82 4.065 -9.341 10.141 1.00 74.31 H new ATOM 0 HD13 LEU A 82 3.348 -10.308 8.832 1.00 74.31 H new ATOM 0 HD21 LEU A 82 4.009 -8.300 6.584 1.00 11.05 H new ATOM 0 HD22 LEU A 82 2.420 -9.080 6.762 1.00 11.05 H new ATOM 0 HD23 LEU A 82 2.538 -7.306 6.703 1.00 11.05 H new ATOM 763 N GLU A 83 3.800 -6.957 11.753 1.00 42.33 N ATOM 764 CA GLU A 83 4.658 -5.867 12.232 1.00 34.13 C ATOM 765 C GLU A 83 5.457 -5.232 11.082 1.00 65.41 C ATOM 766 O GLU A 83 6.460 -5.790 10.627 1.00 2.25 O ATOM 767 CB GLU A 83 5.627 -6.385 13.305 1.00 42.41 C ATOM 768 CG GLU A 83 4.944 -7.090 14.472 1.00 64.10 C ATOM 769 CD GLU A 83 5.931 -7.550 15.534 1.00 35.23 C ATOM 770 OE1 GLU A 83 6.556 -8.617 15.351 1.00 74.41 O ATOM 771 OE2 GLU A 83 6.093 -6.843 16.554 1.00 61.20 O ATOM 0 H GLU A 83 4.201 -7.887 11.870 1.00 42.33 H new ATOM 0 HA GLU A 83 4.010 -5.103 12.662 1.00 34.13 H new ATOM 0 HB2 GLU A 83 6.332 -7.074 12.840 1.00 42.41 H new ATOM 0 HB3 GLU A 83 6.208 -5.547 13.690 1.00 42.41 H new ATOM 0 HG2 GLU A 83 4.217 -6.415 14.924 1.00 64.10 H new ATOM 0 HG3 GLU A 83 4.390 -7.951 14.098 1.00 64.10 H new ATOM 778 N LEU A 84 5.002 -4.075 10.605 1.00 4.14 N ATOM 779 CA LEU A 84 5.706 -3.338 9.547 1.00 23.44 C ATOM 780 C LEU A 84 6.295 -2.022 10.082 1.00 51.40 C ATOM 781 O LEU A 84 5.667 -1.333 10.885 1.00 35.42 O ATOM 782 CB LEU A 84 4.755 -3.046 8.376 1.00 40.11 C ATOM 783 CG LEU A 84 4.234 -4.282 7.625 1.00 42.52 C ATOM 784 CD1 LEU A 84 3.310 -3.867 6.483 1.00 62.50 C ATOM 785 CD2 LEU A 84 5.397 -5.124 7.098 1.00 3.41 C ATOM 0 H LEU A 84 4.148 -3.624 10.932 1.00 4.14 H new ATOM 0 HA LEU A 84 6.527 -3.963 9.196 1.00 23.44 H new ATOM 0 HB2 LEU A 84 3.901 -2.486 8.755 1.00 40.11 H new ATOM 0 HB3 LEU A 84 5.270 -2.400 7.665 1.00 40.11 H new ATOM 0 HG LEU A 84 3.662 -4.891 8.325 1.00 42.52 H new ATOM 0 HD11 LEU A 84 2.952 -4.756 5.964 1.00 62.50 H new ATOM 0 HD12 LEU A 84 2.461 -3.314 6.885 1.00 62.50 H new ATOM 0 HD13 LEU A 84 3.857 -3.234 5.784 1.00 62.50 H new ATOM 0 HD21 LEU A 84 5.006 -5.994 6.570 1.00 3.41 H new ATOM 0 HD22 LEU A 84 6.000 -4.525 6.415 1.00 3.41 H new ATOM 0 HD23 LEU A 84 6.015 -5.454 7.933 1.00 3.41 H new ATOM 797 N PRO A 85 7.518 -1.659 9.657 1.00 21.51 N ATOM 798 CA PRO A 85 8.144 -0.385 10.052 1.00 54.53 C ATOM 799 C PRO A 85 7.484 0.835 9.384 1.00 52.43 C ATOM 800 O PRO A 85 6.987 0.748 8.260 1.00 21.51 O ATOM 801 CB PRO A 85 9.590 -0.538 9.569 1.00 13.11 C ATOM 802 CG PRO A 85 9.515 -1.512 8.440 1.00 51.32 C ATOM 803 CD PRO A 85 8.397 -2.461 8.780 1.00 3.35 C ATOM 0 HA PRO A 85 8.049 -0.204 11.123 1.00 54.53 H new ATOM 0 HB2 PRO A 85 10.000 0.417 9.241 1.00 13.11 H new ATOM 0 HB3 PRO A 85 10.236 -0.906 10.366 1.00 13.11 H new ATOM 0 HG2 PRO A 85 9.319 -1.001 7.497 1.00 51.32 H new ATOM 0 HG3 PRO A 85 10.458 -2.046 8.323 1.00 51.32 H new ATOM 0 HD2 PRO A 85 7.872 -2.799 7.887 1.00 3.35 H new ATOM 0 HD3 PRO A 85 8.767 -3.351 9.289 1.00 3.35 H new ATOM 811 N ARG A 86 7.486 1.975 10.073 1.00 62.41 N ATOM 812 CA ARG A 86 6.938 3.214 9.506 1.00 53.01 C ATOM 813 C ARG A 86 7.994 3.906 8.619 1.00 22.03 C ATOM 814 O ARG A 86 8.500 4.980 8.945 1.00 64.32 O ATOM 815 CB ARG A 86 6.455 4.146 10.638 1.00 71.53 C ATOM 816 CG ARG A 86 5.295 5.083 10.264 1.00 43.43 C ATOM 817 CD ARG A 86 5.698 6.170 9.271 1.00 65.32 C ATOM 818 NE ARG A 86 6.846 6.936 9.748 1.00 21.33 N ATOM 819 CZ ARG A 86 7.169 8.125 9.328 1.00 23.41 C ATOM 820 NH1 ARG A 86 6.422 8.763 8.480 1.00 61.34 N ATOM 821 NH2 ARG A 86 8.245 8.678 9.780 1.00 74.04 N ATOM 0 H ARG A 86 7.857 2.070 11.018 1.00 62.41 H new ATOM 0 HA ARG A 86 6.080 2.974 8.879 1.00 53.01 H new ATOM 0 HB2 ARG A 86 6.147 3.533 11.485 1.00 71.53 H new ATOM 0 HB3 ARG A 86 7.297 4.752 10.972 1.00 71.53 H new ATOM 0 HG2 ARG A 86 4.483 4.494 9.838 1.00 43.43 H new ATOM 0 HG3 ARG A 86 4.908 5.552 11.169 1.00 43.43 H new ATOM 0 HD2 ARG A 86 5.938 5.715 8.310 1.00 65.32 H new ATOM 0 HD3 ARG A 86 4.856 6.842 9.104 1.00 65.32 H new ATOM 0 HE ARG A 86 7.437 6.509 10.461 1.00 21.33 H new ATOM 0 HH11 ARG A 86 5.565 8.333 8.131 1.00 61.34 H new ATOM 0 HH12 ARG A 86 6.692 9.694 8.162 1.00 61.34 H new ATOM 0 HH21 ARG A 86 8.827 8.183 10.456 1.00 74.04 H new ATOM 0 HH22 ARG A 86 8.512 9.609 9.461 1.00 74.04 H new ATOM 835 N SER A 87 8.353 3.241 7.525 1.00 23.45 N ATOM 836 CA SER A 87 9.296 3.789 6.534 1.00 74.55 C ATOM 837 C SER A 87 9.350 2.912 5.286 1.00 21.10 C ATOM 838 O SER A 87 9.705 1.736 5.367 1.00 43.22 O ATOM 839 CB SER A 87 10.711 3.909 7.112 1.00 42.14 C ATOM 840 OG SER A 87 11.664 4.146 6.082 1.00 72.15 O ATOM 0 H SER A 87 8.005 2.311 7.294 1.00 23.45 H new ATOM 0 HA SER A 87 8.932 4.782 6.269 1.00 74.55 H new ATOM 0 HB2 SER A 87 10.744 4.722 7.837 1.00 42.14 H new ATOM 0 HB3 SER A 87 10.968 2.995 7.647 1.00 42.14 H new ATOM 0 HG SER A 87 12.559 4.220 6.475 1.00 72.15 H new ATOM 846 N THR A 88 9.013 3.490 4.133 1.00 41.23 N ATOM 847 CA THR A 88 9.050 2.759 2.860 1.00 12.45 C ATOM 848 C THR A 88 10.412 2.084 2.653 1.00 22.40 C ATOM 849 O THR A 88 10.489 0.930 2.232 1.00 52.32 O ATOM 850 CB THR A 88 8.767 3.694 1.656 1.00 23.40 C ATOM 851 OG1 THR A 88 7.516 4.374 1.841 1.00 73.22 O ATOM 852 CG2 THR A 88 8.732 2.913 0.344 1.00 62.02 C ATOM 0 H THR A 88 8.711 4.461 4.051 1.00 41.23 H new ATOM 0 HA THR A 88 8.269 2.000 2.911 1.00 12.45 H new ATOM 0 HB THR A 88 9.576 4.423 1.603 1.00 23.40 H new ATOM 0 HG1 THR A 88 7.348 4.963 1.076 1.00 73.22 H new ATOM 0 HG21 THR A 88 8.532 3.597 -0.481 1.00 62.02 H new ATOM 0 HG22 THR A 88 9.694 2.425 0.185 1.00 62.02 H new ATOM 0 HG23 THR A 88 7.946 2.159 0.390 1.00 62.02 H new ATOM 860 N TYR A 89 11.482 2.803 2.991 1.00 50.24 N ATOM 861 CA TYR A 89 12.845 2.285 2.840 1.00 34.32 C ATOM 862 C TYR A 89 13.059 1.021 3.686 1.00 52.45 C ATOM 863 O TYR A 89 13.587 0.020 3.202 1.00 53.12 O ATOM 864 CB TYR A 89 13.871 3.363 3.224 1.00 31.34 C ATOM 865 CG TYR A 89 13.922 4.526 2.247 1.00 40.11 C ATOM 866 CD1 TYR A 89 13.022 5.584 2.334 1.00 51.43 C ATOM 867 CD2 TYR A 89 14.865 4.555 1.227 1.00 2.25 C ATOM 868 CE1 TYR A 89 13.065 6.634 1.436 1.00 14.44 C ATOM 869 CE2 TYR A 89 14.913 5.600 0.325 1.00 70.45 C ATOM 870 CZ TYR A 89 14.011 6.637 0.435 1.00 3.54 C ATOM 871 OH TYR A 89 14.053 7.677 -0.474 1.00 61.44 O ATOM 0 H TYR A 89 11.433 3.748 3.372 1.00 50.24 H new ATOM 0 HA TYR A 89 12.987 2.016 1.793 1.00 34.32 H new ATOM 0 HB2 TYR A 89 13.632 3.743 4.217 1.00 31.34 H new ATOM 0 HB3 TYR A 89 14.859 2.907 3.286 1.00 31.34 H new ATOM 0 HD1 TYR A 89 12.277 5.585 3.116 1.00 51.43 H new ATOM 0 HD2 TYR A 89 15.574 3.745 1.138 1.00 2.25 H new ATOM 0 HE1 TYR A 89 12.360 7.448 1.519 1.00 14.44 H new ATOM 0 HE2 TYR A 89 15.653 5.605 -0.462 1.00 70.45 H new ATOM 0 HH TYR A 89 14.925 8.121 -0.423 1.00 61.44 H new ATOM 881 N GLU A 90 12.627 1.072 4.942 1.00 60.01 N ATOM 882 CA GLU A 90 12.722 -0.085 5.841 1.00 42.42 C ATOM 883 C GLU A 90 11.838 -1.250 5.351 1.00 74.02 C ATOM 884 O GLU A 90 12.219 -2.417 5.446 1.00 41.22 O ATOM 885 CB GLU A 90 12.305 0.323 7.261 1.00 72.31 C ATOM 886 CG GLU A 90 13.166 1.421 7.882 1.00 25.23 C ATOM 887 CD GLU A 90 14.580 0.966 8.209 1.00 34.44 C ATOM 888 OE1 GLU A 90 14.787 0.392 9.301 1.00 11.14 O ATOM 889 OE2 GLU A 90 15.495 1.197 7.394 1.00 65.23 O ATOM 0 H GLU A 90 12.207 1.900 5.365 1.00 60.01 H new ATOM 0 HA GLU A 90 13.758 -0.425 5.847 1.00 42.42 H new ATOM 0 HB2 GLU A 90 11.269 0.660 7.239 1.00 72.31 H new ATOM 0 HB3 GLU A 90 12.341 -0.557 7.904 1.00 72.31 H new ATOM 0 HG2 GLU A 90 13.214 2.267 7.196 1.00 25.23 H new ATOM 0 HG3 GLU A 90 12.686 1.777 8.794 1.00 25.23 H new ATOM 896 N GLN A 91 10.661 -0.921 4.815 1.00 54.52 N ATOM 897 CA GLN A 91 9.702 -1.934 4.347 1.00 34.31 C ATOM 898 C GLN A 91 10.228 -2.705 3.124 1.00 65.42 C ATOM 899 O GLN A 91 9.989 -3.906 2.993 1.00 41.22 O ATOM 900 CB GLN A 91 8.355 -1.270 4.028 1.00 74.33 C ATOM 901 CG GLN A 91 7.739 -0.568 5.234 1.00 71.43 C ATOM 902 CD GLN A 91 6.470 0.200 4.904 1.00 14.22 C ATOM 903 OE1 GLN A 91 6.276 0.660 3.786 1.00 32.34 O ATOM 904 NE2 GLN A 91 5.611 0.371 5.889 1.00 62.42 N ATOM 0 H GLN A 91 10.345 0.041 4.692 1.00 54.52 H new ATOM 0 HA GLN A 91 9.566 -2.660 5.149 1.00 34.31 H new ATOM 0 HB2 GLN A 91 8.493 -0.547 3.224 1.00 74.33 H new ATOM 0 HB3 GLN A 91 7.661 -2.026 3.660 1.00 74.33 H new ATOM 0 HG2 GLN A 91 7.517 -1.309 6.002 1.00 71.43 H new ATOM 0 HG3 GLN A 91 8.471 0.120 5.657 1.00 71.43 H new ATOM 0 HE21 GLN A 91 5.804 -0.026 6.809 1.00 62.42 H new ATOM 0 HE22 GLN A 91 4.753 0.900 5.732 1.00 62.42 H new ATOM 913 N GLN A 92 10.950 -2.014 2.239 1.00 74.23 N ATOM 914 CA GLN A 92 11.566 -2.655 1.066 1.00 51.31 C ATOM 915 C GLN A 92 12.420 -3.868 1.469 1.00 12.12 C ATOM 916 O GLN A 92 12.222 -4.978 0.982 1.00 54.03 O ATOM 917 CB GLN A 92 12.453 -1.656 0.314 1.00 3.13 C ATOM 918 CG GLN A 92 11.712 -0.441 -0.230 1.00 64.21 C ATOM 919 CD GLN A 92 12.637 0.567 -0.897 1.00 23.13 C ATOM 920 OE1 GLN A 92 12.250 1.253 -1.834 1.00 24.24 O ATOM 921 NE2 GLN A 92 13.863 0.674 -0.415 1.00 72.05 N ATOM 0 H GLN A 92 11.125 -1.011 2.309 1.00 74.23 H new ATOM 0 HA GLN A 92 10.755 -2.993 0.421 1.00 51.31 H new ATOM 0 HB2 GLN A 92 13.243 -1.315 0.983 1.00 3.13 H new ATOM 0 HB3 GLN A 92 12.938 -2.172 -0.515 1.00 3.13 H new ATOM 0 HG2 GLN A 92 10.963 -0.771 -0.950 1.00 64.21 H new ATOM 0 HG3 GLN A 92 11.178 0.047 0.585 1.00 64.21 H new ATOM 0 HE21 GLN A 92 14.157 0.088 0.367 1.00 72.05 H new ATOM 0 HE22 GLN A 92 14.516 1.342 -0.825 1.00 72.05 H new ATOM 930 N GLU A 93 13.367 -3.639 2.368 1.00 11.32 N ATOM 931 CA GLU A 93 14.293 -4.687 2.815 1.00 3.21 C ATOM 932 C GLU A 93 13.636 -5.679 3.799 1.00 14.14 C ATOM 933 O GLU A 93 14.278 -6.620 4.267 1.00 65.41 O ATOM 934 CB GLU A 93 15.548 -4.042 3.427 1.00 35.21 C ATOM 935 CG GLU A 93 15.252 -2.938 4.440 1.00 34.01 C ATOM 936 CD GLU A 93 16.502 -2.187 4.870 1.00 11.44 C ATOM 937 OE1 GLU A 93 16.934 -1.273 4.133 1.00 72.21 O ATOM 938 OE2 GLU A 93 17.064 -2.502 5.937 1.00 34.32 O ATOM 0 H GLU A 93 13.520 -2.732 2.809 1.00 11.32 H new ATOM 0 HA GLU A 93 14.580 -5.273 1.942 1.00 3.21 H new ATOM 0 HB2 GLU A 93 16.141 -4.817 3.913 1.00 35.21 H new ATOM 0 HB3 GLU A 93 16.159 -3.629 2.624 1.00 35.21 H new ATOM 0 HG2 GLU A 93 14.541 -2.234 4.007 1.00 34.01 H new ATOM 0 HG3 GLU A 93 14.775 -3.374 5.318 1.00 34.01 H new ATOM 945 N MET A 94 12.351 -5.474 4.091 1.00 2.23 N ATOM 946 CA MET A 94 11.572 -6.423 4.905 1.00 63.14 C ATOM 947 C MET A 94 10.855 -7.462 4.023 1.00 32.42 C ATOM 948 O MET A 94 10.362 -8.478 4.521 1.00 70.15 O ATOM 949 CB MET A 94 10.544 -5.674 5.767 1.00 24.44 C ATOM 950 CG MET A 94 11.158 -4.897 6.928 1.00 10.45 C ATOM 951 SD MET A 94 11.859 -5.973 8.196 1.00 65.20 S ATOM 952 CE MET A 94 10.395 -6.833 8.768 1.00 52.12 C ATOM 0 H MET A 94 11.822 -4.660 3.778 1.00 2.23 H new ATOM 0 HA MET A 94 12.270 -6.950 5.555 1.00 63.14 H new ATOM 0 HB2 MET A 94 9.989 -4.982 5.134 1.00 24.44 H new ATOM 0 HB3 MET A 94 9.825 -6.391 6.163 1.00 24.44 H new ATOM 0 HG2 MET A 94 11.937 -4.237 6.546 1.00 10.45 H new ATOM 0 HG3 MET A 94 10.395 -4.262 7.378 1.00 10.45 H new ATOM 0 HE1 MET A 94 10.577 -7.238 9.764 1.00 52.12 H new ATOM 0 HE2 MET A 94 9.556 -6.138 8.806 1.00 52.12 H new ATOM 0 HE3 MET A 94 10.160 -7.647 8.083 1.00 52.12 H new ATOM 962 N GLY A 95 10.800 -7.208 2.714 1.00 41.43 N ATOM 963 CA GLY A 95 10.121 -8.121 1.796 1.00 33.53 C ATOM 964 C GLY A 95 10.908 -8.396 0.516 1.00 55.34 C ATOM 965 O GLY A 95 11.746 -7.591 0.104 1.00 12.00 O ATOM 0 H GLY A 95 11.213 -6.387 2.271 1.00 41.43 H new ATOM 0 HA2 GLY A 95 9.934 -9.065 2.308 1.00 33.53 H new ATOM 0 HA3 GLY A 95 9.149 -7.703 1.533 1.00 33.53 H new ATOM 969 N LYS A 96 10.636 -9.536 -0.121 1.00 33.33 N ATOM 970 CA LYS A 96 11.303 -9.908 -1.375 1.00 71.24 C ATOM 971 C LYS A 96 10.475 -9.484 -2.596 1.00 62.23 C ATOM 972 O LYS A 96 9.246 -9.395 -2.528 1.00 4.03 O ATOM 973 CB LYS A 96 11.570 -11.419 -1.416 1.00 15.40 C ATOM 974 CG LYS A 96 12.460 -11.914 -0.280 1.00 31.13 C ATOM 975 CD LYS A 96 13.823 -11.223 -0.280 1.00 21.00 C ATOM 976 CE LYS A 96 14.680 -11.663 0.901 1.00 24.50 C ATOM 977 NZ LYS A 96 14.966 -13.122 0.874 1.00 23.42 N ATOM 0 H LYS A 96 9.957 -10.221 0.210 1.00 33.33 H new ATOM 0 HA LYS A 96 12.256 -9.379 -1.412 1.00 71.24 H new ATOM 0 HB2 LYS A 96 10.618 -11.949 -1.378 1.00 15.40 H new ATOM 0 HB3 LYS A 96 12.037 -11.671 -2.368 1.00 15.40 H new ATOM 0 HG2 LYS A 96 11.963 -11.736 0.674 1.00 31.13 H new ATOM 0 HG3 LYS A 96 12.599 -12.991 -0.371 1.00 31.13 H new ATOM 0 HD2 LYS A 96 14.344 -11.447 -1.211 1.00 21.00 H new ATOM 0 HD3 LYS A 96 13.683 -10.143 -0.245 1.00 21.00 H new ATOM 0 HE2 LYS A 96 15.619 -11.110 0.892 1.00 24.50 H new ATOM 0 HE3 LYS A 96 14.171 -11.411 1.831 1.00 24.50 H new ATOM 0 HZ1 LYS A 96 15.659 -13.354 1.614 1.00 23.42 H new ATOM 0 HZ2 LYS A 96 14.087 -13.651 1.045 1.00 23.42 H new ATOM 0 HZ3 LYS A 96 15.352 -13.383 -0.056 1.00 23.42 H new ATOM 991 N SER A 97 11.159 -9.246 -3.709 1.00 22.52 N ATOM 992 CA SER A 97 10.533 -8.674 -4.910 1.00 24.24 C ATOM 993 C SER A 97 9.855 -9.731 -5.801 1.00 20.22 C ATOM 994 O SER A 97 10.182 -10.919 -5.752 1.00 30.21 O ATOM 995 CB SER A 97 11.575 -7.902 -5.735 1.00 21.34 C ATOM 996 OG SER A 97 12.642 -8.744 -6.145 1.00 34.12 O ATOM 0 H SER A 97 12.155 -9.440 -3.811 1.00 22.52 H new ATOM 0 HA SER A 97 9.752 -7.999 -4.559 1.00 24.24 H new ATOM 0 HB2 SER A 97 11.096 -7.467 -6.612 1.00 21.34 H new ATOM 0 HB3 SER A 97 11.969 -7.075 -5.144 1.00 21.34 H new ATOM 0 HG SER A 97 13.287 -8.224 -6.669 1.00 34.12 H new ATOM 1002 N VAL A 98 8.897 -9.266 -6.611 1.00 13.24 N ATOM 1003 CA VAL A 98 8.177 -10.108 -7.581 1.00 53.01 C ATOM 1004 C VAL A 98 7.874 -9.339 -8.883 1.00 73.14 C ATOM 1005 O VAL A 98 7.847 -8.104 -8.900 1.00 63.03 O ATOM 1006 CB VAL A 98 6.845 -10.659 -6.995 1.00 22.21 C ATOM 1007 CG1 VAL A 98 7.060 -12.013 -6.322 1.00 12.34 C ATOM 1008 CG2 VAL A 98 6.230 -9.665 -6.010 1.00 64.31 C ATOM 0 H VAL A 98 8.596 -8.291 -6.614 1.00 13.24 H new ATOM 0 HA VAL A 98 8.837 -10.946 -7.805 1.00 53.01 H new ATOM 0 HB VAL A 98 6.150 -10.797 -7.823 1.00 22.21 H new ATOM 0 HG11 VAL A 98 6.113 -12.375 -5.921 1.00 12.34 H new ATOM 0 HG12 VAL A 98 7.441 -12.726 -7.053 1.00 12.34 H new ATOM 0 HG13 VAL A 98 7.780 -11.906 -5.511 1.00 12.34 H new ATOM 0 HG21 VAL A 98 5.300 -10.073 -5.614 1.00 64.31 H new ATOM 0 HG22 VAL A 98 6.926 -9.487 -5.190 1.00 64.31 H new ATOM 0 HG23 VAL A 98 6.025 -8.725 -6.522 1.00 64.31 H new ATOM 1018 N SER A 99 7.648 -10.080 -9.972 1.00 52.31 N ATOM 1019 CA SER A 99 7.359 -9.481 -11.289 1.00 2.24 C ATOM 1020 C SER A 99 5.847 -9.360 -11.553 1.00 32.42 C ATOM 1021 O SER A 99 5.026 -9.793 -10.744 1.00 73.43 O ATOM 1022 CB SER A 99 8.012 -10.314 -12.405 1.00 64.41 C ATOM 1023 OG SER A 99 7.786 -9.738 -13.688 1.00 5.21 O ATOM 0 H SER A 99 7.659 -11.100 -9.972 1.00 52.31 H new ATOM 0 HA SER A 99 7.778 -8.475 -11.284 1.00 2.24 H new ATOM 0 HB2 SER A 99 9.084 -10.390 -12.223 1.00 64.41 H new ATOM 0 HB3 SER A 99 7.612 -11.328 -12.385 1.00 64.41 H new ATOM 0 HG SER A 99 8.215 -10.290 -14.375 1.00 5.21 H new ATOM 1029 N ARG A 100 5.494 -8.793 -12.712 1.00 51.35 N ATOM 1030 CA ARG A 100 4.092 -8.504 -13.075 1.00 71.13 C ATOM 1031 C ARG A 100 3.166 -9.727 -12.910 1.00 64.42 C ATOM 1032 O ARG A 100 2.148 -9.661 -12.222 1.00 42.02 O ATOM 1033 CB ARG A 100 4.020 -8.007 -14.528 1.00 25.15 C ATOM 1034 CG ARG A 100 4.785 -6.709 -14.792 1.00 54.25 C ATOM 1035 CD ARG A 100 4.092 -5.495 -14.178 1.00 71.41 C ATOM 1036 NE ARG A 100 4.832 -4.257 -14.430 1.00 12.23 N ATOM 1037 CZ ARG A 100 4.278 -3.091 -14.640 1.00 30.21 C ATOM 1038 NH1 ARG A 100 2.991 -2.968 -14.699 1.00 21.24 N ATOM 1039 NH2 ARG A 100 5.024 -2.048 -14.806 1.00 1.24 N ATOM 0 H ARG A 100 6.167 -8.520 -13.428 1.00 51.35 H new ATOM 0 HA ARG A 100 3.742 -7.733 -12.388 1.00 71.13 H new ATOM 0 HB2 ARG A 100 4.411 -8.784 -15.185 1.00 25.15 H new ATOM 0 HB3 ARG A 100 2.974 -7.859 -14.797 1.00 25.15 H new ATOM 0 HG2 ARG A 100 5.793 -6.794 -14.385 1.00 54.25 H new ATOM 0 HG3 ARG A 100 4.887 -6.562 -15.867 1.00 54.25 H new ATOM 0 HD2 ARG A 100 3.086 -5.406 -14.588 1.00 71.41 H new ATOM 0 HD3 ARG A 100 3.987 -5.642 -13.103 1.00 71.41 H new ATOM 0 HE ARG A 100 5.851 -4.307 -14.443 1.00 12.23 H new ATOM 0 HH11 ARG A 100 2.394 -3.787 -14.581 1.00 21.24 H new ATOM 0 HH12 ARG A 100 2.573 -2.052 -14.863 1.00 21.24 H new ATOM 0 HH21 ARG A 100 6.040 -2.137 -14.773 1.00 1.24 H new ATOM 0 HH22 ARG A 100 4.597 -1.136 -14.970 1.00 1.24 H new ATOM 1053 N SER A 101 3.517 -10.840 -13.549 1.00 21.12 N ATOM 1054 CA SER A 101 2.673 -12.050 -13.523 1.00 14.14 C ATOM 1055 C SER A 101 2.734 -12.785 -12.172 1.00 72.44 C ATOM 1056 O SER A 101 1.974 -13.725 -11.935 1.00 53.23 O ATOM 1057 CB SER A 101 3.091 -13.014 -14.642 1.00 64.40 C ATOM 1058 OG SER A 101 3.124 -12.366 -15.906 1.00 14.25 O ATOM 0 H SER A 101 4.375 -10.938 -14.092 1.00 21.12 H new ATOM 0 HA SER A 101 1.646 -11.718 -13.675 1.00 14.14 H new ATOM 0 HB2 SER A 101 4.075 -13.427 -14.419 1.00 64.40 H new ATOM 0 HB3 SER A 101 2.395 -13.852 -14.680 1.00 64.40 H new ATOM 0 HG SER A 101 3.395 -13.007 -16.595 1.00 14.25 H new ATOM 1064 N ASN A 102 3.635 -12.361 -11.286 1.00 21.41 N ATOM 1065 CA ASN A 102 3.836 -13.036 -9.992 1.00 51.34 C ATOM 1066 C ASN A 102 3.284 -12.214 -8.816 1.00 12.21 C ATOM 1067 O ASN A 102 3.428 -12.607 -7.657 1.00 51.12 O ATOM 1068 CB ASN A 102 5.328 -13.309 -9.782 1.00 3.42 C ATOM 1069 CG ASN A 102 5.915 -14.157 -10.896 1.00 64.13 C ATOM 1070 OD1 ASN A 102 6.373 -13.642 -11.909 1.00 24.10 O ATOM 1071 ND2 ASN A 102 5.905 -15.462 -10.721 1.00 3.54 N ATOM 0 H ASN A 102 4.240 -11.554 -11.435 1.00 21.41 H new ATOM 0 HA ASN A 102 3.284 -13.975 -10.019 1.00 51.34 H new ATOM 0 HB2 ASN A 102 5.865 -12.362 -9.726 1.00 3.42 H new ATOM 0 HB3 ASN A 102 5.473 -13.814 -8.827 1.00 3.42 H new ATOM 0 HD21 ASN A 102 6.286 -16.076 -11.441 1.00 3.54 H new ATOM 0 HD22 ASN A 102 5.516 -15.859 -9.866 1.00 3.54 H new ATOM 1078 N LEU A 103 2.653 -11.082 -9.124 1.00 5.54 N ATOM 1079 CA LEU A 103 2.067 -10.206 -8.099 1.00 14.32 C ATOM 1080 C LEU A 103 0.974 -10.923 -7.291 1.00 42.15 C ATOM 1081 O LEU A 103 -0.006 -11.423 -7.856 1.00 13.32 O ATOM 1082 CB LEU A 103 1.475 -8.944 -8.747 1.00 60.34 C ATOM 1083 CG LEU A 103 2.469 -8.076 -9.534 1.00 71.15 C ATOM 1084 CD1 LEU A 103 1.783 -6.834 -10.096 1.00 53.52 C ATOM 1085 CD2 LEU A 103 3.658 -7.692 -8.660 1.00 73.34 C ATOM 0 H LEU A 103 2.532 -10.745 -10.079 1.00 5.54 H new ATOM 0 HA LEU A 103 2.870 -9.928 -7.416 1.00 14.32 H new ATOM 0 HB2 LEU A 103 0.671 -9.245 -9.419 1.00 60.34 H new ATOM 0 HB3 LEU A 103 1.025 -8.332 -7.965 1.00 60.34 H new ATOM 0 HG LEU A 103 2.840 -8.663 -10.374 1.00 71.15 H new ATOM 0 HD11 LEU A 103 2.508 -6.237 -10.649 1.00 53.52 H new ATOM 0 HD12 LEU A 103 0.976 -7.135 -10.764 1.00 53.52 H new ATOM 0 HD13 LEU A 103 1.374 -6.242 -9.277 1.00 53.52 H new ATOM 0 HD21 LEU A 103 4.350 -7.078 -9.236 1.00 73.34 H new ATOM 0 HD22 LEU A 103 3.307 -7.129 -7.795 1.00 73.34 H new ATOM 0 HD23 LEU A 103 4.168 -8.594 -8.323 1.00 73.34 H new ATOM 1097 N ARG A 104 1.148 -10.970 -5.976 1.00 12.40 N ATOM 1098 CA ARG A 104 0.160 -11.578 -5.076 1.00 45.14 C ATOM 1099 C ARG A 104 -0.615 -10.492 -4.310 1.00 15.20 C ATOM 1100 O ARG A 104 -0.121 -9.381 -4.117 1.00 41.52 O ATOM 1101 CB ARG A 104 0.859 -12.515 -4.076 1.00 24.45 C ATOM 1102 CG ARG A 104 1.864 -13.471 -4.715 1.00 74.14 C ATOM 1103 CD ARG A 104 1.216 -14.379 -5.751 1.00 24.13 C ATOM 1104 NE ARG A 104 2.193 -15.275 -6.368 1.00 64.14 N ATOM 1105 CZ ARG A 104 1.885 -16.321 -7.083 1.00 53.12 C ATOM 1106 NH1 ARG A 104 0.646 -16.606 -7.336 1.00 13.14 N ATOM 1107 NH2 ARG A 104 2.817 -17.076 -7.566 1.00 35.32 N ATOM 0 H ARG A 104 1.968 -10.593 -5.501 1.00 12.40 H new ATOM 0 HA ARG A 104 -0.542 -12.154 -5.679 1.00 45.14 H new ATOM 0 HB2 ARG A 104 1.373 -11.912 -3.328 1.00 24.45 H new ATOM 0 HB3 ARG A 104 0.102 -13.098 -3.551 1.00 24.45 H new ATOM 0 HG2 ARG A 104 2.661 -12.896 -5.186 1.00 74.14 H new ATOM 0 HG3 ARG A 104 2.327 -14.081 -3.939 1.00 74.14 H new ATOM 0 HD2 ARG A 104 0.429 -14.967 -5.279 1.00 24.13 H new ATOM 0 HD3 ARG A 104 0.741 -13.772 -6.522 1.00 24.13 H new ATOM 0 HE ARG A 104 3.182 -15.068 -6.230 1.00 64.14 H new ATOM 0 HH11 ARG A 104 -0.099 -16.010 -6.975 1.00 13.14 H new ATOM 0 HH12 ARG A 104 0.416 -17.427 -7.896 1.00 13.14 H new ATOM 0 HH21 ARG A 104 3.797 -16.854 -7.388 1.00 35.32 H new ATOM 0 HH22 ARG A 104 2.573 -17.894 -8.125 1.00 35.32 H new ATOM 1121 N THR A 105 -1.836 -10.803 -3.882 1.00 2.14 N ATOM 1122 CA THR A 105 -2.618 -9.860 -3.076 1.00 30.42 C ATOM 1123 C THR A 105 -1.963 -9.639 -1.704 1.00 75.53 C ATOM 1124 O THR A 105 -1.793 -10.581 -0.927 1.00 22.54 O ATOM 1125 CB THR A 105 -4.076 -10.339 -2.877 1.00 14.33 C ATOM 1126 OG1 THR A 105 -4.710 -10.536 -4.153 1.00 63.50 O ATOM 1127 CG2 THR A 105 -4.880 -9.331 -2.064 1.00 72.45 C ATOM 0 H THR A 105 -2.304 -11.689 -4.075 1.00 2.14 H new ATOM 0 HA THR A 105 -2.638 -8.919 -3.625 1.00 30.42 H new ATOM 0 HB THR A 105 -4.047 -11.282 -2.331 1.00 14.33 H new ATOM 0 HG1 THR A 105 -5.165 -9.711 -4.423 1.00 63.50 H new ATOM 0 HG21 THR A 105 -5.900 -9.694 -1.940 1.00 72.45 H new ATOM 0 HG22 THR A 105 -4.419 -9.203 -1.085 1.00 72.45 H new ATOM 0 HG23 THR A 105 -4.896 -8.374 -2.585 1.00 72.45 H new ATOM 1135 N GLY A 106 -1.592 -8.394 -1.420 1.00 74.21 N ATOM 1136 CA GLY A 106 -0.880 -8.076 -0.185 1.00 44.13 C ATOM 1137 C GLY A 106 0.550 -7.607 -0.436 1.00 53.15 C ATOM 1138 O GLY A 106 1.222 -7.119 0.476 1.00 70.12 O ATOM 0 H GLY A 106 -1.771 -7.592 -2.024 1.00 74.21 H new ATOM 0 HA2 GLY A 106 -1.424 -7.300 0.354 1.00 44.13 H new ATOM 0 HA3 GLY A 106 -0.862 -8.957 0.457 1.00 44.13 H new ATOM 1142 N ASP A 107 1.018 -7.770 -1.673 1.00 10.23 N ATOM 1143 CA ASP A 107 2.353 -7.318 -2.066 1.00 24.44 C ATOM 1144 C ASP A 107 2.438 -5.783 -2.102 1.00 74.51 C ATOM 1145 O ASP A 107 1.520 -5.102 -2.568 1.00 70.30 O ATOM 1146 CB ASP A 107 2.729 -7.897 -3.439 1.00 11.43 C ATOM 1147 CG ASP A 107 2.833 -9.417 -3.436 1.00 44.32 C ATOM 1148 OD1 ASP A 107 2.302 -10.058 -2.503 1.00 63.23 O ATOM 1149 OD2 ASP A 107 3.436 -9.975 -4.376 1.00 52.15 O ATOM 0 H ASP A 107 0.490 -8.214 -2.424 1.00 10.23 H new ATOM 0 HA ASP A 107 3.059 -7.678 -1.318 1.00 24.44 H new ATOM 0 HB2 ASP A 107 1.983 -7.591 -4.173 1.00 11.43 H new ATOM 0 HB3 ASP A 107 3.682 -7.474 -3.757 1.00 11.43 H new ATOM 1154 N LEU A 108 3.547 -5.246 -1.605 1.00 22.43 N ATOM 1155 CA LEU A 108 3.761 -3.799 -1.577 1.00 45.14 C ATOM 1156 C LEU A 108 4.376 -3.314 -2.895 1.00 23.44 C ATOM 1157 O LEU A 108 5.496 -3.687 -3.240 1.00 24.35 O ATOM 1158 CB LEU A 108 4.675 -3.421 -0.402 1.00 32.34 C ATOM 1159 CG LEU A 108 4.263 -3.998 0.965 1.00 45.44 C ATOM 1160 CD1 LEU A 108 5.117 -3.403 2.080 1.00 74.31 C ATOM 1161 CD2 LEU A 108 2.778 -3.761 1.231 1.00 51.11 C ATOM 0 H LEU A 108 4.316 -5.791 -1.214 1.00 22.43 H new ATOM 0 HA LEU A 108 2.794 -3.314 -1.448 1.00 45.14 H new ATOM 0 HB2 LEU A 108 5.687 -3.755 -0.629 1.00 32.34 H new ATOM 0 HB3 LEU A 108 4.708 -2.334 -0.324 1.00 32.34 H new ATOM 0 HG LEU A 108 4.433 -5.075 0.945 1.00 45.44 H new ATOM 0 HD11 LEU A 108 4.810 -3.824 3.037 1.00 74.31 H new ATOM 0 HD12 LEU A 108 6.166 -3.638 1.900 1.00 74.31 H new ATOM 0 HD13 LEU A 108 4.986 -2.321 2.100 1.00 74.31 H new ATOM 0 HD21 LEU A 108 2.511 -4.178 2.202 1.00 51.11 H new ATOM 0 HD22 LEU A 108 2.574 -2.690 1.227 1.00 51.11 H new ATOM 0 HD23 LEU A 108 2.187 -4.246 0.454 1.00 51.11 H new ATOM 1173 N VAL A 109 3.651 -2.468 -3.619 1.00 45.42 N ATOM 1174 CA VAL A 109 4.108 -1.992 -4.928 1.00 60.42 C ATOM 1175 C VAL A 109 4.829 -0.640 -4.813 1.00 41.24 C ATOM 1176 O VAL A 109 4.259 0.357 -4.361 1.00 30.33 O ATOM 1177 CB VAL A 109 2.934 -1.889 -5.943 1.00 72.14 C ATOM 1178 CG1 VAL A 109 2.426 -3.279 -6.325 1.00 52.31 C ATOM 1179 CG2 VAL A 109 1.792 -1.040 -5.385 1.00 1.41 C ATOM 0 H VAL A 109 2.747 -2.097 -3.327 1.00 45.42 H new ATOM 0 HA VAL A 109 4.817 -2.730 -5.302 1.00 60.42 H new ATOM 0 HB VAL A 109 3.313 -1.398 -6.839 1.00 72.14 H new ATOM 0 HG11 VAL A 109 1.605 -3.184 -7.036 1.00 52.31 H new ATOM 0 HG12 VAL A 109 3.235 -3.850 -6.780 1.00 52.31 H new ATOM 0 HG13 VAL A 109 2.075 -3.796 -5.432 1.00 52.31 H new ATOM 0 HG21 VAL A 109 0.987 -0.987 -6.118 1.00 1.41 H new ATOM 0 HG22 VAL A 109 1.418 -1.492 -4.466 1.00 1.41 H new ATOM 0 HG23 VAL A 109 2.156 -0.035 -5.173 1.00 1.41 H new ATOM 1189 N LEU A 110 6.104 -0.631 -5.206 1.00 14.13 N ATOM 1190 CA LEU A 110 6.958 0.557 -5.104 1.00 61.13 C ATOM 1191 C LEU A 110 6.945 1.386 -6.402 1.00 53.13 C ATOM 1192 O LEU A 110 7.208 0.866 -7.490 1.00 35.03 O ATOM 1193 CB LEU A 110 8.400 0.135 -4.781 1.00 51.43 C ATOM 1194 CG LEU A 110 8.574 -0.716 -3.509 1.00 3.24 C ATOM 1195 CD1 LEU A 110 10.020 -1.183 -3.370 1.00 72.02 C ATOM 1196 CD2 LEU A 110 8.133 0.063 -2.267 1.00 32.43 C ATOM 0 H LEU A 110 6.574 -1.444 -5.603 1.00 14.13 H new ATOM 0 HA LEU A 110 6.561 1.181 -4.303 1.00 61.13 H new ATOM 0 HB2 LEU A 110 8.794 -0.426 -5.629 1.00 51.43 H new ATOM 0 HB3 LEU A 110 9.009 1.033 -4.682 1.00 51.43 H new ATOM 0 HG LEU A 110 7.937 -1.596 -3.598 1.00 3.24 H new ATOM 0 HD11 LEU A 110 10.123 -1.783 -2.466 1.00 72.02 H new ATOM 0 HD12 LEU A 110 10.293 -1.784 -4.237 1.00 72.02 H new ATOM 0 HD13 LEU A 110 10.678 -0.316 -3.308 1.00 72.02 H new ATOM 0 HD21 LEU A 110 8.265 -0.559 -1.382 1.00 32.43 H new ATOM 0 HD22 LEU A 110 8.737 0.965 -2.170 1.00 32.43 H new ATOM 0 HD23 LEU A 110 7.083 0.338 -2.364 1.00 32.43 H new ATOM 1208 N PHE A 111 6.654 2.679 -6.274 1.00 64.54 N ATOM 1209 CA PHE A 111 6.652 3.598 -7.420 1.00 33.50 C ATOM 1210 C PHE A 111 7.739 4.672 -7.270 1.00 73.42 C ATOM 1211 O PHE A 111 7.887 5.277 -6.206 1.00 43.42 O ATOM 1212 CB PHE A 111 5.280 4.266 -7.566 1.00 30.12 C ATOM 1213 CG PHE A 111 4.154 3.284 -7.771 1.00 13.30 C ATOM 1214 CD1 PHE A 111 3.918 2.730 -9.022 1.00 71.31 C ATOM 1215 CD2 PHE A 111 3.337 2.909 -6.714 1.00 31.31 C ATOM 1216 CE1 PHE A 111 2.891 1.826 -9.212 1.00 32.24 C ATOM 1217 CE2 PHE A 111 2.312 2.006 -6.900 1.00 2.03 C ATOM 1218 CZ PHE A 111 2.089 1.462 -8.150 1.00 52.24 C ATOM 0 H PHE A 111 6.415 3.119 -5.386 1.00 64.54 H new ATOM 0 HA PHE A 111 6.865 3.015 -8.316 1.00 33.50 H new ATOM 0 HB2 PHE A 111 5.077 4.860 -6.675 1.00 30.12 H new ATOM 0 HB3 PHE A 111 5.308 4.956 -8.409 1.00 30.12 H new ATOM 0 HD1 PHE A 111 4.545 3.009 -9.856 1.00 71.31 H new ATOM 0 HD2 PHE A 111 3.506 3.330 -5.734 1.00 31.31 H new ATOM 0 HE1 PHE A 111 2.716 1.405 -10.191 1.00 32.24 H new ATOM 0 HE2 PHE A 111 1.683 1.724 -6.068 1.00 2.03 H new ATOM 0 HZ PHE A 111 1.288 0.753 -8.296 1.00 52.24 H new ATOM 1228 N ARG A 112 8.496 4.906 -8.341 1.00 32.43 N ATOM 1229 CA ARG A 112 9.566 5.913 -8.329 1.00 22.25 C ATOM 1230 C ARG A 112 8.981 7.335 -8.420 1.00 24.15 C ATOM 1231 O ARG A 112 8.746 7.853 -9.511 1.00 12.13 O ATOM 1232 CB ARG A 112 10.541 5.659 -9.491 1.00 1.21 C ATOM 1233 CG ARG A 112 11.049 4.220 -9.558 1.00 3.32 C ATOM 1234 CD ARG A 112 12.037 4.003 -10.702 1.00 2.51 C ATOM 1235 NE ARG A 112 13.349 4.596 -10.428 1.00 54.43 N ATOM 1236 CZ ARG A 112 14.152 5.056 -11.351 1.00 31.51 C ATOM 1237 NH1 ARG A 112 13.789 5.063 -12.594 1.00 44.11 N ATOM 1238 NH2 ARG A 112 15.325 5.511 -11.031 1.00 64.43 N ATOM 0 H ARG A 112 8.392 4.415 -9.229 1.00 32.43 H new ATOM 0 HA ARG A 112 10.109 5.830 -7.387 1.00 22.25 H new ATOM 0 HB2 ARG A 112 10.046 5.905 -10.430 1.00 1.21 H new ATOM 0 HB3 ARG A 112 11.393 6.332 -9.394 1.00 1.21 H new ATOM 0 HG2 ARG A 112 11.529 3.963 -8.614 1.00 3.32 H new ATOM 0 HG3 ARG A 112 10.202 3.544 -9.680 1.00 3.32 H new ATOM 0 HD2 ARG A 112 12.154 2.934 -10.879 1.00 2.51 H new ATOM 0 HD3 ARG A 112 11.630 4.435 -11.616 1.00 2.51 H new ATOM 0 HE ARG A 112 13.654 4.653 -9.456 1.00 54.43 H new ATOM 0 HH11 ARG A 112 12.870 4.708 -12.859 1.00 44.11 H new ATOM 0 HH12 ARG A 112 14.422 5.424 -13.308 1.00 44.11 H new ATOM 0 HH21 ARG A 112 15.624 5.511 -10.056 1.00 64.43 H new ATOM 0 HH22 ARG A 112 15.948 5.869 -11.755 1.00 64.43 H new ATOM 1252 N ALA A 113 8.732 7.955 -7.269 1.00 60.01 N ATOM 1253 CA ALA A 113 8.089 9.278 -7.223 1.00 61.44 C ATOM 1254 C ALA A 113 9.117 10.423 -7.159 1.00 52.51 C ATOM 1255 O ALA A 113 10.065 10.379 -6.371 1.00 63.45 O ATOM 1256 CB ALA A 113 7.138 9.357 -6.033 1.00 44.01 C ATOM 0 H ALA A 113 8.963 7.568 -6.354 1.00 60.01 H new ATOM 0 HA ALA A 113 7.526 9.399 -8.148 1.00 61.44 H new ATOM 0 HB1 ALA A 113 6.667 10.340 -6.008 1.00 44.01 H new ATOM 0 HB2 ALA A 113 6.370 8.589 -6.129 1.00 44.01 H new ATOM 0 HB3 ALA A 113 7.696 9.198 -5.110 1.00 44.01 H new ATOM 1301 N ARG A 118 10.706 7.003 -3.010 1.00 51.00 N ATOM 1302 CA ARG A 118 10.032 5.701 -3.074 1.00 53.22 C ATOM 1303 C ARG A 118 8.611 5.782 -2.499 1.00 32.44 C ATOM 1304 O ARG A 118 8.420 6.073 -1.316 1.00 75.45 O ATOM 1305 CB ARG A 118 10.833 4.627 -2.315 1.00 51.02 C ATOM 1306 CG ARG A 118 12.178 4.262 -2.948 1.00 44.42 C ATOM 1307 CD ARG A 118 13.210 5.378 -2.816 1.00 51.15 C ATOM 1308 NE ARG A 118 14.501 4.997 -3.375 1.00 33.31 N ATOM 1309 CZ ARG A 118 15.593 5.702 -3.258 1.00 63.24 C ATOM 1310 NH1 ARG A 118 15.604 6.807 -2.582 1.00 43.44 N ATOM 1311 NH2 ARG A 118 16.686 5.290 -3.807 1.00 54.50 N ATOM 0 HA ARG A 118 9.970 5.421 -4.126 1.00 53.22 H new ATOM 0 HB2 ARG A 118 11.009 4.977 -1.298 1.00 51.02 H new ATOM 0 HB3 ARG A 118 10.225 3.725 -2.241 1.00 51.02 H new ATOM 0 HG2 ARG A 118 12.564 3.358 -2.477 1.00 44.42 H new ATOM 0 HG3 ARG A 118 12.029 4.033 -4.003 1.00 44.42 H new ATOM 0 HD2 ARG A 118 12.845 6.271 -3.323 1.00 51.15 H new ATOM 0 HD3 ARG A 118 13.332 5.636 -1.764 1.00 51.15 H new ATOM 0 HE ARG A 118 14.555 4.120 -3.893 1.00 33.31 H new ATOM 0 HH11 ARG A 118 14.751 7.138 -2.131 1.00 43.44 H new ATOM 0 HH12 ARG A 118 16.466 7.346 -2.500 1.00 43.44 H new ATOM 0 HH21 ARG A 118 16.695 4.415 -4.331 1.00 54.50 H new ATOM 0 HH22 ARG A 118 17.541 5.839 -3.717 1.00 54.50 H new ATOM 1325 N HIS A 119 7.617 5.540 -3.343 1.00 60.23 N ATOM 1326 CA HIS A 119 6.221 5.474 -2.901 1.00 65.34 C ATOM 1327 C HIS A 119 5.765 4.010 -2.799 1.00 70.12 C ATOM 1328 O HIS A 119 6.275 3.148 -3.514 1.00 72.33 O ATOM 1329 CB HIS A 119 5.324 6.251 -3.875 1.00 55.42 C ATOM 1330 CG HIS A 119 3.891 6.318 -3.446 1.00 21.12 C ATOM 1331 ND1 HIS A 119 3.494 7.125 -2.409 1.00 3.11 N ATOM 1332 CD2 HIS A 119 2.811 5.662 -3.933 1.00 54.22 C ATOM 1333 CE1 HIS A 119 2.192 6.946 -2.289 1.00 33.44 C ATOM 1334 NE2 HIS A 119 1.736 6.069 -3.189 1.00 44.24 N ATOM 0 H HIS A 119 7.747 5.385 -4.343 1.00 60.23 H new ATOM 0 HA HIS A 119 6.140 5.930 -1.914 1.00 65.34 H new ATOM 0 HB2 HIS A 119 5.710 7.265 -3.982 1.00 55.42 H new ATOM 0 HB3 HIS A 119 5.379 5.784 -4.858 1.00 55.42 H new ATOM 0 HD2 HIS A 119 2.800 4.955 -4.750 1.00 54.22 H new ATOM 0 HE1 HIS A 119 1.574 7.444 -1.557 1.00 33.44 H new ATOM 0 HE2 HIS A 119 0.770 5.761 -3.300 1.00 44.24 H new ATOM 1342 N VAL A 120 4.807 3.725 -1.918 1.00 42.43 N ATOM 1343 CA VAL A 120 4.359 2.344 -1.702 1.00 50.12 C ATOM 1344 C VAL A 120 2.826 2.236 -1.605 1.00 14.45 C ATOM 1345 O VAL A 120 2.167 3.066 -0.976 1.00 23.42 O ATOM 1346 CB VAL A 120 5.001 1.740 -0.425 1.00 11.01 C ATOM 1347 CG1 VAL A 120 4.611 2.538 0.819 1.00 1.13 C ATOM 1348 CG2 VAL A 120 4.620 0.266 -0.272 1.00 2.33 C ATOM 0 H VAL A 120 4.329 4.421 -1.346 1.00 42.43 H new ATOM 0 HA VAL A 120 4.685 1.776 -2.573 1.00 50.12 H new ATOM 0 HB VAL A 120 6.084 1.801 -0.532 1.00 11.01 H new ATOM 0 HG11 VAL A 120 5.075 2.091 1.698 1.00 1.13 H new ATOM 0 HG12 VAL A 120 4.952 3.568 0.712 1.00 1.13 H new ATOM 0 HG13 VAL A 120 3.527 2.525 0.935 1.00 1.13 H new ATOM 0 HG21 VAL A 120 5.081 -0.137 0.630 1.00 2.33 H new ATOM 0 HG22 VAL A 120 3.536 0.176 -0.197 1.00 2.33 H new ATOM 0 HG23 VAL A 120 4.971 -0.292 -1.140 1.00 2.33 H new ATOM 1358 N GLY A 121 2.269 1.208 -2.246 1.00 73.14 N ATOM 1359 CA GLY A 121 0.837 0.942 -2.165 1.00 73.33 C ATOM 1360 C GLY A 121 0.527 -0.534 -1.937 1.00 11.34 C ATOM 1361 O GLY A 121 1.359 -1.398 -2.216 1.00 63.13 O ATOM 0 H GLY A 121 2.788 0.548 -2.825 1.00 73.14 H new ATOM 0 HA2 GLY A 121 0.407 1.529 -1.353 1.00 73.33 H new ATOM 0 HA3 GLY A 121 0.357 1.272 -3.086 1.00 73.33 H new ATOM 1365 N ILE A 122 -0.668 -0.828 -1.435 1.00 32.44 N ATOM 1366 CA ILE A 122 -1.070 -2.211 -1.154 1.00 25.44 C ATOM 1367 C ILE A 122 -1.801 -2.838 -2.353 1.00 44.35 C ATOM 1368 O ILE A 122 -2.954 -2.499 -2.631 1.00 22.41 O ATOM 1369 CB ILE A 122 -1.992 -2.281 0.088 1.00 53.02 C ATOM 1370 CG1 ILE A 122 -1.357 -1.537 1.276 1.00 74.53 C ATOM 1371 CG2 ILE A 122 -2.278 -3.735 0.455 1.00 73.52 C ATOM 1372 CD1 ILE A 122 -2.244 -1.477 2.505 1.00 75.33 C ATOM 0 H ILE A 122 -1.378 -0.131 -1.213 1.00 32.44 H new ATOM 0 HA ILE A 122 -0.156 -2.773 -0.960 1.00 25.44 H new ATOM 0 HB ILE A 122 -2.936 -1.793 -0.154 1.00 53.02 H new ATOM 0 HG12 ILE A 122 -0.419 -2.026 1.540 1.00 74.53 H new ATOM 0 HG13 ILE A 122 -1.111 -0.521 0.967 1.00 74.53 H new ATOM 0 HG21 ILE A 122 -2.927 -3.768 1.330 1.00 73.52 H new ATOM 0 HG22 ILE A 122 -2.770 -4.231 -0.381 1.00 73.52 H new ATOM 0 HG23 ILE A 122 -1.341 -4.245 0.679 1.00 73.52 H new ATOM 0 HD11 ILE A 122 -1.729 -0.938 3.300 1.00 75.33 H new ATOM 0 HD12 ILE A 122 -3.172 -0.961 2.259 1.00 75.33 H new ATOM 0 HD13 ILE A 122 -2.470 -2.489 2.841 1.00 75.33 H new ATOM 1384 N TYR A 123 -1.127 -3.745 -3.059 1.00 12.43 N ATOM 1385 CA TYR A 123 -1.719 -4.439 -4.211 1.00 64.44 C ATOM 1386 C TYR A 123 -2.884 -5.347 -3.779 1.00 45.15 C ATOM 1387 O TYR A 123 -2.706 -6.262 -2.972 1.00 64.24 O ATOM 1388 CB TYR A 123 -0.639 -5.267 -4.927 1.00 11.21 C ATOM 1389 CG TYR A 123 -1.154 -6.126 -6.073 1.00 35.41 C ATOM 1390 CD1 TYR A 123 -1.221 -5.637 -7.372 1.00 51.41 C ATOM 1391 CD2 TYR A 123 -1.565 -7.437 -5.849 1.00 61.41 C ATOM 1392 CE1 TYR A 123 -1.686 -6.428 -8.409 1.00 4.55 C ATOM 1393 CE2 TYR A 123 -2.028 -8.230 -6.876 1.00 61.34 C ATOM 1394 CZ TYR A 123 -2.087 -7.725 -8.153 1.00 51.23 C ATOM 1395 OH TYR A 123 -2.554 -8.521 -9.175 1.00 12.12 O ATOM 0 H TYR A 123 -0.166 -4.020 -2.855 1.00 12.43 H new ATOM 0 HA TYR A 123 -2.117 -3.690 -4.895 1.00 64.44 H new ATOM 0 HB2 TYR A 123 0.123 -4.590 -5.312 1.00 11.21 H new ATOM 0 HB3 TYR A 123 -0.152 -5.913 -4.197 1.00 11.21 H new ATOM 0 HD1 TYR A 123 -0.906 -4.624 -7.576 1.00 51.41 H new ATOM 0 HD2 TYR A 123 -1.520 -7.841 -4.848 1.00 61.41 H new ATOM 0 HE1 TYR A 123 -1.735 -6.033 -9.413 1.00 4.55 H new ATOM 0 HE2 TYR A 123 -2.343 -9.244 -6.679 1.00 61.34 H new ATOM 0 HH TYR A 123 -2.362 -8.094 -10.036 1.00 12.12 H new ATOM 1405 N ILE A 124 -4.076 -5.095 -4.321 1.00 45.23 N ATOM 1406 CA ILE A 124 -5.261 -5.895 -3.976 1.00 14.44 C ATOM 1407 C ILE A 124 -5.623 -6.911 -5.077 1.00 33.04 C ATOM 1408 O ILE A 124 -6.034 -8.031 -4.775 1.00 64.33 O ATOM 1409 CB ILE A 124 -6.491 -5.002 -3.662 1.00 11.34 C ATOM 1410 CG1 ILE A 124 -6.872 -4.138 -4.874 1.00 30.54 C ATOM 1411 CG2 ILE A 124 -6.207 -4.124 -2.444 1.00 32.15 C ATOM 1412 CD1 ILE A 124 -8.095 -3.269 -4.653 1.00 63.53 C ATOM 0 H ILE A 124 -4.250 -4.350 -4.996 1.00 45.23 H new ATOM 0 HA ILE A 124 -4.994 -6.449 -3.076 1.00 14.44 H new ATOM 0 HB ILE A 124 -7.337 -5.652 -3.437 1.00 11.34 H new ATOM 0 HG12 ILE A 124 -6.027 -3.499 -5.132 1.00 30.54 H new ATOM 0 HG13 ILE A 124 -7.052 -4.789 -5.729 1.00 30.54 H new ATOM 0 HG21 ILE A 124 -7.077 -3.502 -2.233 1.00 32.15 H new ATOM 0 HG22 ILE A 124 -5.995 -4.756 -1.581 1.00 32.15 H new ATOM 0 HG23 ILE A 124 -5.346 -3.487 -2.647 1.00 32.15 H new ATOM 0 HD11 ILE A 124 -8.298 -2.690 -5.554 1.00 63.53 H new ATOM 0 HD12 ILE A 124 -8.954 -3.901 -4.426 1.00 63.53 H new ATOM 0 HD13 ILE A 124 -7.913 -2.591 -3.819 1.00 63.53 H new ATOM 1424 N GLY A 125 -5.467 -6.531 -6.350 1.00 25.12 N ATOM 1425 CA GLY A 125 -5.797 -7.448 -7.442 1.00 34.03 C ATOM 1426 C GLY A 125 -5.581 -6.860 -8.838 1.00 34.42 C ATOM 1427 O GLY A 125 -5.843 -5.678 -9.070 1.00 11.02 O ATOM 0 H GLY A 125 -5.123 -5.617 -6.644 1.00 25.12 H new ATOM 0 HA2 GLY A 125 -5.192 -8.349 -7.341 1.00 34.03 H new ATOM 0 HA3 GLY A 125 -6.839 -7.752 -7.345 1.00 34.03 H new ATOM 1431 N ASN A 126 -5.097 -7.701 -9.759 1.00 63.52 N ATOM 1432 CA ASN A 126 -4.850 -7.317 -11.159 1.00 54.04 C ATOM 1433 C ASN A 126 -3.804 -6.193 -11.268 1.00 23.23 C ATOM 1434 O ASN A 126 -2.632 -6.438 -11.562 1.00 11.41 O ATOM 1435 CB ASN A 126 -6.154 -6.899 -11.859 1.00 21.12 C ATOM 1436 CG ASN A 126 -7.148 -8.039 -12.000 1.00 24.31 C ATOM 1437 OD1 ASN A 126 -7.242 -8.920 -11.149 1.00 41.13 O ATOM 1438 ND2 ASN A 126 -7.893 -8.035 -13.086 1.00 70.53 N ATOM 0 H ASN A 126 -4.863 -8.673 -9.556 1.00 63.52 H new ATOM 0 HA ASN A 126 -4.451 -8.197 -11.663 1.00 54.04 H new ATOM 0 HB2 ASN A 126 -6.617 -6.089 -11.296 1.00 21.12 H new ATOM 0 HB3 ASN A 126 -5.918 -6.506 -12.848 1.00 21.12 H new ATOM 0 HD21 ASN A 126 -8.574 -8.779 -13.240 1.00 70.53 H new ATOM 0 HD22 ASN A 126 -7.789 -7.288 -13.773 1.00 70.53 H new ATOM 1445 N ASN A 127 -4.242 -4.962 -11.034 1.00 43.13 N ATOM 1446 CA ASN A 127 -3.362 -3.790 -11.069 1.00 31.00 C ATOM 1447 C ASN A 127 -3.869 -2.695 -10.119 1.00 65.43 C ATOM 1448 O ASN A 127 -3.361 -1.579 -10.121 1.00 15.31 O ATOM 1449 CB ASN A 127 -3.254 -3.257 -12.506 1.00 52.21 C ATOM 1450 CG ASN A 127 -4.586 -2.786 -13.055 1.00 30.05 C ATOM 1451 OD1 ASN A 127 -4.921 -1.615 -12.957 1.00 75.32 O ATOM 1452 ND2 ASN A 127 -5.356 -3.687 -13.632 1.00 13.31 N ATOM 0 H ASN A 127 -5.214 -4.743 -10.815 1.00 43.13 H new ATOM 0 HA ASN A 127 -2.370 -4.090 -10.731 1.00 31.00 H new ATOM 0 HB2 ASN A 127 -2.543 -2.431 -12.531 1.00 52.21 H new ATOM 0 HB3 ASN A 127 -2.856 -4.040 -13.151 1.00 52.21 H new ATOM 0 HD21 ASN A 127 -6.262 -3.415 -14.013 1.00 13.31 H new ATOM 0 HD22 ASN A 127 -5.046 -4.657 -13.697 1.00 13.31 H new ATOM 1459 N GLN A 128 -4.868 -3.027 -9.301 1.00 73.44 N ATOM 1460 CA GLN A 128 -5.427 -2.080 -8.336 1.00 42.12 C ATOM 1461 C GLN A 128 -4.682 -2.146 -6.999 1.00 64.10 C ATOM 1462 O GLN A 128 -4.283 -3.221 -6.544 1.00 23.34 O ATOM 1463 CB GLN A 128 -6.917 -2.360 -8.112 1.00 71.45 C ATOM 1464 CG GLN A 128 -7.779 -2.122 -9.344 1.00 0.22 C ATOM 1465 CD GLN A 128 -9.262 -2.368 -9.096 1.00 11.43 C ATOM 1466 OE1 GLN A 128 -9.724 -2.099 -7.890 1.00 13.22 O flip ATOM 1467 NE2 GLN A 128 -9.994 -2.782 -9.990 1.00 30.12 N flip ATOM 0 H GLN A 128 -5.308 -3.947 -9.288 1.00 73.44 H new ATOM 0 HA GLN A 128 -5.308 -1.078 -8.748 1.00 42.12 H new ATOM 0 HB2 GLN A 128 -7.038 -3.394 -7.789 1.00 71.45 H new ATOM 0 HB3 GLN A 128 -7.278 -1.728 -7.300 1.00 71.45 H new ATOM 0 HG2 GLN A 128 -7.640 -1.096 -9.684 1.00 0.22 H new ATOM 0 HG3 GLN A 128 -7.439 -2.774 -10.149 1.00 0.22 H new ATOM 0 HE21 GLN A 128 -9.609 -2.982 -10.913 1.00 30.12 H new ATOM 0 HE22 GLN A 128 -10.988 -2.926 -9.810 1.00 30.12 H new ATOM 1476 N PHE A 129 -4.514 -0.990 -6.372 1.00 23.42 N ATOM 1477 CA PHE A 129 -3.796 -0.889 -5.099 1.00 45.52 C ATOM 1478 C PHE A 129 -4.265 0.326 -4.289 1.00 14.43 C ATOM 1479 O PHE A 129 -4.601 1.367 -4.853 1.00 1.25 O ATOM 1480 CB PHE A 129 -2.279 -0.804 -5.351 1.00 51.11 C ATOM 1481 CG PHE A 129 -1.901 0.208 -6.405 1.00 64.53 C ATOM 1482 CD1 PHE A 129 -1.904 -0.151 -7.744 1.00 1.14 C ATOM 1483 CD2 PHE A 129 -1.562 1.509 -6.065 1.00 54.32 C ATOM 1484 CE1 PHE A 129 -1.578 0.761 -8.721 1.00 51.02 C ATOM 1485 CE2 PHE A 129 -1.231 2.429 -7.042 1.00 60.12 C ATOM 1486 CZ PHE A 129 -1.240 2.055 -8.373 1.00 24.44 C ATOM 0 H PHE A 129 -4.866 -0.100 -6.724 1.00 23.42 H new ATOM 0 HA PHE A 129 -4.014 -1.785 -4.518 1.00 45.52 H new ATOM 0 HB2 PHE A 129 -1.777 -0.550 -4.417 1.00 51.11 H new ATOM 0 HB3 PHE A 129 -1.913 -1.785 -5.653 1.00 51.11 H new ATOM 0 HD1 PHE A 129 -2.166 -1.161 -8.024 1.00 1.14 H new ATOM 0 HD2 PHE A 129 -1.557 1.806 -5.027 1.00 54.32 H new ATOM 0 HE1 PHE A 129 -1.586 0.466 -9.760 1.00 51.02 H new ATOM 0 HE2 PHE A 129 -0.966 3.439 -6.766 1.00 60.12 H new ATOM 0 HZ PHE A 129 -0.984 2.772 -9.139 1.00 24.44 H new ATOM 1496 N VAL A 130 -4.293 0.187 -2.970 1.00 70.12 N ATOM 1497 CA VAL A 130 -4.684 1.291 -2.090 1.00 22.33 C ATOM 1498 C VAL A 130 -3.447 1.944 -1.447 1.00 1.43 C ATOM 1499 O VAL A 130 -2.578 1.263 -0.899 1.00 2.51 O ATOM 1500 CB VAL A 130 -5.680 0.821 -0.998 1.00 75.30 C ATOM 1501 CG1 VAL A 130 -5.086 -0.300 -0.150 1.00 73.22 C ATOM 1502 CG2 VAL A 130 -6.124 1.996 -0.128 1.00 54.31 C ATOM 0 H VAL A 130 -4.051 -0.676 -2.483 1.00 70.12 H new ATOM 0 HA VAL A 130 -5.189 2.037 -2.704 1.00 22.33 H new ATOM 0 HB VAL A 130 -6.561 0.420 -1.499 1.00 75.30 H new ATOM 0 HG11 VAL A 130 -5.809 -0.607 0.606 1.00 73.22 H new ATOM 0 HG12 VAL A 130 -4.845 -1.150 -0.788 1.00 73.22 H new ATOM 0 HG13 VAL A 130 -4.179 0.055 0.339 1.00 73.22 H new ATOM 0 HG21 VAL A 130 -6.822 1.643 0.631 1.00 54.31 H new ATOM 0 HG22 VAL A 130 -5.254 2.439 0.357 1.00 54.31 H new ATOM 0 HG23 VAL A 130 -6.613 2.745 -0.751 1.00 54.31 H new ATOM 1512 N HIS A 131 -3.367 3.268 -1.533 1.00 73.04 N ATOM 1513 CA HIS A 131 -2.197 4.012 -1.050 1.00 52.33 C ATOM 1514 C HIS A 131 -2.583 5.423 -0.587 1.00 61.43 C ATOM 1515 O HIS A 131 -3.753 5.806 -0.633 1.00 3.40 O ATOM 1516 CB HIS A 131 -1.148 4.111 -2.162 1.00 33.33 C ATOM 1517 CG HIS A 131 -1.601 4.928 -3.339 1.00 14.35 C ATOM 1518 ND1 HIS A 131 -1.050 6.156 -3.615 1.00 11.34 N ATOM 1519 CD2 HIS A 131 -2.552 4.656 -4.268 1.00 42.52 C ATOM 1520 CE1 HIS A 131 -1.670 6.601 -4.692 1.00 54.11 C ATOM 1521 NE2 HIS A 131 -2.586 5.726 -5.121 1.00 40.21 N ATOM 0 H HIS A 131 -4.099 3.855 -1.934 1.00 73.04 H new ATOM 0 HA HIS A 131 -1.785 3.472 -0.198 1.00 52.33 H new ATOM 0 HB2 HIS A 131 -0.237 4.549 -1.754 1.00 33.33 H new ATOM 0 HB3 HIS A 131 -0.894 3.107 -2.502 1.00 33.33 H new ATOM 0 HD2 HIS A 131 -3.164 3.768 -4.324 1.00 42.52 H new ATOM 0 HE1 HIS A 131 -1.464 7.549 -5.166 1.00 54.11 H new ATOM 0 HE2 HIS A 131 -3.195 5.835 -5.932 1.00 40.21 H new ATOM 1529 N ALA A 132 -1.588 6.196 -0.157 1.00 60.32 N ATOM 1530 CA ALA A 132 -1.813 7.573 0.293 1.00 61.42 C ATOM 1531 C ALA A 132 -1.207 8.592 -0.687 1.00 4.24 C ATOM 1532 O ALA A 132 0.000 8.836 -0.682 1.00 54.35 O ATOM 1533 CB ALA A 132 -1.241 7.771 1.693 1.00 22.40 C ATOM 0 H ALA A 132 -0.615 5.894 -0.110 1.00 60.32 H new ATOM 0 HA ALA A 132 -2.889 7.744 0.324 1.00 61.42 H new ATOM 0 HB1 ALA A 132 -1.415 8.798 2.015 1.00 22.40 H new ATOM 0 HB2 ALA A 132 -1.729 7.086 2.386 1.00 22.40 H new ATOM 0 HB3 ALA A 132 -0.170 7.571 1.680 1.00 22.40 H new ATOM 1539 N SER A 133 -2.054 9.158 -1.541 1.00 44.24 N ATOM 1540 CA SER A 133 -1.636 10.208 -2.483 1.00 40.34 C ATOM 1541 C SER A 133 -1.228 11.489 -1.749 1.00 74.20 C ATOM 1542 O SER A 133 -1.918 11.934 -0.833 1.00 74.41 O ATOM 1543 CB SER A 133 -2.765 10.531 -3.470 1.00 30.31 C ATOM 1544 OG SER A 133 -2.454 11.672 -4.260 1.00 33.10 O ATOM 0 H SER A 133 -3.041 8.910 -1.605 1.00 44.24 H new ATOM 0 HA SER A 133 -0.773 9.826 -3.028 1.00 40.34 H new ATOM 0 HB2 SER A 133 -2.939 9.673 -4.120 1.00 30.31 H new ATOM 0 HB3 SER A 133 -3.690 10.708 -2.921 1.00 30.31 H new ATOM 0 HG SER A 133 -3.191 11.851 -4.880 1.00 33.10 H new ATOM 1550 N THR A 134 -0.119 12.089 -2.179 1.00 54.41 N ATOM 1551 CA THR A 134 0.408 13.314 -1.555 1.00 0.42 C ATOM 1552 C THR A 134 -0.617 14.456 -1.561 1.00 71.44 C ATOM 1553 O THR A 134 -0.564 15.351 -0.717 1.00 55.25 O ATOM 1554 CB THR A 134 1.693 13.807 -2.266 1.00 41.11 C ATOM 1555 OG1 THR A 134 1.394 14.178 -3.624 1.00 13.40 O ATOM 1556 CG2 THR A 134 2.774 12.728 -2.254 1.00 73.35 C ATOM 0 H THR A 134 0.439 11.748 -2.962 1.00 54.41 H new ATOM 0 HA THR A 134 0.636 13.046 -0.523 1.00 0.42 H new ATOM 0 HB THR A 134 2.067 14.677 -1.725 1.00 41.11 H new ATOM 0 HG1 THR A 134 2.211 14.490 -4.065 1.00 13.40 H new ATOM 0 HG21 THR A 134 3.665 13.100 -2.759 1.00 73.35 H new ATOM 0 HG22 THR A 134 3.021 12.472 -1.224 1.00 73.35 H new ATOM 0 HG23 THR A 134 2.408 11.841 -2.770 1.00 73.35 H new ATOM 1564 N SER A 135 -1.548 14.423 -2.515 1.00 32.32 N ATOM 1565 CA SER A 135 -2.566 15.478 -2.642 1.00 24.31 C ATOM 1566 C SER A 135 -3.911 15.063 -2.023 1.00 41.14 C ATOM 1567 O SER A 135 -4.406 15.706 -1.094 1.00 3.25 O ATOM 1568 CB SER A 135 -2.777 15.847 -4.116 1.00 4.12 C ATOM 1569 OG SER A 135 -3.772 16.849 -4.257 1.00 21.00 O ATOM 0 H SER A 135 -1.622 13.681 -3.211 1.00 32.32 H new ATOM 0 HA SER A 135 -2.194 16.344 -2.094 1.00 24.31 H new ATOM 0 HB2 SER A 135 -1.838 16.200 -4.543 1.00 4.12 H new ATOM 0 HB3 SER A 135 -3.069 14.960 -4.678 1.00 4.12 H new ATOM 0 HG SER A 135 -3.885 17.066 -5.206 1.00 21.00 H new ATOM 1575 N SER A 136 -4.508 13.992 -2.547 1.00 42.15 N ATOM 1576 CA SER A 136 -5.845 13.557 -2.108 1.00 4.14 C ATOM 1577 C SER A 136 -5.827 12.910 -0.716 1.00 24.12 C ATOM 1578 O SER A 136 -6.583 13.310 0.176 1.00 53.35 O ATOM 1579 CB SER A 136 -6.446 12.570 -3.119 1.00 4.43 C ATOM 1580 OG SER A 136 -6.659 13.186 -4.379 1.00 41.02 O ATOM 0 H SER A 136 -4.093 13.408 -3.273 1.00 42.15 H new ATOM 0 HA SER A 136 -6.461 14.454 -2.050 1.00 4.14 H new ATOM 0 HB2 SER A 136 -5.778 11.717 -3.238 1.00 4.43 H new ATOM 0 HB3 SER A 136 -7.391 12.185 -2.736 1.00 4.43 H new ATOM 0 HG SER A 136 -7.041 12.533 -5.002 1.00 41.02 H new ATOM 1586 N GLY A 137 -4.964 11.916 -0.536 1.00 64.41 N ATOM 1587 CA GLY A 137 -4.946 11.135 0.699 1.00 4.43 C ATOM 1588 C GLY A 137 -5.043 9.633 0.436 1.00 73.30 C ATOM 1589 O GLY A 137 -4.545 9.150 -0.580 1.00 13.34 O ATOM 0 H GLY A 137 -4.269 11.631 -1.226 1.00 64.41 H new ATOM 0 HA2 GLY A 137 -4.028 11.347 1.247 1.00 4.43 H new ATOM 0 HA3 GLY A 137 -5.776 11.445 1.334 1.00 4.43 H new ATOM 1593 N VAL A 138 -5.686 8.895 1.336 1.00 23.12 N ATOM 1594 CA VAL A 138 -5.815 7.437 1.190 1.00 12.20 C ATOM 1595 C VAL A 138 -6.885 7.053 0.147 1.00 72.12 C ATOM 1596 O VAL A 138 -8.085 7.181 0.398 1.00 5.03 O ATOM 1597 CB VAL A 138 -6.155 6.765 2.544 1.00 12.24 C ATOM 1598 CG1 VAL A 138 -6.274 5.251 2.384 1.00 30.42 C ATOM 1599 CG2 VAL A 138 -5.112 7.125 3.602 1.00 32.41 C ATOM 0 H VAL A 138 -6.127 9.275 2.174 1.00 23.12 H new ATOM 0 HA VAL A 138 -4.848 7.075 0.842 1.00 12.20 H new ATOM 0 HB VAL A 138 -7.121 7.143 2.880 1.00 12.24 H new ATOM 0 HG11 VAL A 138 -6.513 4.801 3.348 1.00 30.42 H new ATOM 0 HG12 VAL A 138 -7.065 5.022 1.670 1.00 30.42 H new ATOM 0 HG13 VAL A 138 -5.329 4.848 2.020 1.00 30.42 H new ATOM 0 HG21 VAL A 138 -5.369 6.643 4.545 1.00 32.41 H new ATOM 0 HG22 VAL A 138 -4.130 6.783 3.276 1.00 32.41 H new ATOM 0 HG23 VAL A 138 -5.092 8.206 3.740 1.00 32.41 H new ATOM 1609 N ILE A 139 -6.442 6.585 -1.025 1.00 52.14 N ATOM 1610 CA ILE A 139 -7.353 6.183 -2.112 1.00 21.13 C ATOM 1611 C ILE A 139 -6.858 4.909 -2.824 1.00 61.14 C ATOM 1612 O ILE A 139 -5.764 4.411 -2.547 1.00 33.53 O ATOM 1613 CB ILE A 139 -7.537 7.306 -3.185 1.00 24.14 C ATOM 1614 CG1 ILE A 139 -6.297 7.436 -4.101 1.00 13.41 C ATOM 1615 CG2 ILE A 139 -7.852 8.649 -2.527 1.00 62.14 C ATOM 1616 CD1 ILE A 139 -5.015 7.825 -3.389 1.00 23.10 C ATOM 0 H ILE A 139 -5.453 6.473 -1.249 1.00 52.14 H new ATOM 0 HA ILE A 139 -8.313 5.991 -1.632 1.00 21.13 H new ATOM 0 HB ILE A 139 -8.383 7.016 -3.808 1.00 24.14 H new ATOM 0 HG12 ILE A 139 -6.138 6.486 -4.610 1.00 13.41 H new ATOM 0 HG13 ILE A 139 -6.508 8.179 -4.870 1.00 13.41 H new ATOM 0 HG21 ILE A 139 -7.975 9.411 -3.296 1.00 62.14 H new ATOM 0 HG22 ILE A 139 -8.773 8.564 -1.950 1.00 62.14 H new ATOM 0 HG23 ILE A 139 -7.033 8.931 -1.865 1.00 62.14 H new ATOM 0 HD11 ILE A 139 -4.203 7.891 -4.113 1.00 23.10 H new ATOM 0 HD12 ILE A 139 -5.148 8.792 -2.903 1.00 23.10 H new ATOM 0 HD13 ILE A 139 -4.772 7.072 -2.639 1.00 23.10 H new ATOM 1628 N ILE A 140 -7.669 4.388 -3.743 1.00 73.24 N ATOM 1629 CA ILE A 140 -7.281 3.232 -4.565 1.00 13.03 C ATOM 1630 C ILE A 140 -6.942 3.661 -6.006 1.00 52.12 C ATOM 1631 O ILE A 140 -7.764 4.276 -6.687 1.00 53.44 O ATOM 1632 CB ILE A 140 -8.410 2.168 -4.611 1.00 53.02 C ATOM 1633 CG1 ILE A 140 -8.754 1.678 -3.192 1.00 12.24 C ATOM 1634 CG2 ILE A 140 -8.011 0.992 -5.509 1.00 70.23 C ATOM 1635 CD1 ILE A 140 -9.866 0.649 -3.151 1.00 21.11 C ATOM 0 H ILE A 140 -8.603 4.746 -3.941 1.00 73.24 H new ATOM 0 HA ILE A 140 -6.396 2.797 -4.100 1.00 13.03 H new ATOM 0 HB ILE A 140 -9.299 2.633 -5.036 1.00 53.02 H new ATOM 0 HG12 ILE A 140 -7.860 1.250 -2.739 1.00 12.24 H new ATOM 0 HG13 ILE A 140 -9.042 2.534 -2.582 1.00 12.24 H new ATOM 0 HG21 ILE A 140 -8.817 0.258 -5.527 1.00 70.23 H new ATOM 0 HG22 ILE A 140 -7.827 1.353 -6.521 1.00 70.23 H new ATOM 0 HG23 ILE A 140 -7.105 0.527 -5.119 1.00 70.23 H new ATOM 0 HD11 ILE A 140 -10.050 0.353 -2.118 1.00 21.11 H new ATOM 0 HD12 ILE A 140 -10.775 1.078 -3.573 1.00 21.11 H new ATOM 0 HD13 ILE A 140 -9.574 -0.226 -3.732 1.00 21.11 H new ATOM 1647 N SER A 141 -5.731 3.340 -6.460 1.00 0.45 N ATOM 1648 CA SER A 141 -5.307 3.630 -7.844 1.00 2.01 C ATOM 1649 C SER A 141 -5.023 2.338 -8.622 1.00 24.34 C ATOM 1650 O SER A 141 -5.035 1.246 -8.052 1.00 20.10 O ATOM 1651 CB SER A 141 -4.063 4.532 -7.854 1.00 34.31 C ATOM 1652 OG SER A 141 -4.348 5.810 -7.303 1.00 45.11 O ATOM 0 H SER A 141 -5.019 2.878 -5.894 1.00 0.45 H new ATOM 0 HA SER A 141 -6.127 4.153 -8.336 1.00 2.01 H new ATOM 0 HB2 SER A 141 -3.263 4.058 -7.285 1.00 34.31 H new ATOM 0 HB3 SER A 141 -3.702 4.646 -8.876 1.00 34.31 H new ATOM 0 HG SER A 141 -3.771 6.483 -7.721 1.00 45.11 H new ATOM 1658 N SER A 142 -4.758 2.456 -9.926 1.00 4.13 N ATOM 1659 CA SER A 142 -4.566 1.272 -10.780 1.00 75.11 C ATOM 1660 C SER A 142 -3.393 1.437 -11.763 1.00 10.54 C ATOM 1661 O SER A 142 -3.216 2.494 -12.364 1.00 30.12 O ATOM 1662 CB SER A 142 -5.847 0.982 -11.568 1.00 10.34 C ATOM 1663 OG SER A 142 -6.937 0.690 -10.708 1.00 24.22 O ATOM 0 H SER A 142 -4.671 3.348 -10.413 1.00 4.13 H new ATOM 0 HA SER A 142 -4.330 0.439 -10.118 1.00 75.11 H new ATOM 0 HB2 SER A 142 -6.094 1.842 -12.190 1.00 10.34 H new ATOM 0 HB3 SER A 142 -5.678 0.141 -12.240 1.00 10.34 H new ATOM 0 HG SER A 142 -7.686 0.343 -11.236 1.00 24.22 H new ATOM 1669 N MET A 143 -2.612 0.368 -11.948 1.00 41.44 N ATOM 1670 CA MET A 143 -1.456 0.391 -12.860 1.00 34.40 C ATOM 1671 C MET A 143 -1.856 0.251 -14.340 1.00 54.51 C ATOM 1672 O MET A 143 -0.995 0.073 -15.200 1.00 4.44 O ATOM 1673 CB MET A 143 -0.432 -0.699 -12.490 1.00 23.04 C ATOM 1674 CG MET A 143 0.471 -0.332 -11.318 1.00 64.12 C ATOM 1675 SD MET A 143 1.805 -1.522 -11.064 1.00 45.44 S ATOM 1676 CE MET A 143 0.892 -2.959 -10.512 1.00 54.12 C ATOM 0 H MET A 143 -2.757 -0.526 -11.479 1.00 41.44 H new ATOM 0 HA MET A 143 -0.998 1.372 -12.737 1.00 34.40 H new ATOM 0 HB2 MET A 143 -0.967 -1.618 -12.249 1.00 23.04 H new ATOM 0 HB3 MET A 143 0.189 -0.910 -13.361 1.00 23.04 H new ATOM 0 HG2 MET A 143 0.899 0.656 -11.490 1.00 64.12 H new ATOM 0 HG3 MET A 143 -0.128 -0.266 -10.410 1.00 64.12 H new ATOM 0 HE1 MET A 143 1.588 -3.715 -10.148 1.00 54.12 H new ATOM 0 HE2 MET A 143 0.214 -2.673 -9.708 1.00 54.12 H new ATOM 0 HE3 MET A 143 0.317 -3.366 -11.344 1.00 54.12 H new ATOM 1686 N ASN A 144 -3.151 0.307 -14.649 1.00 63.50 N ATOM 1687 CA ASN A 144 -3.570 0.468 -16.046 1.00 23.24 C ATOM 1688 C ASN A 144 -3.420 1.938 -16.465 1.00 75.03 C ATOM 1689 O ASN A 144 -3.325 2.254 -17.652 1.00 13.53 O ATOM 1690 CB ASN A 144 -5.009 -0.015 -16.279 1.00 24.23 C ATOM 1691 CG ASN A 144 -6.033 0.703 -15.420 1.00 60.21 C ATOM 1692 OD1 ASN A 144 -6.474 1.800 -15.741 1.00 1.21 O ATOM 1693 ND2 ASN A 144 -6.449 0.071 -14.347 1.00 32.11 N ATOM 0 H ASN A 144 -3.912 0.245 -13.973 1.00 63.50 H new ATOM 0 HA ASN A 144 -2.922 -0.155 -16.663 1.00 23.24 H new ATOM 0 HB2 ASN A 144 -5.265 0.124 -17.329 1.00 24.23 H new ATOM 0 HB3 ASN A 144 -5.062 -1.085 -16.077 1.00 24.23 H new ATOM 0 HD21 ASN A 144 -7.161 0.492 -13.751 1.00 32.11 H new ATOM 0 HD22 ASN A 144 -6.060 -0.841 -14.110 1.00 32.11 H new ATOM 1700 N GLU A 145 -3.390 2.822 -15.467 1.00 20.15 N ATOM 1701 CA GLU A 145 -3.124 4.245 -15.689 1.00 23.45 C ATOM 1702 C GLU A 145 -1.665 4.456 -16.132 1.00 4.44 C ATOM 1703 O GLU A 145 -0.738 4.008 -15.453 1.00 34.22 O ATOM 1704 CB GLU A 145 -3.400 5.037 -14.400 1.00 53.44 C ATOM 1705 CG GLU A 145 -4.834 4.918 -13.888 1.00 0.44 C ATOM 1706 CD GLU A 145 -5.061 5.681 -12.589 1.00 12.22 C ATOM 1707 OE1 GLU A 145 -5.075 6.933 -12.626 1.00 45.23 O ATOM 1708 OE2 GLU A 145 -5.246 5.039 -11.532 1.00 32.13 O ATOM 0 H GLU A 145 -3.548 2.576 -14.490 1.00 20.15 H new ATOM 0 HA GLU A 145 -3.784 4.604 -16.479 1.00 23.45 H new ATOM 0 HB2 GLU A 145 -2.718 4.693 -13.622 1.00 53.44 H new ATOM 0 HB3 GLU A 145 -3.175 6.089 -14.578 1.00 53.44 H new ATOM 0 HG2 GLU A 145 -5.519 5.292 -14.649 1.00 0.44 H new ATOM 0 HG3 GLU A 145 -5.074 3.866 -13.733 1.00 0.44 H new ATOM 1715 N PRO A 146 -1.445 5.140 -17.275 1.00 51.30 N ATOM 1716 CA PRO A 146 -0.101 5.337 -17.851 1.00 11.22 C ATOM 1717 C PRO A 146 0.979 5.715 -16.823 1.00 41.32 C ATOM 1718 O PRO A 146 2.059 5.116 -16.801 1.00 51.10 O ATOM 1719 CB PRO A 146 -0.327 6.477 -18.848 1.00 72.31 C ATOM 1720 CG PRO A 146 -1.734 6.287 -19.306 1.00 4.41 C ATOM 1721 CD PRO A 146 -2.493 5.774 -18.107 1.00 41.13 C ATOM 0 HA PRO A 146 0.282 4.416 -18.289 1.00 11.22 H new ATOM 0 HB2 PRO A 146 -0.189 7.451 -18.378 1.00 72.31 H new ATOM 0 HB3 PRO A 146 0.374 6.423 -19.681 1.00 72.31 H new ATOM 0 HG2 PRO A 146 -2.158 7.225 -19.665 1.00 4.41 H new ATOM 0 HG3 PRO A 146 -1.783 5.578 -20.132 1.00 4.41 H new ATOM 0 HD2 PRO A 146 -2.993 6.582 -17.574 1.00 41.13 H new ATOM 0 HD3 PRO A 146 -3.263 5.058 -18.396 1.00 41.13 H new ATOM 1729 N TYR A 147 0.686 6.698 -15.969 1.00 50.34 N ATOM 1730 CA TYR A 147 1.646 7.156 -14.955 1.00 53.14 C ATOM 1731 C TYR A 147 2.094 6.010 -14.031 1.00 75.33 C ATOM 1732 O TYR A 147 3.288 5.802 -13.821 1.00 73.45 O ATOM 1733 CB TYR A 147 1.044 8.298 -14.118 1.00 72.44 C ATOM 1734 CG TYR A 147 1.941 8.765 -12.982 1.00 13.40 C ATOM 1735 CD1 TYR A 147 3.097 9.501 -13.237 1.00 53.10 C ATOM 1736 CD2 TYR A 147 1.634 8.470 -11.656 1.00 12.50 C ATOM 1737 CE1 TYR A 147 3.916 9.923 -12.206 1.00 53.21 C ATOM 1738 CE2 TYR A 147 2.449 8.892 -10.621 1.00 62.35 C ATOM 1739 CZ TYR A 147 3.588 9.616 -10.901 1.00 43.31 C ATOM 1740 OH TYR A 147 4.403 10.035 -9.873 1.00 34.23 O ATOM 0 H TYR A 147 -0.206 7.193 -15.957 1.00 50.34 H new ATOM 0 HA TYR A 147 2.525 7.523 -15.485 1.00 53.14 H new ATOM 0 HB2 TYR A 147 0.833 9.143 -14.773 1.00 72.44 H new ATOM 0 HB3 TYR A 147 0.091 7.969 -13.704 1.00 72.44 H new ATOM 0 HD1 TYR A 147 3.357 9.746 -14.256 1.00 53.10 H new ATOM 0 HD2 TYR A 147 0.744 7.901 -11.432 1.00 12.50 H new ATOM 0 HE1 TYR A 147 4.809 10.491 -12.421 1.00 53.21 H new ATOM 0 HE2 TYR A 147 2.194 8.655 -9.599 1.00 62.35 H new ATOM 0 HH TYR A 147 4.029 9.737 -9.017 1.00 34.23 H new ATOM 1750 N TRP A 148 1.134 5.249 -13.508 1.00 53.21 N ATOM 1751 CA TRP A 148 1.438 4.186 -12.539 1.00 32.34 C ATOM 1752 C TRP A 148 2.086 2.976 -13.221 1.00 4.21 C ATOM 1753 O TRP A 148 3.021 2.375 -12.692 1.00 52.33 O ATOM 1754 CB TRP A 148 0.166 3.747 -11.797 1.00 14.15 C ATOM 1755 CG TRP A 148 -0.456 4.831 -10.961 1.00 3.04 C ATOM 1756 CD1 TRP A 148 -1.685 5.403 -11.132 1.00 60.11 C ATOM 1757 CD2 TRP A 148 0.126 5.476 -9.818 1.00 13.02 C ATOM 1758 NE1 TRP A 148 -1.900 6.358 -10.170 1.00 13.14 N ATOM 1759 CE2 TRP A 148 -0.806 6.423 -9.352 1.00 53.30 C ATOM 1760 CE3 TRP A 148 1.341 5.341 -9.142 1.00 3.21 C ATOM 1761 CZ2 TRP A 148 -0.559 7.231 -8.245 1.00 12.21 C ATOM 1762 CZ3 TRP A 148 1.587 6.146 -8.046 1.00 22.14 C ATOM 1763 CH2 TRP A 148 0.641 7.079 -7.604 1.00 25.31 C ATOM 0 H TRP A 148 0.144 5.344 -13.734 1.00 53.21 H new ATOM 0 HA TRP A 148 2.147 4.594 -11.819 1.00 32.34 H new ATOM 0 HB2 TRP A 148 -0.566 3.398 -12.526 1.00 14.15 H new ATOM 0 HB3 TRP A 148 0.406 2.899 -11.155 1.00 14.15 H new ATOM 0 HD1 TRP A 148 -2.386 5.142 -11.911 1.00 60.11 H new ATOM 0 HE1 TRP A 148 -2.741 6.928 -10.080 1.00 13.14 H new ATOM 0 HE3 TRP A 148 2.075 4.620 -9.470 1.00 3.21 H new ATOM 0 HZ2 TRP A 148 -1.288 7.952 -7.904 1.00 12.21 H new ATOM 0 HZ3 TRP A 148 2.526 6.054 -7.521 1.00 22.14 H new ATOM 0 HH2 TRP A 148 0.862 7.690 -6.741 1.00 25.31 H new ATOM 1774 N LYS A 149 1.591 2.647 -14.410 1.00 62.11 N ATOM 1775 CA LYS A 149 2.078 1.495 -15.176 1.00 3.02 C ATOM 1776 C LYS A 149 3.599 1.550 -15.403 1.00 3.41 C ATOM 1777 O LYS A 149 4.297 0.545 -15.247 1.00 61.24 O ATOM 1778 CB LYS A 149 1.355 1.429 -16.529 1.00 63.11 C ATOM 1779 CG LYS A 149 1.723 0.207 -17.369 1.00 51.41 C ATOM 1780 CD LYS A 149 0.977 0.188 -18.702 1.00 20.15 C ATOM 1781 CE LYS A 149 1.290 1.417 -19.544 1.00 52.01 C ATOM 1782 NZ LYS A 149 0.544 1.420 -20.828 1.00 31.54 N ATOM 0 H LYS A 149 0.844 3.166 -14.872 1.00 62.11 H new ATOM 0 HA LYS A 149 1.864 0.599 -14.593 1.00 3.02 H new ATOM 0 HB2 LYS A 149 0.279 1.427 -16.355 1.00 63.11 H new ATOM 0 HB3 LYS A 149 1.585 2.331 -17.097 1.00 63.11 H new ATOM 0 HG2 LYS A 149 2.797 0.203 -17.554 1.00 51.41 H new ATOM 0 HG3 LYS A 149 1.493 -0.700 -16.811 1.00 51.41 H new ATOM 0 HD2 LYS A 149 1.247 -0.711 -19.257 1.00 20.15 H new ATOM 0 HD3 LYS A 149 -0.096 0.138 -18.517 1.00 20.15 H new ATOM 0 HE2 LYS A 149 1.042 2.316 -18.979 1.00 52.01 H new ATOM 0 HE3 LYS A 149 2.360 1.454 -19.747 1.00 52.01 H new ATOM 0 HZ1 LYS A 149 0.787 2.274 -21.369 1.00 31.54 H new ATOM 0 HZ2 LYS A 149 0.799 0.576 -21.380 1.00 31.54 H new ATOM 0 HZ3 LYS A 149 -0.478 1.412 -20.636 1.00 31.54 H new ATOM 1796 N LYS A 150 4.103 2.727 -15.770 1.00 22.45 N ATOM 1797 CA LYS A 150 5.528 2.899 -16.083 1.00 22.54 C ATOM 1798 C LYS A 150 6.355 3.310 -14.851 1.00 42.41 C ATOM 1799 O LYS A 150 7.576 3.153 -14.840 1.00 1.35 O ATOM 1800 CB LYS A 150 5.697 3.935 -17.204 1.00 71.12 C ATOM 1801 CG LYS A 150 5.198 5.330 -16.843 1.00 34.04 C ATOM 1802 CD LYS A 150 5.254 6.281 -18.038 1.00 14.04 C ATOM 1803 CE LYS A 150 4.326 5.836 -19.165 1.00 53.41 C ATOM 1804 NZ LYS A 150 4.369 6.764 -20.327 1.00 64.31 N ATOM 0 H LYS A 150 3.549 3.579 -15.859 1.00 22.45 H new ATOM 0 HA LYS A 150 5.907 1.932 -16.415 1.00 22.54 H new ATOM 0 HB2 LYS A 150 6.752 3.996 -17.472 1.00 71.12 H new ATOM 0 HB3 LYS A 150 5.163 3.588 -18.089 1.00 71.12 H new ATOM 0 HG2 LYS A 150 4.173 5.266 -16.478 1.00 34.04 H new ATOM 0 HG3 LYS A 150 5.802 5.733 -16.030 1.00 34.04 H new ATOM 0 HD2 LYS A 150 4.978 7.285 -17.716 1.00 14.04 H new ATOM 0 HD3 LYS A 150 6.277 6.336 -18.411 1.00 14.04 H new ATOM 0 HE2 LYS A 150 4.607 4.835 -19.491 1.00 53.41 H new ATOM 0 HE3 LYS A 150 3.305 5.774 -18.789 1.00 53.41 H new ATOM 0 HZ1 LYS A 150 3.724 6.423 -21.068 1.00 64.31 H new ATOM 0 HZ2 LYS A 150 4.076 7.714 -20.023 1.00 64.31 H new ATOM 0 HZ3 LYS A 150 5.338 6.804 -20.703 1.00 64.31 H new ATOM 1818 N ARG A 151 5.699 3.840 -13.816 1.00 55.12 N ATOM 1819 CA ARG A 151 6.405 4.273 -12.599 1.00 32.40 C ATOM 1820 C ARG A 151 6.654 3.089 -11.644 1.00 34.02 C ATOM 1821 O ARG A 151 7.470 3.183 -10.718 1.00 2.33 O ATOM 1822 CB ARG A 151 5.610 5.374 -11.874 1.00 54.32 C ATOM 1823 CG ARG A 151 6.470 6.531 -11.366 1.00 31.43 C ATOM 1824 CD ARG A 151 7.063 7.344 -12.515 1.00 45.12 C ATOM 1825 NE ARG A 151 7.909 8.439 -12.034 1.00 21.22 N ATOM 1826 CZ ARG A 151 7.892 9.652 -12.519 1.00 31.42 C ATOM 1827 NH1 ARG A 151 7.086 9.970 -13.480 1.00 5.23 N ATOM 1828 NH2 ARG A 151 8.693 10.551 -12.043 1.00 63.32 N ATOM 0 H ARG A 151 4.689 3.981 -13.792 1.00 55.12 H new ATOM 0 HA ARG A 151 7.371 4.675 -12.904 1.00 32.40 H new ATOM 0 HB2 ARG A 151 4.853 5.768 -12.553 1.00 54.32 H new ATOM 0 HB3 ARG A 151 5.081 4.930 -11.030 1.00 54.32 H new ATOM 0 HG2 ARG A 151 5.866 7.182 -10.734 1.00 31.43 H new ATOM 0 HG3 ARG A 151 7.275 6.140 -10.744 1.00 31.43 H new ATOM 0 HD2 ARG A 151 7.650 6.688 -13.158 1.00 45.12 H new ATOM 0 HD3 ARG A 151 6.257 7.750 -13.125 1.00 45.12 H new ATOM 0 HE ARG A 151 8.554 8.241 -11.269 1.00 21.22 H new ATOM 0 HH11 ARG A 151 6.454 9.270 -13.868 1.00 5.23 H new ATOM 0 HH12 ARG A 151 7.083 10.921 -13.849 1.00 5.23 H new ATOM 0 HH21 ARG A 151 9.337 10.312 -11.289 1.00 63.32 H new ATOM 0 HH22 ARG A 151 8.680 11.498 -12.422 1.00 63.32 H new ATOM 1842 N TYR A 152 5.928 1.990 -11.862 1.00 74.30 N ATOM 1843 CA TYR A 152 6.098 0.763 -11.076 1.00 51.40 C ATOM 1844 C TYR A 152 7.533 0.217 -11.168 1.00 53.41 C ATOM 1845 O TYR A 152 7.970 -0.249 -12.223 1.00 64.43 O ATOM 1846 CB TYR A 152 5.094 -0.297 -11.554 1.00 1.13 C ATOM 1847 CG TYR A 152 5.296 -1.675 -10.941 1.00 4.04 C ATOM 1848 CD1 TYR A 152 4.919 -1.947 -9.628 1.00 14.51 C ATOM 1849 CD2 TYR A 152 5.862 -2.708 -11.683 1.00 62.44 C ATOM 1850 CE1 TYR A 152 5.105 -3.202 -9.080 1.00 5.54 C ATOM 1851 CE2 TYR A 152 6.050 -3.961 -11.140 1.00 31.32 C ATOM 1852 CZ TYR A 152 5.669 -4.206 -9.842 1.00 31.41 C ATOM 1853 OH TYR A 152 5.863 -5.455 -9.302 1.00 14.43 O ATOM 0 H TYR A 152 5.210 1.924 -12.583 1.00 74.30 H new ATOM 0 HA TYR A 152 5.909 1.004 -10.030 1.00 51.40 H new ATOM 0 HB2 TYR A 152 4.085 0.046 -11.324 1.00 1.13 H new ATOM 0 HB3 TYR A 152 5.162 -0.382 -12.639 1.00 1.13 H new ATOM 0 HD1 TYR A 152 4.475 -1.166 -9.029 1.00 14.51 H new ATOM 0 HD2 TYR A 152 6.160 -2.524 -12.705 1.00 62.44 H new ATOM 0 HE1 TYR A 152 4.810 -3.397 -8.059 1.00 5.54 H new ATOM 0 HE2 TYR A 152 6.495 -4.747 -11.732 1.00 31.32 H new ATOM 0 HH TYR A 152 6.269 -6.042 -9.973 1.00 14.43 H new ATOM 1863 N ASN A 153 8.260 0.274 -10.054 1.00 32.11 N ATOM 1864 CA ASN A 153 9.624 -0.256 -9.995 1.00 13.31 C ATOM 1865 C ASN A 153 9.612 -1.761 -9.672 1.00 0.10 C ATOM 1866 O ASN A 153 10.116 -2.575 -10.446 1.00 61.45 O ATOM 1867 CB ASN A 153 10.445 0.511 -8.949 1.00 41.12 C ATOM 1868 CG ASN A 153 11.916 0.126 -8.962 1.00 45.52 C ATOM 1869 OD1 ASN A 153 12.716 0.706 -9.686 1.00 3.43 O ATOM 1870 ND2 ASN A 153 12.286 -0.850 -8.161 1.00 32.43 N ATOM 0 H ASN A 153 7.929 0.681 -9.179 1.00 32.11 H new ATOM 0 HA ASN A 153 10.088 -0.123 -10.972 1.00 13.31 H new ATOM 0 HB2 ASN A 153 10.352 1.581 -9.133 1.00 41.12 H new ATOM 0 HB3 ASN A 153 10.032 0.321 -7.958 1.00 41.12 H new ATOM 0 HD21 ASN A 153 13.263 -1.143 -8.131 1.00 32.43 H new ATOM 0 HD22 ASN A 153 11.596 -1.314 -7.570 1.00 32.43 H new ATOM 1877 N GLU A 154 9.025 -2.124 -8.531 1.00 14.15 N ATOM 1878 CA GLU A 154 8.952 -3.531 -8.107 1.00 71.00 C ATOM 1879 C GLU A 154 7.953 -3.713 -6.954 1.00 21.41 C ATOM 1880 O GLU A 154 7.708 -2.788 -6.181 1.00 74.00 O ATOM 1881 CB GLU A 154 10.341 -4.032 -7.675 1.00 1.11 C ATOM 1882 CG GLU A 154 10.859 -3.393 -6.388 1.00 51.02 C ATOM 1883 CD GLU A 154 12.324 -3.709 -6.118 1.00 25.10 C ATOM 1884 OE1 GLU A 154 12.609 -4.728 -5.462 1.00 61.01 O ATOM 1885 OE2 GLU A 154 13.197 -2.937 -6.564 1.00 60.53 O ATOM 0 H GLU A 154 8.592 -1.467 -7.881 1.00 14.15 H new ATOM 0 HA GLU A 154 8.606 -4.118 -8.958 1.00 71.00 H new ATOM 0 HB2 GLU A 154 10.301 -5.113 -7.541 1.00 1.11 H new ATOM 0 HB3 GLU A 154 11.052 -3.837 -8.477 1.00 1.11 H new ATOM 0 HG2 GLU A 154 10.731 -2.312 -6.448 1.00 51.02 H new ATOM 0 HG3 GLU A 154 10.257 -3.740 -5.548 1.00 51.02 H new ATOM 1892 N ALA A 155 7.369 -4.903 -6.857 1.00 5.40 N ATOM 1893 CA ALA A 155 6.490 -5.248 -5.735 1.00 51.24 C ATOM 1894 C ALA A 155 7.198 -6.200 -4.768 1.00 24.01 C ATOM 1895 O ALA A 155 7.990 -7.041 -5.188 1.00 23.11 O ATOM 1896 CB ALA A 155 5.199 -5.879 -6.238 1.00 50.12 C ATOM 0 H ALA A 155 7.486 -5.650 -7.542 1.00 5.40 H new ATOM 0 HA ALA A 155 6.245 -4.329 -5.203 1.00 51.24 H new ATOM 0 HB1 ALA A 155 4.561 -6.128 -5.390 1.00 50.12 H new ATOM 0 HB2 ALA A 155 4.680 -5.176 -6.889 1.00 50.12 H new ATOM 0 HB3 ALA A 155 5.431 -6.786 -6.796 1.00 50.12 H new ATOM 1902 N ARG A 156 6.919 -6.059 -3.475 1.00 41.42 N ATOM 1903 CA ARG A 156 7.537 -6.907 -2.450 1.00 70.32 C ATOM 1904 C ARG A 156 6.500 -7.410 -1.440 1.00 43.43 C ATOM 1905 O ARG A 156 5.864 -6.621 -0.741 1.00 22.41 O ATOM 1906 CB ARG A 156 8.657 -6.145 -1.724 1.00 71.20 C ATOM 1907 CG ARG A 156 9.820 -5.774 -2.634 1.00 60.42 C ATOM 1908 CD ARG A 156 10.993 -5.183 -1.864 1.00 13.11 C ATOM 1909 NE ARG A 156 12.143 -4.960 -2.735 1.00 40.40 N ATOM 1910 CZ ARG A 156 13.387 -5.136 -2.384 1.00 22.23 C ATOM 1911 NH1 ARG A 156 13.693 -5.521 -1.185 1.00 14.11 N ATOM 1912 NH2 ARG A 156 14.323 -4.940 -3.251 1.00 53.03 N ATOM 0 H ARG A 156 6.268 -5.365 -3.108 1.00 41.42 H new ATOM 0 HA ARG A 156 7.966 -7.774 -2.953 1.00 70.32 H new ATOM 0 HB2 ARG A 156 8.244 -5.237 -1.285 1.00 71.20 H new ATOM 0 HB3 ARG A 156 9.029 -6.756 -0.901 1.00 71.20 H new ATOM 0 HG2 ARG A 156 10.153 -6.661 -3.174 1.00 60.42 H new ATOM 0 HG3 ARG A 156 9.480 -5.056 -3.380 1.00 60.42 H new ATOM 0 HD2 ARG A 156 10.692 -4.240 -1.407 1.00 13.11 H new ATOM 0 HD3 ARG A 156 11.274 -5.855 -1.053 1.00 13.11 H new ATOM 0 HE ARG A 156 11.961 -4.644 -3.687 1.00 40.40 H new ATOM 0 HH11 ARG A 156 12.956 -5.691 -0.500 1.00 14.11 H new ATOM 0 HH12 ARG A 156 14.671 -5.654 -0.926 1.00 14.11 H new ATOM 0 HH21 ARG A 156 14.087 -4.650 -4.200 1.00 53.03 H new ATOM 0 HH22 ARG A 156 15.299 -5.075 -2.987 1.00 53.03 H new ATOM 1926 N ARG A 157 6.343 -8.726 -1.362 1.00 1.42 N ATOM 1927 CA ARG A 157 5.355 -9.335 -0.461 1.00 43.45 C ATOM 1928 C ARG A 157 5.882 -9.415 0.980 1.00 21.23 C ATOM 1929 O ARG A 157 6.966 -9.945 1.233 1.00 1.31 O ATOM 1930 CB ARG A 157 4.936 -10.741 -0.946 1.00 14.21 C ATOM 1931 CG ARG A 157 6.061 -11.775 -0.999 1.00 61.01 C ATOM 1932 CD ARG A 157 6.757 -11.824 -2.357 1.00 55.51 C ATOM 1933 NE ARG A 157 7.882 -12.752 -2.346 1.00 43.30 N ATOM 1934 CZ ARG A 157 7.985 -13.794 -3.119 1.00 75.43 C ATOM 1935 NH1 ARG A 157 7.075 -14.053 -3.999 1.00 63.11 N ATOM 1936 NH2 ARG A 157 9.005 -14.580 -3.000 1.00 24.01 N ATOM 0 H ARG A 157 6.883 -9.397 -1.908 1.00 1.42 H new ATOM 0 HA ARG A 157 4.477 -8.689 -0.474 1.00 43.45 H new ATOM 0 HB2 ARG A 157 4.151 -11.115 -0.289 1.00 14.21 H new ATOM 0 HB3 ARG A 157 4.501 -10.650 -1.941 1.00 14.21 H new ATOM 0 HG2 ARG A 157 6.796 -11.545 -0.227 1.00 61.01 H new ATOM 0 HG3 ARG A 157 5.654 -12.760 -0.769 1.00 61.01 H new ATOM 0 HD2 ARG A 157 6.042 -12.125 -3.123 1.00 55.51 H new ATOM 0 HD3 ARG A 157 7.108 -10.827 -2.623 1.00 55.51 H new ATOM 0 HE ARG A 157 8.640 -12.572 -1.687 1.00 43.30 H new ATOM 0 HH11 ARG A 157 6.266 -13.438 -4.093 1.00 63.11 H new ATOM 0 HH12 ARG A 157 7.165 -14.872 -4.600 1.00 63.11 H new ATOM 0 HH21 ARG A 157 9.723 -14.382 -2.303 1.00 24.01 H new ATOM 0 HH22 ARG A 157 9.091 -15.398 -3.603 1.00 24.01 H new ATOM 1950 N VAL A 158 5.118 -8.867 1.919 1.00 53.12 N ATOM 1951 CA VAL A 158 5.478 -8.922 3.342 1.00 15.03 C ATOM 1952 C VAL A 158 4.668 -9.991 4.102 1.00 22.33 C ATOM 1953 O VAL A 158 4.975 -10.315 5.249 1.00 33.01 O ATOM 1954 CB VAL A 158 5.289 -7.541 4.022 1.00 32.24 C ATOM 1955 CG1 VAL A 158 6.309 -6.536 3.488 1.00 22.33 C ATOM 1956 CG2 VAL A 158 3.866 -7.027 3.817 1.00 4.24 C ATOM 0 H VAL A 158 4.244 -8.378 1.726 1.00 53.12 H new ATOM 0 HA VAL A 158 6.531 -9.199 3.386 1.00 15.03 H new ATOM 0 HB VAL A 158 5.455 -7.662 5.093 1.00 32.24 H new ATOM 0 HG11 VAL A 158 6.161 -5.573 3.977 1.00 22.33 H new ATOM 0 HG12 VAL A 158 7.317 -6.896 3.694 1.00 22.33 H new ATOM 0 HG13 VAL A 158 6.178 -6.421 2.412 1.00 22.33 H new ATOM 0 HG21 VAL A 158 3.756 -6.057 4.302 1.00 4.24 H new ATOM 0 HG22 VAL A 158 3.667 -6.924 2.750 1.00 4.24 H new ATOM 0 HG23 VAL A 158 3.158 -7.733 4.252 1.00 4.24 H new ATOM 1966 N LEU A 159 3.642 -10.541 3.453 1.00 4.31 N ATOM 1967 CA LEU A 159 2.816 -11.597 4.058 1.00 72.41 C ATOM 1968 C LEU A 159 3.444 -12.986 3.863 1.00 41.43 C ATOM 1969 O LEU A 159 3.463 -13.523 2.753 1.00 0.14 O ATOM 1970 CB LEU A 159 1.400 -11.579 3.459 1.00 54.04 C ATOM 1971 CG LEU A 159 0.549 -10.350 3.814 1.00 65.25 C ATOM 1972 CD1 LEU A 159 -0.794 -10.391 3.091 1.00 24.22 C ATOM 1973 CD2 LEU A 159 0.343 -10.255 5.327 1.00 53.20 C ATOM 0 H LEU A 159 3.360 -10.276 2.509 1.00 4.31 H new ATOM 0 HA LEU A 159 2.759 -11.396 5.128 1.00 72.41 H new ATOM 0 HB2 LEU A 159 1.482 -11.642 2.374 1.00 54.04 H new ATOM 0 HB3 LEU A 159 0.872 -12.473 3.791 1.00 54.04 H new ATOM 0 HG LEU A 159 1.085 -9.460 3.484 1.00 65.25 H new ATOM 0 HD11 LEU A 159 -1.378 -9.511 3.359 1.00 24.22 H new ATOM 0 HD12 LEU A 159 -0.627 -10.402 2.014 1.00 24.22 H new ATOM 0 HD13 LEU A 159 -1.337 -11.290 3.383 1.00 24.22 H new ATOM 0 HD21 LEU A 159 -0.262 -9.378 5.557 1.00 53.20 H new ATOM 0 HD22 LEU A 159 -0.167 -11.151 5.682 1.00 53.20 H new ATOM 0 HD23 LEU A 159 1.311 -10.168 5.821 1.00 53.20 H new