USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=31 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 68 CYS SG : rot 42:sc= -0.55 USER MOD Set 1.2: A 119 HIS : no HE2:sc= 0.477 K(o=3,f=-6.8!) USER MOD Set 1.3: A 131 HIS : no HE2:sc= 1.68 K(o=3,f=-14!) USER MOD Set 1.4: A 141 SER OG : rot 132:sc= 1.39 USER MOD Set 2.1: A 134 THR OG1 : rot 180:sc= -0.205 USER MOD Set 2.2: A 135 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 123 TYR OH : rot 180:sc= 0.645 USER MOD Set 3.2: A 127 ASN : amide:sc= -0.917 X(o=-0.27,f=-0.17) USER MOD Set 3.3: A 144 ASN : amide:sc= 0 K(o=-0.27,f=-0.9) USER MOD Set 4.1: A 47 GLN : amide:sc= -1 K(o=-0.56,f=-5.4!) USER MOD Set 4.2: A 79 GLN : amide:sc= 0.443 K(o=-0.56,f=-7.5!) USER MOD Set 5.1: A 69 SER OG : rot 166:sc= 0.812 USER MOD Set 5.2: A 88 THR OG1 : rot -36:sc= 0.944 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -55:sc= 0.59 USER MOD Single : A 45 MET CE :methyl -106:sc= -0.618 (180deg=-3.24!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 147:sc= -1.46 (180deg=-3.88!) USER MOD Single : A 56 TYR OH : rot 150:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.568 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.369 USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= 0.802 (180deg=0.402) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc=-0.00488 X(o=-0.0049,f=-0.23) USER MOD Single : A 75 THR OG1 : rot 70:sc= 0.833 USER MOD Single : A 87 SER OG : rot 145:sc=0.000903 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 1.85 K(o=1.8,f=-1.5) USER MOD Single : A 92 GLN : amide:sc=-0.00959 K(o=-0.0096,f=-8.7!) USER MOD Single : A 94 MET CE :methyl -131:sc= -0.233 (180deg=-0.881) USER MOD Single : A 96 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0424) USER MOD Single : A 97 SER OG : rot 112:sc= 0.513 USER MOD Single : A 99 SER OG : rot 53:sc= -0.125 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 128 GLN : amide:sc= -0.835 K(o=-0.84,f=0) USER MOD Single : A 133 SER OG : rot 180:sc= -0.0592 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= -1.07 USER MOD Single : A 143 MET CE :methyl 180:sc= -0.0946 (180deg=-0.0946) 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 -15:sc= -0.122 USER MOD Single : A 153 ASN : amide:sc= -1.46! K(o=-1.5!,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 39 -9.988 -13.992 2.922 1.00 11.44 N ATOM 51 CA ASP A 39 -9.782 -13.087 1.791 1.00 13.31 C ATOM 52 C ASP A 39 -8.877 -11.907 2.174 1.00 40.33 C ATOM 53 O ASP A 39 -9.337 -10.925 2.763 1.00 32.32 O ATOM 54 CB ASP A 39 -11.120 -12.553 1.267 1.00 74.20 C ATOM 55 CG ASP A 39 -11.996 -13.636 0.670 1.00 50.23 C ATOM 56 OD1 ASP A 39 -11.880 -13.894 -0.547 1.00 15.14 O ATOM 57 OD2 ASP A 39 -12.824 -14.212 1.406 1.00 74.00 O ATOM 0 HA ASP A 39 -9.292 -13.662 1.005 1.00 13.31 H new ATOM 0 HB2 ASP A 39 -11.656 -12.068 2.083 1.00 74.20 H new ATOM 0 HB3 ASP A 39 -10.930 -11.790 0.512 1.00 74.20 H new ATOM 62 N VAL A 40 -7.592 -12.021 1.842 1.00 23.31 N ATOM 63 CA VAL A 40 -6.623 -10.942 2.070 1.00 52.13 C ATOM 64 C VAL A 40 -7.181 -9.588 1.601 1.00 51.35 C ATOM 65 O VAL A 40 -7.171 -8.603 2.340 1.00 61.14 O ATOM 66 CB VAL A 40 -5.294 -11.238 1.325 1.00 55.53 C ATOM 67 CG1 VAL A 40 -4.289 -10.101 1.507 1.00 61.53 C ATOM 68 CG2 VAL A 40 -4.699 -12.568 1.792 1.00 35.31 C ATOM 0 H VAL A 40 -7.192 -12.855 1.411 1.00 23.31 H new ATOM 0 HA VAL A 40 -6.433 -10.890 3.142 1.00 52.13 H new ATOM 0 HB VAL A 40 -5.518 -11.315 0.261 1.00 55.53 H new ATOM 0 HG11 VAL A 40 -3.369 -10.339 0.973 1.00 61.53 H new ATOM 0 HG12 VAL A 40 -4.710 -9.177 1.111 1.00 61.53 H new ATOM 0 HG13 VAL A 40 -4.071 -9.975 2.567 1.00 61.53 H new ATOM 0 HG21 VAL A 40 -3.768 -12.757 1.258 1.00 35.31 H new ATOM 0 HG22 VAL A 40 -4.500 -12.522 2.863 1.00 35.31 H new ATOM 0 HG23 VAL A 40 -5.404 -13.374 1.588 1.00 35.31 H new ATOM 78 N LYS A 41 -7.693 -9.570 0.372 1.00 62.34 N ATOM 79 CA LYS A 41 -8.290 -8.367 -0.220 1.00 51.25 C ATOM 80 C LYS A 41 -9.406 -7.773 0.661 1.00 72.24 C ATOM 81 O LYS A 41 -9.425 -6.570 0.925 1.00 13.53 O ATOM 82 CB LYS A 41 -8.860 -8.707 -1.604 1.00 53.33 C ATOM 83 CG LYS A 41 -9.618 -7.558 -2.264 1.00 40.30 C ATOM 84 CD LYS A 41 -10.313 -8.007 -3.544 1.00 13.51 C ATOM 85 CE LYS A 41 -11.178 -6.904 -4.138 1.00 3.41 C ATOM 86 NZ LYS A 41 -11.954 -7.388 -5.309 1.00 72.24 N ATOM 0 H LYS A 41 -7.708 -10.384 -0.242 1.00 62.34 H new ATOM 0 HA LYS A 41 -7.503 -7.618 -0.304 1.00 51.25 H new ATOM 0 HB2 LYS A 41 -8.042 -9.012 -2.257 1.00 53.33 H new ATOM 0 HB3 LYS A 41 -9.529 -9.563 -1.510 1.00 53.33 H new ATOM 0 HG2 LYS A 41 -10.357 -7.161 -1.568 1.00 40.30 H new ATOM 0 HG3 LYS A 41 -8.926 -6.747 -2.490 1.00 40.30 H new ATOM 0 HD2 LYS A 41 -9.565 -8.314 -4.275 1.00 13.51 H new ATOM 0 HD3 LYS A 41 -10.931 -8.880 -3.334 1.00 13.51 H new ATOM 0 HE2 LYS A 41 -11.862 -6.528 -3.377 1.00 3.41 H new ATOM 0 HE3 LYS A 41 -10.547 -6.068 -4.440 1.00 3.41 H new ATOM 0 HZ1 LYS A 41 -12.532 -6.611 -5.688 1.00 72.24 H new ATOM 0 HZ2 LYS A 41 -11.300 -7.724 -6.044 1.00 72.24 H new ATOM 0 HZ3 LYS A 41 -12.575 -8.169 -5.015 1.00 72.24 H new ATOM 100 N SER A 42 -10.329 -8.621 1.117 1.00 51.15 N ATOM 101 CA SER A 42 -11.510 -8.152 1.866 1.00 12.40 C ATOM 102 C SER A 42 -11.113 -7.410 3.146 1.00 72.54 C ATOM 103 O SER A 42 -11.636 -6.338 3.443 1.00 63.15 O ATOM 104 CB SER A 42 -12.436 -9.319 2.239 1.00 20.24 C ATOM 105 OG SER A 42 -11.948 -10.025 3.372 1.00 62.24 O ATOM 0 H SER A 42 -10.288 -9.632 0.985 1.00 51.15 H new ATOM 0 HA SER A 42 -12.039 -7.465 1.205 1.00 12.40 H new ATOM 0 HB2 SER A 42 -13.436 -8.940 2.448 1.00 20.24 H new ATOM 0 HB3 SER A 42 -12.524 -10.001 1.393 1.00 20.24 H new ATOM 0 HG SER A 42 -11.030 -10.324 3.201 1.00 62.24 H new ATOM 111 N ARG A 43 -10.191 -7.994 3.909 1.00 21.50 N ATOM 112 CA ARG A 43 -9.740 -7.385 5.166 1.00 24.13 C ATOM 113 C ARG A 43 -9.006 -6.059 4.920 1.00 31.10 C ATOM 114 O ARG A 43 -9.145 -5.112 5.695 1.00 22.12 O ATOM 115 CB ARG A 43 -8.853 -8.361 5.947 1.00 12.21 C ATOM 116 CG ARG A 43 -9.571 -9.650 6.344 1.00 70.43 C ATOM 117 CD ARG A 43 -8.829 -10.391 7.451 1.00 11.41 C ATOM 118 NE ARG A 43 -8.735 -9.583 8.669 1.00 22.41 N ATOM 119 CZ ARG A 43 -8.241 -10.006 9.801 1.00 44.34 C ATOM 120 NH1 ARG A 43 -7.774 -11.209 9.914 1.00 22.23 N ATOM 121 NH2 ARG A 43 -8.213 -9.215 10.824 1.00 34.33 N ATOM 0 H ARG A 43 -9.742 -8.882 3.684 1.00 21.50 H new ATOM 0 HA ARG A 43 -10.624 -7.163 5.764 1.00 24.13 H new ATOM 0 HB2 ARG A 43 -7.981 -8.611 5.343 1.00 12.21 H new ATOM 0 HB3 ARG A 43 -8.486 -7.867 6.846 1.00 12.21 H new ATOM 0 HG2 ARG A 43 -10.582 -9.416 6.677 1.00 70.43 H new ATOM 0 HG3 ARG A 43 -9.665 -10.298 5.472 1.00 70.43 H new ATOM 0 HD2 ARG A 43 -9.344 -11.326 7.672 1.00 11.41 H new ATOM 0 HD3 ARG A 43 -7.828 -10.652 7.108 1.00 11.41 H new ATOM 0 HE ARG A 43 -9.079 -8.624 8.630 1.00 22.41 H new ATOM 0 HH11 ARG A 43 -7.789 -11.839 9.112 1.00 22.23 H new ATOM 0 HH12 ARG A 43 -7.391 -11.526 10.805 1.00 22.23 H new ATOM 0 HH21 ARG A 43 -8.576 -8.265 10.744 1.00 34.33 H new ATOM 0 HH22 ARG A 43 -7.828 -9.541 11.710 1.00 34.33 H new ATOM 135 N ILE A 44 -8.234 -5.989 3.837 1.00 21.24 N ATOM 136 CA ILE A 44 -7.584 -4.734 3.437 1.00 10.14 C ATOM 137 C ILE A 44 -8.637 -3.663 3.091 1.00 54.23 C ATOM 138 O ILE A 44 -8.459 -2.480 3.387 1.00 15.32 O ATOM 139 CB ILE A 44 -6.638 -4.952 2.227 1.00 14.12 C ATOM 140 CG1 ILE A 44 -5.568 -6.004 2.569 1.00 4.21 C ATOM 141 CG2 ILE A 44 -5.979 -3.635 1.808 1.00 23.45 C ATOM 142 CD1 ILE A 44 -4.694 -6.393 1.393 1.00 74.21 C ATOM 0 H ILE A 44 -8.042 -6.779 3.221 1.00 21.24 H new ATOM 0 HA ILE A 44 -6.989 -4.388 4.282 1.00 10.14 H new ATOM 0 HB ILE A 44 -7.232 -5.317 1.389 1.00 14.12 H new ATOM 0 HG12 ILE A 44 -4.935 -5.618 3.368 1.00 4.21 H new ATOM 0 HG13 ILE A 44 -6.060 -6.897 2.955 1.00 4.21 H new ATOM 0 HG21 ILE A 44 -5.320 -3.812 0.958 1.00 23.45 H new ATOM 0 HG22 ILE A 44 -6.749 -2.916 1.527 1.00 23.45 H new ATOM 0 HG23 ILE A 44 -5.398 -3.238 2.641 1.00 23.45 H new ATOM 0 HD11 ILE A 44 -3.965 -7.138 1.712 1.00 74.21 H new ATOM 0 HD12 ILE A 44 -5.315 -6.810 0.600 1.00 74.21 H new ATOM 0 HD13 ILE A 44 -4.173 -5.511 1.020 1.00 74.21 H new ATOM 154 N MET A 45 -9.742 -4.092 2.476 1.00 13.15 N ATOM 155 CA MET A 45 -10.864 -3.191 2.172 1.00 4.14 C ATOM 156 C MET A 45 -11.603 -2.765 3.454 1.00 22.14 C ATOM 157 O MET A 45 -12.061 -1.626 3.566 1.00 52.11 O ATOM 158 CB MET A 45 -11.839 -3.863 1.197 1.00 41.44 C ATOM 159 CG MET A 45 -11.241 -4.200 -0.170 1.00 32.52 C ATOM 160 SD MET A 45 -10.858 -2.744 -1.178 1.00 13.40 S ATOM 161 CE MET A 45 -9.216 -2.296 -0.608 1.00 54.14 C ATOM 0 H MET A 45 -9.887 -5.057 2.178 1.00 13.15 H new ATOM 0 HA MET A 45 -10.456 -2.295 1.705 1.00 4.14 H new ATOM 0 HB2 MET A 45 -12.213 -4.780 1.652 1.00 41.44 H new ATOM 0 HB3 MET A 45 -12.697 -3.207 1.052 1.00 41.44 H new ATOM 0 HG2 MET A 45 -10.330 -4.780 -0.025 1.00 32.52 H new ATOM 0 HG3 MET A 45 -11.939 -4.835 -0.715 1.00 32.52 H new ATOM 0 HE1 MET A 45 -9.278 -1.405 0.017 1.00 54.14 H new ATOM 0 HE2 MET A 45 -8.796 -3.117 -0.028 1.00 54.14 H new ATOM 0 HE3 MET A 45 -8.576 -2.093 -1.466 1.00 54.14 H new ATOM 171 N ASP A 46 -11.716 -3.688 4.414 1.00 42.33 N ATOM 172 CA ASP A 46 -12.321 -3.385 5.719 1.00 61.22 C ATOM 173 C ASP A 46 -11.497 -2.319 6.461 1.00 73.30 C ATOM 174 O ASP A 46 -12.045 -1.391 7.062 1.00 23.04 O ATOM 175 CB ASP A 46 -12.426 -4.667 6.563 1.00 43.12 C ATOM 176 CG ASP A 46 -13.054 -4.425 7.928 1.00 64.13 C ATOM 177 OD1 ASP A 46 -14.300 -4.377 8.013 1.00 51.45 O ATOM 178 OD2 ASP A 46 -12.308 -4.283 8.921 1.00 4.42 O ATOM 0 H ASP A 46 -11.397 -4.652 4.314 1.00 42.33 H new ATOM 0 HA ASP A 46 -13.324 -2.990 5.556 1.00 61.22 H new ATOM 0 HB2 ASP A 46 -13.018 -5.405 6.022 1.00 43.12 H new ATOM 0 HB3 ASP A 46 -11.431 -5.091 6.696 1.00 43.12 H new ATOM 183 N GLN A 47 -10.174 -2.462 6.408 1.00 11.45 N ATOM 184 CA GLN A 47 -9.259 -1.465 6.968 1.00 12.53 C ATOM 185 C GLN A 47 -9.393 -0.132 6.220 1.00 23.12 C ATOM 186 O GLN A 47 -9.520 0.931 6.828 1.00 63.14 O ATOM 187 CB GLN A 47 -7.812 -1.973 6.880 1.00 44.12 C ATOM 188 CG GLN A 47 -6.795 -1.071 7.571 1.00 43.31 C ATOM 189 CD GLN A 47 -7.007 -0.992 9.075 1.00 71.32 C ATOM 190 OE1 GLN A 47 -7.489 -1.934 9.699 1.00 4.14 O ATOM 191 NE2 GLN A 47 -6.648 0.128 9.667 1.00 43.50 N ATOM 0 H GLN A 47 -9.708 -3.263 5.981 1.00 11.45 H new ATOM 0 HA GLN A 47 -9.518 -1.304 8.014 1.00 12.53 H new ATOM 0 HB2 GLN A 47 -7.760 -2.968 7.322 1.00 44.12 H new ATOM 0 HB3 GLN A 47 -7.537 -2.076 5.830 1.00 44.12 H new ATOM 0 HG2 GLN A 47 -5.790 -1.442 7.369 1.00 43.31 H new ATOM 0 HG3 GLN A 47 -6.856 -0.069 7.146 1.00 43.31 H new ATOM 0 HE21 GLN A 47 -6.251 0.890 9.118 1.00 43.50 H new ATOM 0 HE22 GLN A 47 -6.767 0.233 10.675 1.00 43.50 H new ATOM 200 N TYR A 48 -9.373 -0.209 4.888 1.00 4.11 N ATOM 201 CA TYR A 48 -9.564 0.964 4.027 1.00 5.23 C ATOM 202 C TYR A 48 -10.859 1.716 4.378 1.00 51.01 C ATOM 203 O TYR A 48 -10.887 2.947 4.384 1.00 62.04 O ATOM 204 CB TYR A 48 -9.581 0.520 2.558 1.00 73.10 C ATOM 205 CG TYR A 48 -9.964 1.610 1.570 1.00 73.41 C ATOM 206 CD1 TYR A 48 -9.211 2.775 1.452 1.00 34.04 C ATOM 207 CD2 TYR A 48 -11.080 1.467 0.751 1.00 52.35 C ATOM 208 CE1 TYR A 48 -9.562 3.761 0.549 1.00 55.22 C ATOM 209 CE2 TYR A 48 -11.433 2.448 -0.152 1.00 42.11 C ATOM 210 CZ TYR A 48 -10.672 3.592 -0.251 1.00 12.25 C ATOM 211 OH TYR A 48 -11.025 4.570 -1.153 1.00 72.45 O ATOM 0 H TYR A 48 -9.225 -1.079 4.377 1.00 4.11 H new ATOM 0 HA TYR A 48 -8.735 1.652 4.190 1.00 5.23 H new ATOM 0 HB2 TYR A 48 -8.593 0.141 2.296 1.00 73.10 H new ATOM 0 HB3 TYR A 48 -10.279 -0.310 2.451 1.00 73.10 H new ATOM 0 HD1 TYR A 48 -8.340 2.910 2.075 1.00 34.04 H new ATOM 0 HD2 TYR A 48 -11.680 0.572 0.824 1.00 52.35 H new ATOM 0 HE1 TYR A 48 -8.969 4.660 0.471 1.00 55.22 H new ATOM 0 HE2 TYR A 48 -12.303 2.320 -0.779 1.00 42.11 H new ATOM 0 HH TYR A 48 -11.830 4.293 -1.638 1.00 72.45 H new ATOM 221 N ALA A 49 -11.924 0.970 4.680 1.00 12.34 N ATOM 222 CA ALA A 49 -13.208 1.563 5.085 1.00 4.22 C ATOM 223 C ALA A 49 -13.047 2.512 6.284 1.00 4.43 C ATOM 224 O ALA A 49 -13.732 3.529 6.384 1.00 43.43 O ATOM 225 CB ALA A 49 -14.216 0.465 5.415 1.00 14.22 C ATOM 0 H ALA A 49 -11.926 -0.050 4.653 1.00 12.34 H new ATOM 0 HA ALA A 49 -13.578 2.152 4.245 1.00 4.22 H new ATOM 0 HB1 ALA A 49 -15.162 0.917 5.713 1.00 14.22 H new ATOM 0 HB2 ALA A 49 -14.374 -0.160 4.536 1.00 14.22 H new ATOM 0 HB3 ALA A 49 -13.833 -0.147 6.232 1.00 14.22 H new ATOM 231 N ASP A 50 -12.125 2.177 7.180 1.00 10.31 N ATOM 232 CA ASP A 50 -11.873 2.979 8.381 1.00 33.41 C ATOM 233 C ASP A 50 -11.051 4.241 8.054 1.00 73.10 C ATOM 234 O ASP A 50 -11.115 5.245 8.767 1.00 33.41 O ATOM 235 CB ASP A 50 -11.140 2.116 9.418 1.00 65.33 C ATOM 236 CG ASP A 50 -11.057 2.772 10.786 1.00 50.32 C ATOM 237 OD1 ASP A 50 -12.114 3.168 11.325 1.00 54.13 O ATOM 238 OD2 ASP A 50 -9.938 2.900 11.330 1.00 11.32 O ATOM 0 H ASP A 50 -11.534 1.350 7.100 1.00 10.31 H new ATOM 0 HA ASP A 50 -12.829 3.310 8.787 1.00 33.41 H new ATOM 0 HB2 ASP A 50 -11.651 1.158 9.511 1.00 65.33 H new ATOM 0 HB3 ASP A 50 -10.132 1.906 9.060 1.00 65.33 H new ATOM 243 N TRP A 51 -10.291 4.183 6.961 1.00 24.42 N ATOM 244 CA TRP A 51 -9.398 5.285 6.567 1.00 12.05 C ATOM 245 C TRP A 51 -9.815 5.945 5.239 1.00 75.35 C ATOM 246 O TRP A 51 -9.022 6.653 4.618 1.00 30.41 O ATOM 247 CB TRP A 51 -7.955 4.768 6.465 1.00 44.45 C ATOM 248 CG TRP A 51 -7.413 4.266 7.773 1.00 74.14 C ATOM 249 CD1 TRP A 51 -7.689 3.070 8.368 1.00 41.31 C ATOM 250 CD2 TRP A 51 -6.500 4.943 8.645 1.00 65.24 C ATOM 251 NE1 TRP A 51 -7.019 2.971 9.561 1.00 35.14 N ATOM 252 CE2 TRP A 51 -6.280 4.105 9.753 1.00 4.11 C ATOM 253 CE3 TRP A 51 -5.855 6.181 8.601 1.00 60.50 C ATOM 254 CZ2 TRP A 51 -5.438 4.459 10.801 1.00 14.22 C ATOM 255 CZ3 TRP A 51 -5.019 6.534 9.641 1.00 5.40 C ATOM 256 CH2 TRP A 51 -4.815 5.675 10.730 1.00 60.35 C ATOM 0 H TRP A 51 -10.272 3.384 6.327 1.00 24.42 H new ATOM 0 HA TRP A 51 -9.470 6.052 7.338 1.00 12.05 H new ATOM 0 HB2 TRP A 51 -7.915 3.964 5.730 1.00 44.45 H new ATOM 0 HB3 TRP A 51 -7.314 5.569 6.097 1.00 44.45 H new ATOM 0 HD1 TRP A 51 -8.340 2.311 7.959 1.00 41.31 H new ATOM 0 HE1 TRP A 51 -7.065 2.179 10.202 1.00 35.14 H new ATOM 0 HE3 TRP A 51 -6.008 6.851 7.768 1.00 60.50 H new ATOM 0 HZ2 TRP A 51 -5.281 3.798 11.641 1.00 14.22 H new ATOM 0 HZ3 TRP A 51 -4.513 7.488 9.615 1.00 5.40 H new ATOM 0 HH2 TRP A 51 -4.154 5.979 11.528 1.00 60.35 H new ATOM 267 N LYS A 52 -11.064 5.738 4.815 1.00 21.02 N ATOM 268 CA LYS A 52 -11.557 6.334 3.560 1.00 44.05 C ATOM 269 C LYS A 52 -11.472 7.872 3.572 1.00 23.03 C ATOM 270 O LYS A 52 -12.220 8.548 4.287 1.00 32.13 O ATOM 271 CB LYS A 52 -13.008 5.908 3.273 1.00 42.24 C ATOM 272 CG LYS A 52 -13.165 4.447 2.872 1.00 4.12 C ATOM 273 CD LYS A 52 -14.576 4.123 2.363 1.00 52.52 C ATOM 274 CE LYS A 52 -15.636 4.130 3.472 1.00 24.54 C ATOM 275 NZ LYS A 52 -15.902 5.491 4.015 1.00 5.42 N ATOM 0 H LYS A 52 -11.750 5.170 5.312 1.00 21.02 H new ATOM 0 HA LYS A 52 -10.907 5.961 2.769 1.00 44.05 H new ATOM 0 HB2 LYS A 52 -13.612 6.096 4.161 1.00 42.24 H new ATOM 0 HB3 LYS A 52 -13.408 6.536 2.477 1.00 42.24 H new ATOM 0 HG2 LYS A 52 -12.439 4.207 2.095 1.00 4.12 H new ATOM 0 HG3 LYS A 52 -12.937 3.812 3.728 1.00 4.12 H new ATOM 0 HD2 LYS A 52 -14.855 4.848 1.599 1.00 52.52 H new ATOM 0 HD3 LYS A 52 -14.567 3.144 1.885 1.00 52.52 H new ATOM 0 HE2 LYS A 52 -16.564 3.713 3.082 1.00 24.54 H new ATOM 0 HE3 LYS A 52 -15.310 3.479 4.283 1.00 24.54 H new ATOM 0 HZ1 LYS A 52 -16.901 5.564 4.294 1.00 5.42 H new ATOM 0 HZ2 LYS A 52 -15.298 5.658 4.845 1.00 5.42 H new ATOM 0 HZ3 LYS A 52 -15.693 6.203 3.286 1.00 5.42 H new ATOM 289 N GLY A 53 -10.547 8.416 2.780 1.00 4.14 N ATOM 290 CA GLY A 53 -10.468 9.862 2.584 1.00 2.02 C ATOM 291 C GLY A 53 -9.548 10.592 3.562 1.00 25.24 C ATOM 292 O GLY A 53 -9.471 11.821 3.533 1.00 61.03 O ATOM 0 H GLY A 53 -9.847 7.880 2.267 1.00 4.14 H new ATOM 0 HA2 GLY A 53 -10.125 10.059 1.568 1.00 2.02 H new ATOM 0 HA3 GLY A 53 -11.471 10.281 2.668 1.00 2.02 H new ATOM 296 N VAL A 54 -8.844 9.855 4.424 1.00 72.13 N ATOM 297 CA VAL A 54 -7.902 10.477 5.366 1.00 4.42 C ATOM 298 C VAL A 54 -6.781 11.216 4.611 1.00 62.20 C ATOM 299 O VAL A 54 -6.138 10.647 3.726 1.00 23.20 O ATOM 300 CB VAL A 54 -7.284 9.438 6.337 1.00 72.33 C ATOM 301 CG1 VAL A 54 -6.257 10.096 7.260 1.00 12.33 C ATOM 302 CG2 VAL A 54 -8.381 8.752 7.152 1.00 5.12 C ATOM 0 H VAL A 54 -8.904 8.839 4.492 1.00 72.13 H new ATOM 0 HA VAL A 54 -8.471 11.195 5.957 1.00 4.42 H new ATOM 0 HB VAL A 54 -6.768 8.682 5.745 1.00 72.33 H new ATOM 0 HG11 VAL A 54 -5.838 9.346 7.931 1.00 12.33 H new ATOM 0 HG12 VAL A 54 -5.458 10.534 6.662 1.00 12.33 H new ATOM 0 HG13 VAL A 54 -6.742 10.877 7.846 1.00 12.33 H new ATOM 0 HG21 VAL A 54 -7.931 8.026 7.829 1.00 5.12 H new ATOM 0 HG22 VAL A 54 -8.925 9.499 7.731 1.00 5.12 H new ATOM 0 HG23 VAL A 54 -9.070 8.242 6.478 1.00 5.12 H new ATOM 312 N ARG A 55 -6.568 12.487 4.953 1.00 10.55 N ATOM 313 CA ARG A 55 -5.574 13.316 4.257 1.00 21.21 C ATOM 314 C ARG A 55 -4.121 12.907 4.574 1.00 24.24 C ATOM 315 O ARG A 55 -3.831 12.299 5.610 1.00 42.02 O ATOM 316 CB ARG A 55 -5.809 14.817 4.537 1.00 13.41 C ATOM 317 CG ARG A 55 -6.108 15.187 5.996 1.00 72.12 C ATOM 318 CD ARG A 55 -4.925 14.962 6.931 1.00 35.22 C ATOM 319 NE ARG A 55 -3.735 15.701 6.516 1.00 11.32 N ATOM 320 CZ ARG A 55 -2.818 16.133 7.335 1.00 41.44 C ATOM 321 NH1 ARG A 55 -2.959 16.004 8.620 1.00 62.44 N ATOM 322 NH2 ARG A 55 -1.762 16.711 6.866 1.00 53.24 N ATOM 0 H ARG A 55 -7.066 12.966 5.703 1.00 10.55 H new ATOM 0 HA ARG A 55 -5.715 13.140 3.191 1.00 21.21 H new ATOM 0 HB2 ARG A 55 -4.926 15.369 4.216 1.00 13.41 H new ATOM 0 HB3 ARG A 55 -6.640 15.157 3.919 1.00 13.41 H new ATOM 0 HG2 ARG A 55 -6.406 16.234 6.044 1.00 72.12 H new ATOM 0 HG3 ARG A 55 -6.956 14.598 6.346 1.00 72.12 H new ATOM 0 HD2 ARG A 55 -5.202 15.264 7.941 1.00 35.22 H new ATOM 0 HD3 ARG A 55 -4.693 13.898 6.968 1.00 35.22 H new ATOM 0 HE ARG A 55 -3.614 15.891 5.521 1.00 11.32 H new ATOM 0 HH11 ARG A 55 -3.795 15.560 8.999 1.00 62.44 H new ATOM 0 HH12 ARG A 55 -2.233 16.347 9.250 1.00 62.44 H new ATOM 0 HH21 ARG A 55 -1.649 16.827 5.859 1.00 53.24 H new ATOM 0 HH22 ARG A 55 -1.041 17.051 7.503 1.00 53.24 H new ATOM 336 N TYR A 56 -3.217 13.269 3.668 1.00 2.32 N ATOM 337 CA TYR A 56 -1.808 12.864 3.741 1.00 61.35 C ATOM 338 C TYR A 56 -1.029 13.690 4.783 1.00 1.01 C ATOM 339 O TYR A 56 -1.033 14.920 4.747 1.00 52.42 O ATOM 340 CB TYR A 56 -1.180 13.025 2.353 1.00 25.14 C ATOM 341 CG TYR A 56 0.184 12.383 2.186 1.00 33.32 C ATOM 342 CD1 TYR A 56 0.299 11.041 1.847 1.00 11.30 C ATOM 343 CD2 TYR A 56 1.352 13.122 2.344 1.00 74.33 C ATOM 344 CE1 TYR A 56 1.534 10.454 1.669 1.00 1.24 C ATOM 345 CE2 TYR A 56 2.591 12.537 2.171 1.00 64.13 C ATOM 346 CZ TYR A 56 2.675 11.204 1.832 1.00 43.25 C ATOM 347 OH TYR A 56 3.906 10.619 1.656 1.00 71.11 O ATOM 0 H TYR A 56 -3.436 13.852 2.860 1.00 2.32 H new ATOM 0 HA TYR A 56 -1.757 11.823 4.059 1.00 61.35 H new ATOM 0 HB2 TYR A 56 -1.858 12.599 1.613 1.00 25.14 H new ATOM 0 HB3 TYR A 56 -1.093 14.089 2.132 1.00 25.14 H new ATOM 0 HD1 TYR A 56 -0.594 10.447 1.721 1.00 11.30 H new ATOM 0 HD2 TYR A 56 1.289 14.168 2.606 1.00 74.33 H new ATOM 0 HE1 TYR A 56 1.605 9.410 1.403 1.00 1.24 H new ATOM 0 HE2 TYR A 56 3.490 13.121 2.301 1.00 64.13 H new ATOM 0 HH TYR A 56 4.544 11.290 1.334 1.00 71.11 H new ATOM 357 N ARG A 57 -0.366 13.001 5.713 1.00 24.55 N ATOM 358 CA ARG A 57 0.397 13.661 6.786 1.00 23.24 C ATOM 359 C ARG A 57 1.746 12.967 7.033 1.00 44.12 C ATOM 360 O ARG A 57 1.790 11.853 7.552 1.00 4.34 O ATOM 361 CB ARG A 57 -0.433 13.657 8.074 1.00 73.44 C ATOM 362 CG ARG A 57 0.245 14.311 9.275 1.00 32.24 C ATOM 363 CD ARG A 57 -0.609 14.166 10.531 1.00 13.53 C ATOM 364 NE ARG A 57 0.023 14.750 11.710 1.00 60.00 N ATOM 365 CZ ARG A 57 -0.038 14.225 12.905 1.00 33.13 C ATOM 366 NH1 ARG A 57 -0.642 13.094 13.093 1.00 74.15 N ATOM 367 NH2 ARG A 57 0.505 14.831 13.907 1.00 31.31 N ATOM 0 H ARG A 57 -0.339 11.982 5.749 1.00 24.55 H new ATOM 0 HA ARG A 57 0.604 14.685 6.476 1.00 23.24 H new ATOM 0 HB2 ARG A 57 -1.376 14.169 7.883 1.00 73.44 H new ATOM 0 HB3 ARG A 57 -0.677 12.626 8.329 1.00 73.44 H new ATOM 0 HG2 ARG A 57 1.221 13.854 9.440 1.00 32.24 H new ATOM 0 HG3 ARG A 57 0.418 15.367 9.069 1.00 32.24 H new ATOM 0 HD2 ARG A 57 -1.575 14.644 10.367 1.00 13.53 H new ATOM 0 HD3 ARG A 57 -0.804 13.109 10.714 1.00 13.53 H new ATOM 0 HE ARG A 57 0.543 15.620 11.594 1.00 60.00 H new ATOM 0 HH11 ARG A 57 -1.073 12.609 12.306 1.00 74.15 H new ATOM 0 HH12 ARG A 57 -0.687 12.689 14.028 1.00 74.15 H new ATOM 0 HH21 ARG A 57 0.983 15.721 13.767 1.00 31.31 H new ATOM 0 HH22 ARG A 57 0.456 14.420 14.839 1.00 31.31 H new ATOM 381 N LEU A 58 2.840 13.635 6.676 1.00 54.31 N ATOM 382 CA LEU A 58 4.188 13.079 6.869 1.00 24.32 C ATOM 383 C LEU A 58 4.559 12.979 8.357 1.00 14.10 C ATOM 384 O LEU A 58 4.561 13.978 9.079 1.00 15.01 O ATOM 385 CB LEU A 58 5.228 13.938 6.132 1.00 54.41 C ATOM 386 CG LEU A 58 5.182 13.858 4.597 1.00 74.12 C ATOM 387 CD1 LEU A 58 6.143 14.866 3.975 1.00 4.12 C ATOM 388 CD2 LEU A 58 5.510 12.441 4.125 1.00 21.41 C ATOM 0 H LEU A 58 2.826 14.562 6.251 1.00 54.31 H new ATOM 0 HA LEU A 58 4.186 12.071 6.455 1.00 24.32 H new ATOM 0 HB2 LEU A 58 5.091 14.978 6.429 1.00 54.41 H new ATOM 0 HB3 LEU A 58 6.222 13.640 6.465 1.00 54.41 H new ATOM 0 HG LEU A 58 4.172 14.105 4.271 1.00 74.12 H new ATOM 0 HD11 LEU A 58 6.094 14.792 2.889 1.00 4.12 H new ATOM 0 HD12 LEU A 58 5.863 15.873 4.283 1.00 4.12 H new ATOM 0 HD13 LEU A 58 7.159 14.654 4.308 1.00 4.12 H new ATOM 0 HD21 LEU A 58 5.473 12.402 3.036 1.00 21.41 H new ATOM 0 HD22 LEU A 58 6.509 12.167 4.464 1.00 21.41 H new ATOM 0 HD23 LEU A 58 4.782 11.742 4.538 1.00 21.41 H new ATOM 400 N GLY A 59 4.860 11.765 8.811 1.00 23.41 N ATOM 401 CA GLY A 59 5.341 11.568 10.175 1.00 42.42 C ATOM 402 C GLY A 59 4.228 11.410 11.206 1.00 13.30 C ATOM 403 O GLY A 59 4.478 11.472 12.413 1.00 5.41 O ATOM 0 H GLY A 59 4.780 10.910 8.260 1.00 23.41 H new ATOM 0 HA2 GLY A 59 5.976 10.682 10.202 1.00 42.42 H new ATOM 0 HA3 GLY A 59 5.965 12.416 10.456 1.00 42.42 H new ATOM 407 N GLY A 60 3.003 11.206 10.733 1.00 20.40 N ATOM 408 CA GLY A 60 1.869 11.004 11.627 1.00 44.34 C ATOM 409 C GLY A 60 0.936 9.903 11.140 1.00 63.14 C ATOM 410 O GLY A 60 0.663 9.802 9.946 1.00 22.43 O ATOM 0 H GLY A 60 2.771 11.176 9.740 1.00 20.40 H new ATOM 0 HA2 GLY A 60 2.235 10.753 12.623 1.00 44.34 H new ATOM 0 HA3 GLY A 60 1.311 11.936 11.718 1.00 44.34 H new ATOM 414 N SER A 61 0.468 9.060 12.055 1.00 24.22 N ATOM 415 CA SER A 61 -0.451 7.969 11.701 1.00 51.50 C ATOM 416 C SER A 61 -1.728 8.011 12.549 1.00 53.24 C ATOM 417 O SER A 61 -1.743 7.547 13.689 1.00 33.32 O ATOM 418 CB SER A 61 0.241 6.608 11.874 1.00 32.14 C ATOM 419 OG SER A 61 1.370 6.481 11.024 1.00 12.25 O ATOM 0 H SER A 61 0.705 9.106 13.046 1.00 24.22 H new ATOM 0 HA SER A 61 -0.731 8.103 10.656 1.00 51.50 H new ATOM 0 HB2 SER A 61 0.552 6.487 12.912 1.00 32.14 H new ATOM 0 HB3 SER A 61 -0.468 5.809 11.658 1.00 32.14 H new ATOM 0 HG SER A 61 1.786 5.605 11.162 1.00 12.25 H new ATOM 425 N THR A 62 -2.798 8.560 11.976 1.00 40.34 N ATOM 426 CA THR A 62 -4.097 8.676 12.667 1.00 61.00 C ATOM 427 C THR A 62 -5.161 9.286 11.745 1.00 55.30 C ATOM 428 O THR A 62 -4.873 9.654 10.610 1.00 24.32 O ATOM 429 CB THR A 62 -3.993 9.539 13.953 1.00 4.13 C ATOM 430 OG1 THR A 62 -5.295 9.746 14.526 1.00 75.24 O ATOM 431 CG2 THR A 62 -3.343 10.890 13.662 1.00 71.53 C ATOM 0 H THR A 62 -2.798 8.936 11.028 1.00 40.34 H new ATOM 0 HA THR A 62 -4.390 7.664 12.945 1.00 61.00 H new ATOM 0 HB THR A 62 -3.367 8.998 14.663 1.00 4.13 H new ATOM 0 HG1 THR A 62 -5.213 10.290 15.337 1.00 75.24 H new ATOM 0 HG21 THR A 62 -3.284 11.471 14.582 1.00 71.53 H new ATOM 0 HG22 THR A 62 -2.339 10.733 13.267 1.00 71.53 H new ATOM 0 HG23 THR A 62 -3.941 11.431 12.929 1.00 71.53 H new ATOM 439 N LYS A 63 -6.391 9.399 12.239 1.00 62.21 N ATOM 440 CA LYS A 63 -7.483 10.001 11.462 1.00 23.03 C ATOM 441 C LYS A 63 -7.284 11.520 11.323 1.00 12.11 C ATOM 442 O LYS A 63 -7.962 12.180 10.537 1.00 13.43 O ATOM 443 CB LYS A 63 -8.847 9.672 12.092 1.00 1.33 C ATOM 444 CG LYS A 63 -9.309 8.229 11.855 1.00 0.50 C ATOM 445 CD LYS A 63 -8.351 7.200 12.459 1.00 31.12 C ATOM 446 CE LYS A 63 -8.715 5.772 12.063 1.00 52.13 C ATOM 447 NZ LYS A 63 -10.068 5.384 12.537 1.00 31.10 N ATOM 0 H LYS A 63 -6.661 9.084 13.171 1.00 62.21 H new ATOM 0 HA LYS A 63 -7.466 9.571 10.460 1.00 23.03 H new ATOM 0 HB2 LYS A 63 -8.794 9.855 13.165 1.00 1.33 H new ATOM 0 HB3 LYS A 63 -9.596 10.354 11.689 1.00 1.33 H new ATOM 0 HG2 LYS A 63 -10.301 8.093 12.285 1.00 0.50 H new ATOM 0 HG3 LYS A 63 -9.399 8.051 10.783 1.00 0.50 H new ATOM 0 HD2 LYS A 63 -7.334 7.418 12.133 1.00 31.12 H new ATOM 0 HD3 LYS A 63 -8.363 7.288 13.545 1.00 31.12 H new ATOM 0 HE2 LYS A 63 -8.671 5.676 10.978 1.00 52.13 H new ATOM 0 HE3 LYS A 63 -7.977 5.084 12.475 1.00 52.13 H new ATOM 0 HZ1 LYS A 63 -10.163 4.349 12.507 1.00 31.10 H new ATOM 0 HZ2 LYS A 63 -10.202 5.716 13.513 1.00 31.10 H new ATOM 0 HZ3 LYS A 63 -10.788 5.815 11.923 1.00 31.10 H new ATOM 461 N LYS A 64 -6.342 12.063 12.093 1.00 13.33 N ATOM 462 CA LYS A 64 -5.897 13.452 11.922 1.00 65.34 C ATOM 463 C LYS A 64 -4.999 13.587 10.677 1.00 74.01 C ATOM 464 O LYS A 64 -4.682 14.693 10.235 1.00 1.44 O ATOM 465 CB LYS A 64 -5.125 13.907 13.169 1.00 74.20 C ATOM 466 CG LYS A 64 -5.937 13.855 14.461 1.00 31.21 C ATOM 467 CD LYS A 64 -6.992 14.956 14.512 1.00 53.24 C ATOM 468 CE LYS A 64 -6.357 16.336 14.653 1.00 73.11 C ATOM 469 NZ LYS A 64 -7.376 17.419 14.636 1.00 34.20 N ATOM 0 H LYS A 64 -5.869 11.563 12.845 1.00 13.33 H new ATOM 0 HA LYS A 64 -6.775 14.083 11.787 1.00 65.34 H new ATOM 0 HB2 LYS A 64 -4.240 13.281 13.284 1.00 74.20 H new ATOM 0 HB3 LYS A 64 -4.775 14.928 13.014 1.00 74.20 H new ATOM 0 HG2 LYS A 64 -6.422 12.883 14.547 1.00 31.21 H new ATOM 0 HG3 LYS A 64 -5.267 13.953 15.315 1.00 31.21 H new ATOM 0 HD2 LYS A 64 -7.596 14.924 13.605 1.00 53.24 H new ATOM 0 HD3 LYS A 64 -7.665 14.777 15.350 1.00 53.24 H new ATOM 0 HE2 LYS A 64 -5.793 16.383 15.585 1.00 73.11 H new ATOM 0 HE3 LYS A 64 -5.646 16.493 13.842 1.00 73.11 H new ATOM 0 HZ1 LYS A 64 -6.905 18.341 14.734 1.00 34.20 H new ATOM 0 HZ2 LYS A 64 -7.898 17.391 13.737 1.00 34.20 H new ATOM 0 HZ3 LYS A 64 -8.040 17.284 15.425 1.00 34.20 H new ATOM 483 N GLY A 65 -4.581 12.447 10.129 1.00 43.30 N ATOM 484 CA GLY A 65 -3.725 12.432 8.949 1.00 11.42 C ATOM 485 C GLY A 65 -2.724 11.284 8.962 1.00 4.32 C ATOM 486 O GLY A 65 -2.260 10.869 10.031 1.00 64.13 O ATOM 0 H GLY A 65 -4.823 11.522 10.485 1.00 43.30 H new ATOM 0 HA2 GLY A 65 -4.346 12.357 8.056 1.00 11.42 H new ATOM 0 HA3 GLY A 65 -3.186 13.377 8.884 1.00 11.42 H new ATOM 490 N ILE A 66 -2.379 10.772 7.780 1.00 71.54 N ATOM 491 CA ILE A 66 -1.419 9.668 7.669 1.00 24.54 C ATOM 492 C ILE A 66 -0.726 9.661 6.294 1.00 42.14 C ATOM 493 O ILE A 66 -1.326 10.033 5.285 1.00 24.24 O ATOM 494 CB ILE A 66 -2.115 8.303 7.924 1.00 51.01 C ATOM 495 CG1 ILE A 66 -1.078 7.175 8.063 1.00 3.04 C ATOM 496 CG2 ILE A 66 -3.117 7.984 6.811 1.00 54.21 C ATOM 497 CD1 ILE A 66 -1.672 5.865 8.540 1.00 50.34 C ATOM 0 H ILE A 66 -2.747 11.101 6.888 1.00 71.54 H new ATOM 0 HA ILE A 66 -0.656 9.821 8.433 1.00 24.54 H new ATOM 0 HB ILE A 66 -2.664 8.377 8.863 1.00 51.01 H new ATOM 0 HG12 ILE A 66 -0.594 7.016 7.099 1.00 3.04 H new ATOM 0 HG13 ILE A 66 -0.302 7.489 8.761 1.00 3.04 H new ATOM 0 HG21 ILE A 66 -3.591 7.023 7.013 1.00 54.21 H new ATOM 0 HG22 ILE A 66 -3.878 8.763 6.772 1.00 54.21 H new ATOM 0 HG23 ILE A 66 -2.596 7.938 5.855 1.00 54.21 H new ATOM 0 HD11 ILE A 66 -0.885 5.115 8.615 1.00 50.34 H new ATOM 0 HD12 ILE A 66 -2.131 6.009 9.518 1.00 50.34 H new ATOM 0 HD13 ILE A 66 -2.428 5.528 7.830 1.00 50.34 H new ATOM 509 N ASP A 67 0.550 9.280 6.264 1.00 54.23 N ATOM 510 CA ASP A 67 1.308 9.224 5.008 1.00 54.00 C ATOM 511 C ASP A 67 1.328 7.806 4.397 1.00 54.15 C ATOM 512 O ASP A 67 0.765 6.860 4.957 1.00 3.14 O ATOM 513 CB ASP A 67 2.735 9.747 5.223 1.00 33.01 C ATOM 514 CG ASP A 67 3.488 9.002 6.309 1.00 32.34 C ATOM 515 OD1 ASP A 67 4.162 7.995 5.995 1.00 13.04 O ATOM 516 OD2 ASP A 67 3.428 9.429 7.480 1.00 23.52 O ATOM 0 H ASP A 67 1.082 9.006 7.090 1.00 54.23 H new ATOM 0 HA ASP A 67 0.799 9.868 4.291 1.00 54.00 H new ATOM 0 HB2 ASP A 67 3.288 9.669 4.287 1.00 33.01 H new ATOM 0 HB3 ASP A 67 2.692 10.805 5.480 1.00 33.01 H new ATOM 521 N CYS A 68 1.997 7.671 3.250 1.00 55.01 N ATOM 522 CA CYS A 68 2.019 6.413 2.481 1.00 15.44 C ATOM 523 C CYS A 68 2.580 5.238 3.296 1.00 4.41 C ATOM 524 O CYS A 68 1.883 4.246 3.540 1.00 71.12 O ATOM 525 CB CYS A 68 2.841 6.597 1.197 1.00 12.03 C ATOM 526 SG CYS A 68 3.159 5.070 0.280 1.00 3.33 S ATOM 0 H CYS A 68 2.538 8.424 2.825 1.00 55.01 H new ATOM 0 HA CYS A 68 0.987 6.170 2.229 1.00 15.44 H new ATOM 0 HB2 CYS A 68 2.318 7.295 0.544 1.00 12.03 H new ATOM 0 HB3 CYS A 68 3.796 7.056 1.455 1.00 12.03 H new ATOM 0 HG CYS A 68 2.082 4.342 0.263 1.00 3.33 H new ATOM 532 N SER A 69 3.837 5.354 3.722 1.00 72.22 N ATOM 533 CA SER A 69 4.499 4.300 4.504 1.00 33.33 C ATOM 534 C SER A 69 3.742 4.006 5.809 1.00 63.22 C ATOM 535 O SER A 69 3.661 2.857 6.251 1.00 15.31 O ATOM 536 CB SER A 69 5.948 4.701 4.829 1.00 2.51 C ATOM 537 OG SER A 69 6.650 5.108 3.663 1.00 61.32 O ATOM 0 H SER A 69 4.423 6.169 3.540 1.00 72.22 H new ATOM 0 HA SER A 69 4.500 3.395 3.896 1.00 33.33 H new ATOM 0 HB2 SER A 69 5.947 5.513 5.556 1.00 2.51 H new ATOM 0 HB3 SER A 69 6.465 3.860 5.291 1.00 2.51 H new ATOM 0 HG SER A 69 7.478 5.564 3.922 1.00 61.32 H new ATOM 543 N GLY A 70 3.193 5.054 6.423 1.00 13.32 N ATOM 544 CA GLY A 70 2.413 4.887 7.644 1.00 74.55 C ATOM 545 C GLY A 70 1.118 4.098 7.430 1.00 30.24 C ATOM 546 O GLY A 70 0.728 3.285 8.275 1.00 51.44 O ATOM 0 H GLY A 70 3.274 6.017 6.097 1.00 13.32 H new ATOM 0 HA2 GLY A 70 3.023 4.377 8.390 1.00 74.55 H new ATOM 0 HA3 GLY A 70 2.170 5.869 8.049 1.00 74.55 H new ATOM 550 N PHE A 71 0.450 4.338 6.299 1.00 53.30 N ATOM 551 CA PHE A 71 -0.815 3.662 5.985 1.00 25.05 C ATOM 552 C PHE A 71 -0.628 2.147 5.815 1.00 51.14 C ATOM 553 O PHE A 71 -1.303 1.352 6.475 1.00 63.22 O ATOM 554 CB PHE A 71 -1.454 4.259 4.722 1.00 43.02 C ATOM 555 CG PHE A 71 -2.730 3.563 4.310 1.00 42.52 C ATOM 556 CD1 PHE A 71 -3.881 3.680 5.079 1.00 73.42 C ATOM 557 CD2 PHE A 71 -2.773 2.780 3.163 1.00 71.12 C ATOM 558 CE1 PHE A 71 -5.045 3.032 4.714 1.00 34.11 C ATOM 559 CE2 PHE A 71 -3.935 2.129 2.796 1.00 41.33 C ATOM 560 CZ PHE A 71 -5.073 2.254 3.570 1.00 62.31 C ATOM 0 H PHE A 71 0.763 4.995 5.584 1.00 53.30 H new ATOM 0 HA PHE A 71 -1.483 3.824 6.831 1.00 25.05 H new ATOM 0 HB2 PHE A 71 -1.664 5.315 4.894 1.00 43.02 H new ATOM 0 HB3 PHE A 71 -0.738 4.206 3.902 1.00 43.02 H new ATOM 0 HD1 PHE A 71 -3.866 4.285 5.973 1.00 73.42 H new ATOM 0 HD2 PHE A 71 -1.888 2.679 2.552 1.00 71.12 H new ATOM 0 HE1 PHE A 71 -5.933 3.132 5.321 1.00 34.11 H new ATOM 0 HE2 PHE A 71 -3.954 1.522 1.903 1.00 41.33 H new ATOM 0 HZ PHE A 71 -5.982 1.746 3.283 1.00 62.31 H new ATOM 570 N VAL A 72 0.284 1.751 4.928 1.00 54.44 N ATOM 571 CA VAL A 72 0.549 0.329 4.684 1.00 71.35 C ATOM 572 C VAL A 72 0.950 -0.394 5.983 1.00 13.25 C ATOM 573 O VAL A 72 0.485 -1.502 6.262 1.00 24.25 O ATOM 574 CB VAL A 72 1.646 0.133 3.601 1.00 13.30 C ATOM 575 CG1 VAL A 72 2.957 0.801 4.007 1.00 10.02 C ATOM 576 CG2 VAL A 72 1.861 -1.349 3.309 1.00 41.42 C ATOM 0 H VAL A 72 0.850 2.389 4.368 1.00 54.44 H new ATOM 0 HA VAL A 72 -0.377 -0.112 4.315 1.00 71.35 H new ATOM 0 HB VAL A 72 1.298 0.615 2.688 1.00 13.30 H new ATOM 0 HG11 VAL A 72 3.702 0.644 3.227 1.00 10.02 H new ATOM 0 HG12 VAL A 72 2.794 1.870 4.143 1.00 10.02 H new ATOM 0 HG13 VAL A 72 3.313 0.366 4.941 1.00 10.02 H new ATOM 0 HG21 VAL A 72 2.633 -1.462 2.548 1.00 41.42 H new ATOM 0 HG22 VAL A 72 2.173 -1.858 4.221 1.00 41.42 H new ATOM 0 HG23 VAL A 72 0.930 -1.788 2.949 1.00 41.42 H new ATOM 586 N GLN A 73 1.790 0.266 6.784 1.00 54.04 N ATOM 587 CA GLN A 73 2.175 -0.237 8.106 1.00 4.54 C ATOM 588 C GLN A 73 0.942 -0.616 8.940 1.00 65.31 C ATOM 589 O GLN A 73 0.749 -1.780 9.309 1.00 34.11 O ATOM 590 CB GLN A 73 2.969 0.842 8.859 1.00 53.32 C ATOM 591 CG GLN A 73 3.198 0.526 10.338 1.00 45.01 C ATOM 592 CD GLN A 73 3.531 1.763 11.154 1.00 23.11 C ATOM 593 OE1 GLN A 73 2.648 2.434 11.681 1.00 71.32 O ATOM 594 NE2 GLN A 73 4.799 2.075 11.268 1.00 13.41 N ATOM 0 H GLN A 73 2.220 1.158 6.538 1.00 54.04 H new ATOM 0 HA GLN A 73 2.787 -1.127 7.960 1.00 4.54 H new ATOM 0 HB2 GLN A 73 3.935 0.974 8.372 1.00 53.32 H new ATOM 0 HB3 GLN A 73 2.439 1.791 8.778 1.00 53.32 H new ATOM 0 HG2 GLN A 73 2.305 0.054 10.748 1.00 45.01 H new ATOM 0 HG3 GLN A 73 4.010 -0.195 10.430 1.00 45.01 H new ATOM 0 HE21 GLN A 73 5.509 1.497 10.818 1.00 13.41 H new ATOM 0 HE22 GLN A 73 5.076 2.896 11.807 1.00 13.41 H new ATOM 603 N ARG A 74 0.105 0.382 9.229 1.00 32.11 N ATOM 604 CA ARG A 74 -1.054 0.182 10.096 1.00 74.30 C ATOM 605 C ARG A 74 -2.069 -0.803 9.500 1.00 62.51 C ATOM 606 O ARG A 74 -2.690 -1.563 10.231 1.00 13.01 O ATOM 607 CB ARG A 74 -1.734 1.514 10.434 1.00 61.54 C ATOM 608 CG ARG A 74 -0.866 2.444 11.281 1.00 63.40 C ATOM 609 CD ARG A 74 -1.705 3.494 12.003 1.00 63.21 C ATOM 610 NE ARG A 74 -2.687 2.881 12.905 1.00 52.54 N ATOM 611 CZ ARG A 74 -2.951 3.316 14.109 1.00 60.44 C ATOM 612 NH1 ARG A 74 -2.331 4.351 14.588 1.00 44.01 N ATOM 613 NH2 ARG A 74 -3.831 2.706 14.841 1.00 54.43 N ATOM 0 H ARG A 74 0.209 1.333 8.876 1.00 32.11 H new ATOM 0 HA ARG A 74 -0.676 -0.259 11.019 1.00 74.30 H new ATOM 0 HB2 ARG A 74 -2.000 2.022 9.507 1.00 61.54 H new ATOM 0 HB3 ARG A 74 -2.664 1.313 10.966 1.00 61.54 H new ATOM 0 HG2 ARG A 74 -0.309 1.857 12.012 1.00 63.40 H new ATOM 0 HG3 ARG A 74 -0.133 2.939 10.644 1.00 63.40 H new ATOM 0 HD2 ARG A 74 -1.050 4.154 12.573 1.00 63.21 H new ATOM 0 HD3 ARG A 74 -2.222 4.113 11.270 1.00 63.21 H new ATOM 0 HE ARG A 74 -3.196 2.063 12.571 1.00 52.54 H new ATOM 0 HH11 ARG A 74 -1.631 4.832 14.024 1.00 44.01 H new ATOM 0 HH12 ARG A 74 -2.544 4.683 15.529 1.00 44.01 H new ATOM 0 HH21 ARG A 74 -4.317 1.887 14.477 1.00 54.43 H new ATOM 0 HH22 ARG A 74 -4.037 3.046 15.780 1.00 54.43 H new ATOM 627 N THR A 75 -2.229 -0.802 8.182 1.00 44.42 N ATOM 628 CA THR A 75 -3.172 -1.724 7.530 1.00 35.22 C ATOM 629 C THR A 75 -2.870 -3.188 7.889 1.00 64.30 C ATOM 630 O THR A 75 -3.734 -3.912 8.396 1.00 61.22 O ATOM 631 CB THR A 75 -3.165 -1.564 5.990 1.00 31.34 C ATOM 632 OG1 THR A 75 -3.545 -0.225 5.630 1.00 61.44 O ATOM 633 CG2 THR A 75 -4.119 -2.555 5.327 1.00 14.10 C ATOM 0 H THR A 75 -1.728 -0.184 7.544 1.00 44.42 H new ATOM 0 HA THR A 75 -4.162 -1.463 7.904 1.00 35.22 H new ATOM 0 HB THR A 75 -2.153 -1.767 5.639 1.00 31.34 H new ATOM 0 HG1 THR A 75 -2.832 0.397 5.884 1.00 61.44 H new ATOM 0 HG21 THR A 75 -4.092 -2.418 4.246 1.00 14.10 H new ATOM 0 HG22 THR A 75 -3.814 -3.573 5.572 1.00 14.10 H new ATOM 0 HG23 THR A 75 -5.132 -2.383 5.689 1.00 14.10 H new ATOM 641 N PHE A 76 -1.630 -3.612 7.654 1.00 35.45 N ATOM 642 CA PHE A 76 -1.233 -5.002 7.908 1.00 4.11 C ATOM 643 C PHE A 76 -1.272 -5.371 9.403 1.00 44.52 C ATOM 644 O PHE A 76 -1.652 -6.488 9.751 1.00 63.01 O ATOM 645 CB PHE A 76 0.157 -5.283 7.323 1.00 14.21 C ATOM 646 CG PHE A 76 0.152 -5.448 5.822 1.00 43.23 C ATOM 647 CD1 PHE A 76 0.276 -4.353 4.983 1.00 73.52 C ATOM 648 CD2 PHE A 76 0.008 -6.707 5.253 1.00 14.42 C ATOM 649 CE1 PHE A 76 0.260 -4.509 3.609 1.00 21.34 C ATOM 650 CE2 PHE A 76 -0.008 -6.866 3.882 1.00 2.24 C ATOM 651 CZ PHE A 76 0.117 -5.766 3.059 1.00 3.05 C ATOM 0 H PHE A 76 -0.884 -3.019 7.290 1.00 35.45 H new ATOM 0 HA PHE A 76 -1.967 -5.633 7.407 1.00 4.11 H new ATOM 0 HB2 PHE A 76 0.827 -4.466 7.589 1.00 14.21 H new ATOM 0 HB3 PHE A 76 0.560 -6.187 7.779 1.00 14.21 H new ATOM 0 HD1 PHE A 76 0.386 -3.366 5.407 1.00 73.52 H new ATOM 0 HD2 PHE A 76 -0.093 -7.572 5.891 1.00 14.42 H new ATOM 0 HE1 PHE A 76 0.359 -3.647 2.966 1.00 21.34 H new ATOM 0 HE2 PHE A 76 -0.118 -7.851 3.454 1.00 2.24 H new ATOM 0 HZ PHE A 76 0.103 -5.889 1.986 1.00 3.05 H new ATOM 661 N ARG A 77 -0.885 -4.455 10.288 1.00 33.43 N ATOM 662 CA ARG A 77 -0.921 -4.746 11.731 1.00 23.45 C ATOM 663 C ARG A 77 -2.355 -4.714 12.298 1.00 72.34 C ATOM 664 O ARG A 77 -2.739 -5.591 13.068 1.00 3.43 O ATOM 665 CB ARG A 77 -0.021 -3.789 12.525 1.00 33.23 C ATOM 666 CG ARG A 77 -0.328 -2.311 12.312 1.00 4.43 C ATOM 667 CD ARG A 77 -0.198 -1.512 13.602 1.00 42.41 C ATOM 668 NE ARG A 77 -1.263 -1.851 14.547 1.00 22.02 N ATOM 669 CZ ARG A 77 -1.072 -2.184 15.791 1.00 21.24 C ATOM 670 NH1 ARG A 77 0.123 -2.276 16.278 1.00 1.22 N ATOM 671 NH2 ARG A 77 -2.093 -2.430 16.541 1.00 71.51 N ATOM 0 H ARG A 77 -0.549 -3.523 10.046 1.00 33.43 H new ATOM 0 HA ARG A 77 -0.537 -5.760 11.846 1.00 23.45 H new ATOM 0 HB2 ARG A 77 -0.116 -4.018 13.587 1.00 33.23 H new ATOM 0 HB3 ARG A 77 1.017 -3.975 12.250 1.00 33.23 H new ATOM 0 HG2 ARG A 77 0.351 -1.904 11.563 1.00 4.43 H new ATOM 0 HG3 ARG A 77 -1.339 -2.203 11.919 1.00 4.43 H new ATOM 0 HD2 ARG A 77 0.772 -1.709 14.058 1.00 42.41 H new ATOM 0 HD3 ARG A 77 -0.234 -0.446 13.377 1.00 42.41 H new ATOM 0 HE ARG A 77 -2.224 -1.824 14.206 1.00 22.02 H new ATOM 0 HH11 ARG A 77 0.931 -2.087 15.685 1.00 1.22 H new ATOM 0 HH12 ARG A 77 0.257 -2.538 17.255 1.00 1.22 H new ATOM 0 HH21 ARG A 77 -3.036 -2.363 16.157 1.00 71.51 H new ATOM 0 HH22 ARG A 77 -1.957 -2.692 17.517 1.00 71.51 H new ATOM 685 N GLU A 78 -3.150 -3.717 11.906 1.00 63.24 N ATOM 686 CA GLU A 78 -4.529 -3.580 12.411 1.00 74.30 C ATOM 687 C GLU A 78 -5.442 -4.709 11.893 1.00 33.54 C ATOM 688 O GLU A 78 -6.522 -4.947 12.441 1.00 1.14 O ATOM 689 CB GLU A 78 -5.115 -2.208 12.025 1.00 44.13 C ATOM 690 CG GLU A 78 -4.355 -1.007 12.599 1.00 34.33 C ATOM 691 CD GLU A 78 -4.564 -0.800 14.094 1.00 50.02 C ATOM 692 OE1 GLU A 78 -4.131 -1.657 14.888 1.00 23.15 O ATOM 693 OE2 GLU A 78 -5.137 0.241 14.481 1.00 43.42 O ATOM 0 H GLU A 78 -2.870 -2.993 11.244 1.00 63.24 H new ATOM 0 HA GLU A 78 -4.485 -3.656 13.497 1.00 74.30 H new ATOM 0 HB2 GLU A 78 -5.130 -2.126 10.938 1.00 44.13 H new ATOM 0 HB3 GLU A 78 -6.150 -2.162 12.362 1.00 44.13 H new ATOM 0 HG2 GLU A 78 -3.290 -1.137 12.406 1.00 34.33 H new ATOM 0 HG3 GLU A 78 -4.667 -0.106 12.071 1.00 34.33 H new ATOM 700 N GLN A 79 -5.017 -5.383 10.821 1.00 74.11 N ATOM 701 CA GLN A 79 -5.750 -6.543 10.285 1.00 4.11 C ATOM 702 C GLN A 79 -5.012 -7.870 10.552 1.00 5.25 C ATOM 703 O GLN A 79 -5.467 -8.699 11.341 1.00 75.11 O ATOM 704 CB GLN A 79 -5.982 -6.374 8.774 1.00 74.02 C ATOM 705 CG GLN A 79 -6.989 -5.282 8.419 1.00 15.21 C ATOM 706 CD GLN A 79 -8.407 -5.620 8.857 1.00 53.32 C ATOM 707 OE1 GLN A 79 -8.796 -6.783 8.913 1.00 22.11 O ATOM 708 NE2 GLN A 79 -9.194 -4.608 9.167 1.00 64.41 N ATOM 0 H GLN A 79 -4.169 -5.149 10.304 1.00 74.11 H new ATOM 0 HA GLN A 79 -6.709 -6.585 10.802 1.00 4.11 H new ATOM 0 HB2 GLN A 79 -5.030 -6.146 8.294 1.00 74.02 H new ATOM 0 HB3 GLN A 79 -6.329 -7.322 8.362 1.00 74.02 H new ATOM 0 HG2 GLN A 79 -6.683 -4.346 8.887 1.00 15.21 H new ATOM 0 HG3 GLN A 79 -6.976 -5.119 7.341 1.00 15.21 H new ATOM 0 HE21 GLN A 79 -8.842 -3.652 9.111 1.00 64.41 H new ATOM 0 HE22 GLN A 79 -10.155 -4.781 9.463 1.00 64.41 H new ATOM 717 N PHE A 80 -3.866 -8.060 9.900 1.00 51.32 N ATOM 718 CA PHE A 80 -3.148 -9.343 9.942 1.00 51.42 C ATOM 719 C PHE A 80 -2.125 -9.411 11.092 1.00 4.41 C ATOM 720 O PHE A 80 -1.433 -10.420 11.252 1.00 40.15 O ATOM 721 CB PHE A 80 -2.437 -9.585 8.601 1.00 3.02 C ATOM 722 CG PHE A 80 -3.359 -9.506 7.405 1.00 1.14 C ATOM 723 CD1 PHE A 80 -4.230 -10.548 7.112 1.00 63.12 C ATOM 724 CD2 PHE A 80 -3.361 -8.388 6.580 1.00 31.13 C ATOM 725 CE1 PHE A 80 -5.080 -10.476 6.023 1.00 53.43 C ATOM 726 CE2 PHE A 80 -4.209 -8.312 5.491 1.00 21.45 C ATOM 727 CZ PHE A 80 -5.070 -9.357 5.213 1.00 24.21 C ATOM 0 H PHE A 80 -3.410 -7.344 9.334 1.00 51.32 H new ATOM 0 HA PHE A 80 -3.889 -10.122 10.122 1.00 51.42 H new ATOM 0 HB2 PHE A 80 -1.640 -8.851 8.484 1.00 3.02 H new ATOM 0 HB3 PHE A 80 -1.965 -10.567 8.621 1.00 3.02 H new ATOM 0 HD1 PHE A 80 -4.244 -11.425 7.742 1.00 63.12 H new ATOM 0 HD2 PHE A 80 -2.691 -7.568 6.792 1.00 31.13 H new ATOM 0 HE1 PHE A 80 -5.751 -11.294 5.806 1.00 53.43 H new ATOM 0 HE2 PHE A 80 -4.199 -7.437 4.858 1.00 21.45 H new ATOM 0 HZ PHE A 80 -5.734 -9.299 4.363 1.00 24.21 H new ATOM 737 N GLY A 81 -2.027 -8.343 11.883 1.00 50.12 N ATOM 738 CA GLY A 81 -1.086 -8.320 13.003 1.00 61.04 C ATOM 739 C GLY A 81 0.368 -8.483 12.567 1.00 31.14 C ATOM 740 O GLY A 81 1.130 -9.247 13.168 1.00 43.03 O ATOM 0 H GLY A 81 -2.579 -7.493 11.772 1.00 50.12 H new ATOM 0 HA2 GLY A 81 -1.194 -7.378 13.541 1.00 61.04 H new ATOM 0 HA3 GLY A 81 -1.341 -9.117 13.701 1.00 61.04 H new ATOM 744 N LEU A 82 0.749 -7.773 11.508 1.00 22.10 N ATOM 745 CA LEU A 82 2.097 -7.879 10.939 1.00 21.34 C ATOM 746 C LEU A 82 2.966 -6.663 11.300 1.00 71.15 C ATOM 747 O LEU A 82 2.616 -5.519 11.001 1.00 34.44 O ATOM 748 CB LEU A 82 1.996 -8.020 9.413 1.00 72.31 C ATOM 749 CG LEU A 82 3.327 -8.224 8.670 1.00 63.44 C ATOM 750 CD1 LEU A 82 3.971 -9.554 9.058 1.00 32.23 C ATOM 751 CD2 LEU A 82 3.115 -8.145 7.158 1.00 5.54 C ATOM 0 H LEU A 82 0.142 -7.113 11.022 1.00 22.10 H new ATOM 0 HA LEU A 82 2.577 -8.761 11.363 1.00 21.34 H new ATOM 0 HB2 LEU A 82 1.343 -8.863 9.187 1.00 72.31 H new ATOM 0 HB3 LEU A 82 1.513 -7.127 9.016 1.00 72.31 H new ATOM 0 HG LEU A 82 4.006 -7.424 8.964 1.00 63.44 H new ATOM 0 HD11 LEU A 82 4.911 -9.674 8.519 1.00 32.23 H new ATOM 0 HD12 LEU A 82 4.164 -9.566 10.131 1.00 32.23 H new ATOM 0 HD13 LEU A 82 3.298 -10.372 8.802 1.00 32.23 H new ATOM 0 HD21 LEU A 82 4.068 -8.292 6.649 1.00 5.54 H new ATOM 0 HD22 LEU A 82 2.415 -8.920 6.848 1.00 5.54 H new ATOM 0 HD23 LEU A 82 2.711 -7.166 6.898 1.00 5.54 H new ATOM 763 N GLU A 83 4.103 -6.922 11.945 1.00 1.54 N ATOM 764 CA GLU A 83 5.047 -5.868 12.324 1.00 44.40 C ATOM 765 C GLU A 83 5.806 -5.309 11.109 1.00 20.21 C ATOM 766 O GLU A 83 6.794 -5.889 10.650 1.00 71.42 O ATOM 767 CB GLU A 83 6.042 -6.394 13.374 1.00 40.02 C ATOM 768 CG GLU A 83 5.464 -6.533 14.782 1.00 42.12 C ATOM 769 CD GLU A 83 4.188 -7.357 14.835 1.00 10.44 C ATOM 770 OE1 GLU A 83 4.199 -8.512 14.367 1.00 43.33 O ATOM 771 OE2 GLU A 83 3.169 -6.853 15.360 1.00 72.12 O ATOM 0 H GLU A 83 4.395 -7.860 12.218 1.00 1.54 H new ATOM 0 HA GLU A 83 4.467 -5.051 12.753 1.00 44.40 H new ATOM 0 HB2 GLU A 83 6.413 -7.366 13.050 1.00 40.02 H new ATOM 0 HB3 GLU A 83 6.900 -5.722 13.412 1.00 40.02 H new ATOM 0 HG2 GLU A 83 6.211 -6.993 15.429 1.00 42.12 H new ATOM 0 HG3 GLU A 83 5.263 -5.540 15.183 1.00 42.12 H new ATOM 778 N LEU A 84 5.320 -4.192 10.578 1.00 43.54 N ATOM 779 CA LEU A 84 6.015 -3.465 9.513 1.00 64.12 C ATOM 780 C LEU A 84 6.538 -2.116 10.034 1.00 11.14 C ATOM 781 O LEU A 84 5.819 -1.402 10.741 1.00 51.41 O ATOM 782 CB LEU A 84 5.079 -3.226 8.318 1.00 44.42 C ATOM 783 CG LEU A 84 4.574 -4.493 7.605 1.00 13.53 C ATOM 784 CD1 LEU A 84 3.639 -4.127 6.455 1.00 33.02 C ATOM 785 CD2 LEU A 84 5.745 -5.335 7.100 1.00 34.53 C ATOM 0 H LEU A 84 4.440 -3.765 10.868 1.00 43.54 H new ATOM 0 HA LEU A 84 6.858 -4.073 9.186 1.00 64.12 H new ATOM 0 HB2 LEU A 84 4.216 -2.657 8.664 1.00 44.42 H new ATOM 0 HB3 LEU A 84 5.600 -2.604 7.590 1.00 44.42 H new ATOM 0 HG LEU A 84 4.014 -5.088 8.326 1.00 13.53 H new ATOM 0 HD11 LEU A 84 3.293 -5.036 5.964 1.00 33.02 H new ATOM 0 HD12 LEU A 84 2.783 -3.576 6.844 1.00 33.02 H new ATOM 0 HD13 LEU A 84 4.173 -3.507 5.735 1.00 33.02 H new ATOM 0 HD21 LEU A 84 5.364 -6.225 6.600 1.00 34.53 H new ATOM 0 HD22 LEU A 84 6.338 -4.749 6.397 1.00 34.53 H new ATOM 0 HD23 LEU A 84 6.370 -5.632 7.942 1.00 34.53 H new ATOM 797 N PRO A 85 7.796 -1.748 9.699 1.00 31.52 N ATOM 798 CA PRO A 85 8.370 -0.445 10.087 1.00 74.34 C ATOM 799 C PRO A 85 7.655 0.735 9.404 1.00 32.45 C ATOM 800 O PRO A 85 6.666 0.549 8.693 1.00 64.43 O ATOM 801 CB PRO A 85 9.833 -0.546 9.623 1.00 61.13 C ATOM 802 CG PRO A 85 9.815 -1.570 8.539 1.00 3.11 C ATOM 803 CD PRO A 85 8.756 -2.565 8.928 1.00 43.13 C ATOM 0 HA PRO A 85 8.266 -0.252 11.155 1.00 74.34 H new ATOM 0 HB2 PRO A 85 10.199 0.413 9.256 1.00 61.13 H new ATOM 0 HB3 PRO A 85 10.488 -0.846 10.441 1.00 61.13 H new ATOM 0 HG2 PRO A 85 9.587 -1.114 7.575 1.00 3.11 H new ATOM 0 HG3 PRO A 85 10.787 -2.053 8.442 1.00 3.11 H new ATOM 0 HD2 PRO A 85 8.289 -3.019 8.054 1.00 43.13 H new ATOM 0 HD3 PRO A 85 9.167 -3.377 9.528 1.00 43.13 H new ATOM 811 N ARG A 86 8.150 1.952 9.614 1.00 64.54 N ATOM 812 CA ARG A 86 7.510 3.146 9.042 1.00 72.32 C ATOM 813 C ARG A 86 8.360 3.761 7.910 1.00 70.42 C ATOM 814 O ARG A 86 8.039 4.830 7.387 1.00 73.21 O ATOM 815 CB ARG A 86 7.251 4.184 10.147 1.00 44.55 C ATOM 816 CG ARG A 86 6.018 5.047 9.893 1.00 15.50 C ATOM 817 CD ARG A 86 5.815 6.105 10.976 1.00 11.33 C ATOM 818 NE ARG A 86 4.522 6.771 10.844 1.00 22.33 N ATOM 819 CZ ARG A 86 4.210 7.579 9.867 1.00 31.43 C ATOM 820 NH1 ARG A 86 5.081 7.906 8.969 1.00 62.21 N ATOM 821 NH2 ARG A 86 3.021 8.073 9.789 1.00 23.15 N ATOM 0 H ARG A 86 8.984 2.143 10.170 1.00 64.54 H new ATOM 0 HA ARG A 86 6.558 2.842 8.607 1.00 72.32 H new ATOM 0 HB2 ARG A 86 7.134 3.668 11.100 1.00 44.55 H new ATOM 0 HB3 ARG A 86 8.124 4.830 10.240 1.00 44.55 H new ATOM 0 HG2 ARG A 86 6.114 5.537 8.924 1.00 15.50 H new ATOM 0 HG3 ARG A 86 5.136 4.409 9.842 1.00 15.50 H new ATOM 0 HD2 ARG A 86 5.885 5.638 11.959 1.00 11.33 H new ATOM 0 HD3 ARG A 86 6.613 6.845 10.916 1.00 11.33 H new ATOM 0 HE ARG A 86 3.818 6.594 11.561 1.00 22.33 H new ATOM 0 HH11 ARG A 86 6.029 7.531 9.017 1.00 62.21 H new ATOM 0 HH12 ARG A 86 4.821 8.538 8.212 1.00 62.21 H new ATOM 0 HH21 ARG A 86 2.322 7.833 10.492 1.00 23.15 H new ATOM 0 HH22 ARG A 86 2.780 8.704 9.025 1.00 23.15 H new ATOM 835 N SER A 87 9.442 3.074 7.539 1.00 43.31 N ATOM 836 CA SER A 87 10.329 3.523 6.450 1.00 43.02 C ATOM 837 C SER A 87 10.171 2.620 5.216 1.00 64.21 C ATOM 838 O SER A 87 10.288 1.397 5.320 1.00 61.01 O ATOM 839 CB SER A 87 11.792 3.507 6.918 1.00 23.12 C ATOM 840 OG SER A 87 11.955 4.238 8.126 1.00 34.34 O ATOM 0 H SER A 87 9.731 2.199 7.976 1.00 43.31 H new ATOM 0 HA SER A 87 10.049 4.541 6.179 1.00 43.02 H new ATOM 0 HB2 SER A 87 12.117 2.477 7.067 1.00 23.12 H new ATOM 0 HB3 SER A 87 12.429 3.934 6.143 1.00 23.12 H new ATOM 0 HG SER A 87 12.633 3.802 8.683 1.00 34.34 H new ATOM 846 N THR A 88 9.929 3.224 4.048 1.00 12.32 N ATOM 847 CA THR A 88 9.629 2.467 2.818 1.00 21.01 C ATOM 848 C THR A 88 10.737 1.460 2.465 1.00 52.24 C ATOM 849 O THR A 88 10.458 0.300 2.148 1.00 32.31 O ATOM 850 CB THR A 88 9.409 3.399 1.597 1.00 41.13 C ATOM 851 OG1 THR A 88 8.603 4.527 1.970 1.00 24.22 O ATOM 852 CG2 THR A 88 8.714 2.648 0.465 1.00 31.43 C ATOM 0 H THR A 88 9.934 4.236 3.924 1.00 12.32 H new ATOM 0 HA THR A 88 8.708 1.926 3.033 1.00 21.01 H new ATOM 0 HB THR A 88 10.386 3.742 1.257 1.00 41.13 H new ATOM 0 HG1 THR A 88 7.924 4.244 2.618 1.00 24.22 H new ATOM 0 HG21 THR A 88 8.569 3.319 -0.382 1.00 31.43 H new ATOM 0 HG22 THR A 88 9.330 1.803 0.157 1.00 31.43 H new ATOM 0 HG23 THR A 88 7.746 2.285 0.810 1.00 31.43 H new ATOM 860 N TYR A 89 11.994 1.903 2.518 1.00 4.40 N ATOM 861 CA TYR A 89 13.138 1.029 2.204 1.00 62.43 C ATOM 862 C TYR A 89 13.199 -0.191 3.136 1.00 55.24 C ATOM 863 O TYR A 89 13.558 -1.286 2.712 1.00 51.11 O ATOM 864 CB TYR A 89 14.459 1.809 2.271 1.00 62.35 C ATOM 865 CG TYR A 89 14.754 2.620 1.022 1.00 30.24 C ATOM 866 CD1 TYR A 89 14.116 3.832 0.781 1.00 74.40 C ATOM 867 CD2 TYR A 89 15.667 2.161 0.076 1.00 12.50 C ATOM 868 CE1 TYR A 89 14.381 4.561 -0.362 1.00 74.41 C ATOM 869 CE2 TYR A 89 15.933 2.884 -1.069 1.00 14.44 C ATOM 870 CZ TYR A 89 15.289 4.081 -1.283 1.00 24.10 C ATOM 871 OH TYR A 89 15.544 4.796 -2.432 1.00 44.41 O ATOM 0 H TYR A 89 12.251 2.856 2.774 1.00 4.40 H new ATOM 0 HA TYR A 89 12.992 0.667 1.186 1.00 62.43 H new ATOM 0 HB2 TYR A 89 14.432 2.479 3.130 1.00 62.35 H new ATOM 0 HB3 TYR A 89 15.276 1.108 2.439 1.00 62.35 H new ATOM 0 HD1 TYR A 89 13.402 4.209 1.499 1.00 74.40 H new ATOM 0 HD2 TYR A 89 16.176 1.223 0.241 1.00 12.50 H new ATOM 0 HE1 TYR A 89 13.880 5.502 -0.534 1.00 74.41 H new ATOM 0 HE2 TYR A 89 16.643 2.512 -1.793 1.00 14.44 H new ATOM 0 HH TYR A 89 16.208 4.320 -2.973 1.00 44.41 H new ATOM 881 N GLU A 90 12.843 -0.001 4.400 1.00 33.04 N ATOM 882 CA GLU A 90 12.824 -1.104 5.366 1.00 53.33 C ATOM 883 C GLU A 90 11.606 -2.019 5.152 1.00 25.04 C ATOM 884 O GLU A 90 11.691 -3.238 5.318 1.00 43.21 O ATOM 885 CB GLU A 90 12.836 -0.555 6.798 1.00 50.12 C ATOM 886 CG GLU A 90 14.096 0.235 7.138 1.00 51.32 C ATOM 887 CD GLU A 90 14.123 0.709 8.582 1.00 34.12 C ATOM 888 OE1 GLU A 90 14.180 -0.143 9.490 1.00 40.33 O ATOM 889 OE2 GLU A 90 14.100 1.935 8.817 1.00 21.34 O ATOM 0 H GLU A 90 12.563 0.902 4.784 1.00 33.04 H new ATOM 0 HA GLU A 90 13.721 -1.703 5.208 1.00 53.33 H new ATOM 0 HB2 GLU A 90 11.966 0.086 6.940 1.00 50.12 H new ATOM 0 HB3 GLU A 90 12.738 -1.385 7.497 1.00 50.12 H new ATOM 0 HG2 GLU A 90 14.971 -0.386 6.948 1.00 51.32 H new ATOM 0 HG3 GLU A 90 14.168 1.098 6.476 1.00 51.32 H new ATOM 896 N GLN A 91 10.475 -1.425 4.777 1.00 20.13 N ATOM 897 CA GLN A 91 9.256 -2.190 4.482 1.00 3.43 C ATOM 898 C GLN A 91 9.448 -3.108 3.265 1.00 52.41 C ATOM 899 O GLN A 91 9.051 -4.274 3.283 1.00 53.32 O ATOM 900 CB GLN A 91 8.079 -1.235 4.232 1.00 53.21 C ATOM 901 CG GLN A 91 7.664 -0.424 5.457 1.00 43.14 C ATOM 902 CD GLN A 91 6.566 0.584 5.159 1.00 2.42 C ATOM 903 OE1 GLN A 91 6.471 1.110 4.057 1.00 70.23 O ATOM 904 NE2 GLN A 91 5.727 0.860 6.137 1.00 14.31 N ATOM 0 H GLN A 91 10.373 -0.416 4.669 1.00 20.13 H new ATOM 0 HA GLN A 91 9.039 -2.816 5.348 1.00 3.43 H new ATOM 0 HB2 GLN A 91 8.346 -0.549 3.429 1.00 53.21 H new ATOM 0 HB3 GLN A 91 7.223 -1.814 3.885 1.00 53.21 H new ATOM 0 HG2 GLN A 91 7.323 -1.104 6.237 1.00 43.14 H new ATOM 0 HG3 GLN A 91 8.535 0.101 5.850 1.00 43.14 H new ATOM 0 HE21 GLN A 91 5.833 0.405 7.044 1.00 14.31 H new ATOM 0 HE22 GLN A 91 4.972 1.529 5.987 1.00 14.31 H new ATOM 913 N GLN A 92 10.072 -2.577 2.213 1.00 24.12 N ATOM 914 CA GLN A 92 10.320 -3.346 0.988 1.00 74.41 C ATOM 915 C GLN A 92 11.246 -4.549 1.257 1.00 21.24 C ATOM 916 O GLN A 92 11.202 -5.553 0.547 1.00 3.51 O ATOM 917 CB GLN A 92 10.937 -2.441 -0.099 1.00 31.11 C ATOM 918 CG GLN A 92 12.447 -2.245 0.037 1.00 14.42 C ATOM 919 CD GLN A 92 13.019 -1.194 -0.904 1.00 54.41 C ATOM 920 OE1 GLN A 92 12.482 -0.930 -1.975 1.00 34.40 O ATOM 921 NE2 GLN A 92 14.130 -0.599 -0.518 1.00 51.52 N ATOM 0 H GLN A 92 10.416 -1.617 2.182 1.00 24.12 H new ATOM 0 HA GLN A 92 9.361 -3.727 0.636 1.00 74.41 H new ATOM 0 HB2 GLN A 92 10.724 -2.870 -1.078 1.00 31.11 H new ATOM 0 HB3 GLN A 92 10.450 -1.466 -0.065 1.00 31.11 H new ATOM 0 HG2 GLN A 92 12.676 -1.962 1.064 1.00 14.42 H new ATOM 0 HG3 GLN A 92 12.945 -3.196 -0.150 1.00 14.42 H new ATOM 0 HE21 GLN A 92 14.553 -0.840 0.378 1.00 51.52 H new ATOM 0 HE22 GLN A 92 14.567 0.103 -1.116 1.00 51.52 H new ATOM 930 N GLU A 93 12.092 -4.431 2.284 1.00 1.34 N ATOM 931 CA GLU A 93 13.044 -5.492 2.637 1.00 12.12 C ATOM 932 C GLU A 93 12.421 -6.547 3.570 1.00 54.30 C ATOM 933 O GLU A 93 13.018 -7.596 3.816 1.00 14.15 O ATOM 934 CB GLU A 93 14.293 -4.878 3.280 1.00 65.43 C ATOM 935 CG GLU A 93 15.106 -4.011 2.315 1.00 61.02 C ATOM 936 CD GLU A 93 16.313 -3.352 2.963 1.00 20.10 C ATOM 937 OE1 GLU A 93 16.846 -3.903 3.949 1.00 3.12 O ATOM 938 OE2 GLU A 93 16.755 -2.290 2.472 1.00 3.23 O ATOM 0 H GLU A 93 12.138 -3.610 2.888 1.00 1.34 H new ATOM 0 HA GLU A 93 13.323 -6.005 1.717 1.00 12.12 H new ATOM 0 HB2 GLU A 93 13.993 -4.273 4.136 1.00 65.43 H new ATOM 0 HB3 GLU A 93 14.928 -5.678 3.662 1.00 65.43 H new ATOM 0 HG2 GLU A 93 15.442 -4.627 1.481 1.00 61.02 H new ATOM 0 HG3 GLU A 93 14.459 -3.238 1.900 1.00 61.02 H new ATOM 945 N MET A 94 11.224 -6.267 4.089 1.00 25.12 N ATOM 946 CA MET A 94 10.478 -7.249 4.892 1.00 65.13 C ATOM 947 C MET A 94 10.048 -8.446 4.031 1.00 12.14 C ATOM 948 O MET A 94 10.055 -9.591 4.483 1.00 4.11 O ATOM 949 CB MET A 94 9.245 -6.591 5.534 1.00 30.03 C ATOM 950 CG MET A 94 9.579 -5.675 6.702 1.00 50.21 C ATOM 951 SD MET A 94 10.253 -6.581 8.111 1.00 34.00 S ATOM 952 CE MET A 94 8.867 -7.636 8.537 1.00 71.24 C ATOM 0 H MET A 94 10.748 -5.373 3.971 1.00 25.12 H new ATOM 0 HA MET A 94 11.137 -7.611 5.681 1.00 65.13 H new ATOM 0 HB2 MET A 94 8.713 -6.018 4.775 1.00 30.03 H new ATOM 0 HB3 MET A 94 8.566 -7.371 5.878 1.00 30.03 H new ATOM 0 HG2 MET A 94 10.299 -4.924 6.378 1.00 50.21 H new ATOM 0 HG3 MET A 94 8.680 -5.142 7.012 1.00 50.21 H new ATOM 0 HE1 MET A 94 8.676 -7.570 9.608 1.00 71.24 H new ATOM 0 HE2 MET A 94 7.982 -7.312 7.990 1.00 71.24 H new ATOM 0 HE3 MET A 94 9.100 -8.667 8.273 1.00 71.24 H new ATOM 962 N GLY A 95 9.676 -8.165 2.788 1.00 11.15 N ATOM 963 CA GLY A 95 9.331 -9.219 1.846 1.00 35.22 C ATOM 964 C GLY A 95 10.340 -9.327 0.713 1.00 43.53 C ATOM 965 O GLY A 95 11.181 -8.442 0.537 1.00 55.32 O ATOM 0 H GLY A 95 9.606 -7.220 2.411 1.00 11.15 H new ATOM 0 HA2 GLY A 95 9.275 -10.171 2.373 1.00 35.22 H new ATOM 0 HA3 GLY A 95 8.341 -9.025 1.432 1.00 35.22 H new ATOM 969 N LYS A 96 10.284 -10.414 -0.045 1.00 54.20 N ATOM 970 CA LYS A 96 11.164 -10.583 -1.208 1.00 35.22 C ATOM 971 C LYS A 96 10.550 -9.948 -2.468 1.00 13.32 C ATOM 972 O LYS A 96 9.340 -9.707 -2.531 1.00 35.43 O ATOM 973 CB LYS A 96 11.469 -12.071 -1.436 1.00 22.32 C ATOM 974 CG LYS A 96 12.312 -12.701 -0.325 1.00 52.50 C ATOM 975 CD LYS A 96 13.686 -12.039 -0.217 1.00 54.22 C ATOM 976 CE LYS A 96 14.566 -12.689 0.851 1.00 54.40 C ATOM 977 NZ LYS A 96 13.987 -12.571 2.219 1.00 42.34 N ATOM 0 H LYS A 96 9.644 -11.192 0.118 1.00 54.20 H new ATOM 0 HA LYS A 96 12.101 -10.066 -1.003 1.00 35.22 H new ATOM 0 HB2 LYS A 96 10.529 -12.617 -1.522 1.00 22.32 H new ATOM 0 HB3 LYS A 96 11.991 -12.185 -2.386 1.00 22.32 H new ATOM 0 HG2 LYS A 96 11.788 -12.610 0.626 1.00 52.50 H new ATOM 0 HG3 LYS A 96 12.435 -13.766 -0.520 1.00 52.50 H new ATOM 0 HD2 LYS A 96 14.190 -12.095 -1.182 1.00 54.22 H new ATOM 0 HD3 LYS A 96 13.559 -10.982 0.015 1.00 54.22 H new ATOM 0 HE2 LYS A 96 14.706 -13.743 0.609 1.00 54.40 H new ATOM 0 HE3 LYS A 96 15.552 -12.225 0.836 1.00 54.40 H new ATOM 0 HZ1 LYS A 96 14.660 -12.951 2.915 1.00 42.34 H new ATOM 0 HZ2 LYS A 96 13.798 -11.570 2.431 1.00 42.34 H new ATOM 0 HZ3 LYS A 96 13.098 -13.109 2.267 1.00 42.34 H new ATOM 991 N SER A 97 11.390 -9.675 -3.463 1.00 23.42 N ATOM 992 CA SER A 97 10.960 -8.958 -4.675 1.00 31.02 C ATOM 993 C SER A 97 10.209 -9.862 -5.659 1.00 4.01 C ATOM 994 O SER A 97 10.618 -10.990 -5.928 1.00 21.32 O ATOM 995 CB SER A 97 12.168 -8.327 -5.383 1.00 74.00 C ATOM 996 OG SER A 97 11.768 -7.584 -6.527 1.00 33.33 O ATOM 0 H SER A 97 12.376 -9.937 -3.460 1.00 23.42 H new ATOM 0 HA SER A 97 10.271 -8.179 -4.348 1.00 31.02 H new ATOM 0 HB2 SER A 97 12.698 -7.674 -4.690 1.00 74.00 H new ATOM 0 HB3 SER A 97 12.867 -9.109 -5.681 1.00 74.00 H new ATOM 0 HG SER A 97 11.918 -6.629 -6.366 1.00 33.33 H new ATOM 1002 N VAL A 98 9.100 -9.353 -6.183 1.00 13.02 N ATOM 1003 CA VAL A 98 8.343 -10.032 -7.236 1.00 54.51 C ATOM 1004 C VAL A 98 8.098 -9.090 -8.417 1.00 50.30 C ATOM 1005 O VAL A 98 7.883 -7.888 -8.238 1.00 20.23 O ATOM 1006 CB VAL A 98 6.985 -10.581 -6.726 1.00 4.41 C ATOM 1007 CG1 VAL A 98 7.196 -11.760 -5.785 1.00 1.15 C ATOM 1008 CG2 VAL A 98 6.165 -9.487 -6.047 1.00 22.24 C ATOM 0 H VAL A 98 8.699 -8.461 -5.893 1.00 13.02 H new ATOM 0 HA VAL A 98 8.948 -10.879 -7.559 1.00 54.51 H new ATOM 0 HB VAL A 98 6.422 -10.931 -7.592 1.00 4.41 H new ATOM 0 HG11 VAL A 98 6.230 -12.128 -5.440 1.00 1.15 H new ATOM 0 HG12 VAL A 98 7.721 -12.557 -6.312 1.00 1.15 H new ATOM 0 HG13 VAL A 98 7.789 -11.440 -4.928 1.00 1.15 H new ATOM 0 HG21 VAL A 98 5.219 -9.903 -5.701 1.00 22.24 H new ATOM 0 HG22 VAL A 98 6.720 -9.091 -5.197 1.00 22.24 H new ATOM 0 HG23 VAL A 98 5.969 -8.684 -6.758 1.00 22.24 H new ATOM 1018 N SER A 99 8.149 -9.637 -9.625 1.00 73.31 N ATOM 1019 CA SER A 99 7.926 -8.847 -10.838 1.00 52.22 C ATOM 1020 C SER A 99 6.436 -8.806 -11.210 1.00 63.30 C ATOM 1021 O SER A 99 5.603 -9.451 -10.568 1.00 31.31 O ATOM 1022 CB SER A 99 8.737 -9.429 -12.005 1.00 42.00 C ATOM 1023 OG SER A 99 8.552 -8.669 -13.190 1.00 14.32 O ATOM 0 H SER A 99 8.342 -10.624 -9.795 1.00 73.31 H new ATOM 0 HA SER A 99 8.257 -7.828 -10.639 1.00 52.22 H new ATOM 0 HB2 SER A 99 9.795 -9.446 -11.743 1.00 42.00 H new ATOM 0 HB3 SER A 99 8.435 -10.461 -12.181 1.00 42.00 H new ATOM 0 HG SER A 99 8.737 -7.725 -13.005 1.00 14.32 H new ATOM 1029 N ARG A 100 6.116 -8.063 -12.266 1.00 41.52 N ATOM 1030 CA ARG A 100 4.739 -7.932 -12.771 1.00 21.20 C ATOM 1031 C ARG A 100 4.052 -9.305 -12.953 1.00 62.25 C ATOM 1032 O ARG A 100 2.833 -9.426 -12.823 1.00 43.14 O ATOM 1033 CB ARG A 100 4.776 -7.166 -14.105 1.00 54.31 C ATOM 1034 CG ARG A 100 3.462 -7.141 -14.885 1.00 4.11 C ATOM 1035 CD ARG A 100 2.385 -6.290 -14.219 1.00 11.24 C ATOM 1036 NE ARG A 100 1.170 -6.250 -15.031 1.00 23.13 N ATOM 1037 CZ ARG A 100 0.427 -5.188 -15.203 1.00 44.40 C ATOM 1038 NH1 ARG A 100 0.691 -4.080 -14.583 1.00 2.32 N ATOM 1039 NH2 ARG A 100 -0.589 -5.238 -15.998 1.00 34.22 N ATOM 0 H ARG A 100 6.801 -7.531 -12.802 1.00 41.52 H new ATOM 0 HA ARG A 100 4.150 -7.383 -12.036 1.00 21.20 H new ATOM 0 HB2 ARG A 100 5.080 -6.138 -13.906 1.00 54.31 H new ATOM 0 HB3 ARG A 100 5.545 -7.609 -14.737 1.00 54.31 H new ATOM 0 HG2 ARG A 100 3.650 -6.759 -15.888 1.00 4.11 H new ATOM 0 HG3 ARG A 100 3.093 -8.161 -14.996 1.00 4.11 H new ATOM 0 HD2 ARG A 100 2.155 -6.695 -13.234 1.00 11.24 H new ATOM 0 HD3 ARG A 100 2.759 -5.277 -14.068 1.00 11.24 H new ATOM 0 HE ARG A 100 0.882 -7.111 -15.496 1.00 23.13 H new ATOM 0 HH11 ARG A 100 1.489 -4.028 -13.950 1.00 2.32 H new ATOM 0 HH12 ARG A 100 0.101 -3.261 -14.729 1.00 2.32 H new ATOM 0 HH21 ARG A 100 -0.810 -6.104 -16.489 1.00 34.22 H new ATOM 0 HH22 ARG A 100 -1.171 -4.411 -16.135 1.00 34.22 H new ATOM 1053 N SER A 101 4.849 -10.337 -13.234 1.00 25.25 N ATOM 1054 CA SER A 101 4.326 -11.696 -13.469 1.00 14.42 C ATOM 1055 C SER A 101 4.103 -12.486 -12.165 1.00 50.35 C ATOM 1056 O SER A 101 3.331 -13.443 -12.145 1.00 10.42 O ATOM 1057 CB SER A 101 5.293 -12.481 -14.368 1.00 35.25 C ATOM 1058 OG SER A 101 5.520 -11.809 -15.599 1.00 64.12 O ATOM 0 H SER A 101 5.864 -10.263 -13.306 1.00 25.25 H new ATOM 0 HA SER A 101 3.357 -11.578 -13.954 1.00 14.42 H new ATOM 0 HB2 SER A 101 6.241 -12.622 -13.849 1.00 35.25 H new ATOM 0 HB3 SER A 101 4.886 -13.473 -14.563 1.00 35.25 H new ATOM 0 HG SER A 101 6.140 -12.333 -16.148 1.00 64.12 H new ATOM 1064 N ASN A 102 4.769 -12.089 -11.079 1.00 14.21 N ATOM 1065 CA ASN A 102 4.774 -12.884 -9.833 1.00 35.22 C ATOM 1066 C ASN A 102 3.941 -12.241 -8.704 1.00 5.35 C ATOM 1067 O ASN A 102 4.006 -12.684 -7.556 1.00 62.55 O ATOM 1068 CB ASN A 102 6.217 -13.079 -9.352 1.00 42.23 C ATOM 1069 CG ASN A 102 7.104 -13.684 -10.422 1.00 23.41 C ATOM 1070 OD1 ASN A 102 7.689 -12.970 -11.232 1.00 24.11 O ATOM 1071 ND2 ASN A 102 7.222 -14.998 -10.433 1.00 72.12 N ATOM 0 H ASN A 102 5.312 -11.227 -11.029 1.00 14.21 H new ATOM 0 HA ASN A 102 4.313 -13.843 -10.067 1.00 35.22 H new ATOM 0 HB2 ASN A 102 6.628 -12.118 -9.044 1.00 42.23 H new ATOM 0 HB3 ASN A 102 6.221 -13.724 -8.473 1.00 42.23 H new ATOM 0 HD21 ASN A 102 7.814 -15.451 -11.129 1.00 72.12 H new ATOM 0 HD22 ASN A 102 6.722 -15.561 -9.745 1.00 72.12 H new ATOM 1078 N LEU A 103 3.155 -11.220 -9.038 1.00 64.00 N ATOM 1079 CA LEU A 103 2.343 -10.483 -8.048 1.00 50.52 C ATOM 1080 C LEU A 103 1.378 -11.397 -7.262 1.00 24.13 C ATOM 1081 O LEU A 103 0.934 -12.436 -7.762 1.00 51.32 O ATOM 1082 CB LEU A 103 1.549 -9.374 -8.752 1.00 53.42 C ATOM 1083 CG LEU A 103 2.403 -8.302 -9.450 1.00 31.51 C ATOM 1084 CD1 LEU A 103 1.522 -7.291 -10.182 1.00 65.11 C ATOM 1085 CD2 LEU A 103 3.308 -7.597 -8.440 1.00 4.41 C ATOM 0 H LEU A 103 3.057 -10.875 -9.993 1.00 64.00 H new ATOM 0 HA LEU A 103 3.035 -10.053 -7.324 1.00 50.52 H new ATOM 0 HB2 LEU A 103 0.893 -9.832 -9.492 1.00 53.42 H new ATOM 0 HB3 LEU A 103 0.909 -8.885 -8.018 1.00 53.42 H new ATOM 0 HG LEU A 103 3.031 -8.798 -10.190 1.00 31.51 H new ATOM 0 HD11 LEU A 103 2.151 -6.544 -10.667 1.00 65.11 H new ATOM 0 HD12 LEU A 103 0.925 -7.806 -10.934 1.00 65.11 H new ATOM 0 HD13 LEU A 103 0.861 -6.800 -9.468 1.00 65.11 H new ATOM 0 HD21 LEU A 103 3.905 -6.842 -8.951 1.00 4.41 H new ATOM 0 HD22 LEU A 103 2.696 -7.119 -7.675 1.00 4.41 H new ATOM 0 HD23 LEU A 103 3.969 -8.327 -7.972 1.00 4.41 H new ATOM 1097 N ARG A 104 1.059 -10.993 -6.030 1.00 12.32 N ATOM 1098 CA ARG A 104 0.160 -11.755 -5.145 1.00 40.53 C ATOM 1099 C ARG A 104 -0.775 -10.818 -4.363 1.00 5.31 C ATOM 1100 O ARG A 104 -0.373 -9.734 -3.948 1.00 22.55 O ATOM 1101 CB ARG A 104 0.967 -12.601 -4.145 1.00 23.34 C ATOM 1102 CG ARG A 104 1.781 -13.728 -4.775 1.00 54.41 C ATOM 1103 CD ARG A 104 2.552 -14.518 -3.719 1.00 61.14 C ATOM 1104 NE ARG A 104 3.294 -15.640 -4.293 1.00 42.44 N ATOM 1105 CZ ARG A 104 4.262 -16.271 -3.680 1.00 72.13 C ATOM 1106 NH1 ARG A 104 4.630 -15.920 -2.488 1.00 3.25 N ATOM 1107 NH2 ARG A 104 4.851 -17.266 -4.258 1.00 74.21 N ATOM 0 H ARG A 104 1.413 -10.131 -5.614 1.00 12.32 H new ATOM 0 HA ARG A 104 -0.438 -12.410 -5.779 1.00 40.53 H new ATOM 0 HB2 ARG A 104 1.643 -11.945 -3.597 1.00 23.34 H new ATOM 0 HB3 ARG A 104 0.280 -13.031 -3.416 1.00 23.34 H new ATOM 0 HG2 ARG A 104 1.116 -14.399 -5.319 1.00 54.41 H new ATOM 0 HG3 ARG A 104 2.479 -13.312 -5.502 1.00 54.41 H new ATOM 0 HD2 ARG A 104 3.246 -13.852 -3.206 1.00 61.14 H new ATOM 0 HD3 ARG A 104 1.855 -14.892 -2.969 1.00 61.14 H new ATOM 0 HE ARG A 104 3.041 -15.950 -5.231 1.00 42.44 H new ATOM 0 HH11 ARG A 104 4.163 -15.144 -2.018 1.00 3.25 H new ATOM 0 HH12 ARG A 104 5.386 -16.420 -2.020 1.00 3.25 H new ATOM 0 HH21 ARG A 104 4.561 -17.558 -5.191 1.00 74.21 H new ATOM 0 HH22 ARG A 104 5.606 -17.759 -3.781 1.00 74.21 H new ATOM 1121 N THR A 105 -2.017 -11.245 -4.142 1.00 51.54 N ATOM 1122 CA THR A 105 -2.971 -10.443 -3.361 1.00 50.11 C ATOM 1123 C THR A 105 -2.432 -10.169 -1.951 1.00 33.03 C ATOM 1124 O THR A 105 -2.545 -11.011 -1.056 1.00 4.20 O ATOM 1125 CB THR A 105 -4.355 -11.137 -3.241 1.00 61.43 C ATOM 1126 OG1 THR A 105 -4.853 -11.474 -4.546 1.00 61.10 O ATOM 1127 CG2 THR A 105 -5.369 -10.237 -2.531 1.00 21.32 C ATOM 0 H THR A 105 -2.388 -12.131 -4.486 1.00 51.54 H new ATOM 0 HA THR A 105 -3.097 -9.503 -3.899 1.00 50.11 H new ATOM 0 HB THR A 105 -4.222 -12.043 -2.650 1.00 61.43 H new ATOM 0 HG1 THR A 105 -5.725 -11.913 -4.460 1.00 61.10 H new ATOM 0 HG21 THR A 105 -6.327 -10.752 -2.463 1.00 21.32 H new ATOM 0 HG22 THR A 105 -5.010 -10.005 -1.528 1.00 21.32 H new ATOM 0 HG23 THR A 105 -5.493 -9.313 -3.095 1.00 21.32 H new ATOM 1135 N GLY A 106 -1.821 -9.001 -1.772 1.00 54.03 N ATOM 1136 CA GLY A 106 -1.265 -8.631 -0.476 1.00 54.31 C ATOM 1137 C GLY A 106 0.225 -8.284 -0.519 1.00 0.43 C ATOM 1138 O GLY A 106 0.877 -8.230 0.528 1.00 20.03 O ATOM 0 H GLY A 106 -1.699 -8.300 -2.503 1.00 54.03 H new ATOM 0 HA2 GLY A 106 -1.816 -7.776 -0.085 1.00 54.31 H new ATOM 0 HA3 GLY A 106 -1.417 -9.454 0.222 1.00 54.31 H new ATOM 1142 N ASP A 107 0.784 -8.068 -1.715 1.00 72.04 N ATOM 1143 CA ASP A 107 2.177 -7.619 -1.825 1.00 71.23 C ATOM 1144 C ASP A 107 2.270 -6.083 -1.780 1.00 1.53 C ATOM 1145 O ASP A 107 1.261 -5.379 -1.875 1.00 55.14 O ATOM 1146 CB ASP A 107 2.854 -8.174 -3.098 1.00 65.20 C ATOM 1147 CG ASP A 107 2.322 -7.580 -4.393 1.00 55.41 C ATOM 1148 OD1 ASP A 107 2.652 -6.416 -4.694 1.00 61.34 O ATOM 1149 OD2 ASP A 107 1.596 -8.286 -5.122 1.00 65.15 O ATOM 0 H ASP A 107 0.304 -8.194 -2.606 1.00 72.04 H new ATOM 0 HA ASP A 107 2.715 -8.017 -0.965 1.00 71.23 H new ATOM 0 HB2 ASP A 107 3.926 -7.986 -3.038 1.00 65.20 H new ATOM 0 HB3 ASP A 107 2.721 -9.256 -3.125 1.00 65.20 H new ATOM 1154 N LEU A 108 3.489 -5.575 -1.620 1.00 55.12 N ATOM 1155 CA LEU A 108 3.734 -4.133 -1.571 1.00 2.11 C ATOM 1156 C LEU A 108 4.311 -3.640 -2.902 1.00 62.45 C ATOM 1157 O LEU A 108 5.437 -3.988 -3.265 1.00 10.12 O ATOM 1158 CB LEU A 108 4.702 -3.798 -0.424 1.00 32.52 C ATOM 1159 CG LEU A 108 4.292 -4.328 0.962 1.00 52.34 C ATOM 1160 CD1 LEU A 108 5.263 -3.840 2.040 1.00 41.25 C ATOM 1161 CD2 LEU A 108 2.857 -3.928 1.290 1.00 24.41 C ATOM 0 H LEU A 108 4.330 -6.144 -1.521 1.00 55.12 H new ATOM 0 HA LEU A 108 2.784 -3.628 -1.394 1.00 2.11 H new ATOM 0 HB2 LEU A 108 5.685 -4.199 -0.672 1.00 32.52 H new ATOM 0 HB3 LEU A 108 4.806 -2.715 -0.364 1.00 32.52 H new ATOM 0 HG LEU A 108 4.339 -5.417 0.940 1.00 52.34 H new ATOM 0 HD11 LEU A 108 4.953 -4.227 3.011 1.00 41.25 H new ATOM 0 HD12 LEU A 108 6.268 -4.195 1.812 1.00 41.25 H new ATOM 0 HD13 LEU A 108 5.260 -2.750 2.066 1.00 41.25 H new ATOM 0 HD21 LEU A 108 2.588 -4.313 2.274 1.00 24.41 H new ATOM 0 HD22 LEU A 108 2.773 -2.841 1.290 1.00 24.41 H new ATOM 0 HD23 LEU A 108 2.183 -4.344 0.541 1.00 24.41 H new ATOM 1173 N VAL A 109 3.552 -2.818 -3.616 1.00 10.33 N ATOM 1174 CA VAL A 109 3.976 -2.327 -4.931 1.00 40.45 C ATOM 1175 C VAL A 109 4.662 -0.957 -4.824 1.00 3.22 C ATOM 1176 O VAL A 109 4.092 0.008 -4.313 1.00 63.10 O ATOM 1177 CB VAL A 109 2.790 -2.246 -5.926 1.00 60.03 C ATOM 1178 CG1 VAL A 109 2.315 -3.642 -6.307 1.00 74.22 C ATOM 1179 CG2 VAL A 109 1.635 -1.431 -5.346 1.00 2.15 C ATOM 0 H VAL A 109 2.641 -2.475 -3.312 1.00 10.33 H new ATOM 0 HA VAL A 109 4.696 -3.049 -5.316 1.00 40.45 H new ATOM 0 HB VAL A 109 3.143 -1.739 -6.824 1.00 60.03 H new ATOM 0 HG11 VAL A 109 1.482 -3.565 -7.006 1.00 74.22 H new ATOM 0 HG12 VAL A 109 3.133 -4.189 -6.776 1.00 74.22 H new ATOM 0 HG13 VAL A 109 1.990 -4.172 -5.412 1.00 74.22 H new ATOM 0 HG21 VAL A 109 0.819 -1.392 -6.067 1.00 2.15 H new ATOM 0 HG22 VAL A 109 1.285 -1.900 -4.426 1.00 2.15 H new ATOM 0 HG23 VAL A 109 1.976 -0.419 -5.130 1.00 2.15 H new ATOM 1189 N LEU A 110 5.900 -0.895 -5.308 1.00 41.30 N ATOM 1190 CA LEU A 110 6.733 0.306 -5.201 1.00 51.10 C ATOM 1191 C LEU A 110 6.745 1.110 -6.510 1.00 32.44 C ATOM 1192 O LEU A 110 7.085 0.586 -7.574 1.00 43.41 O ATOM 1193 CB LEU A 110 8.168 -0.095 -4.829 1.00 14.44 C ATOM 1194 CG LEU A 110 8.304 -0.922 -3.540 1.00 73.32 C ATOM 1195 CD1 LEU A 110 9.741 -1.394 -3.359 1.00 64.50 C ATOM 1196 CD2 LEU A 110 7.840 -0.116 -2.327 1.00 33.53 C ATOM 0 H LEU A 110 6.356 -1.673 -5.785 1.00 41.30 H new ATOM 0 HA LEU A 110 6.307 0.940 -4.424 1.00 51.10 H new ATOM 0 HB2 LEU A 110 8.594 -0.666 -5.654 1.00 14.44 H new ATOM 0 HB3 LEU A 110 8.766 0.811 -4.725 1.00 14.44 H new ATOM 0 HG LEU A 110 7.663 -1.800 -3.626 1.00 73.32 H new ATOM 0 HD11 LEU A 110 9.819 -1.978 -2.442 1.00 64.50 H new ATOM 0 HD12 LEU A 110 10.031 -2.012 -4.209 1.00 64.50 H new ATOM 0 HD13 LEU A 110 10.403 -0.530 -3.297 1.00 64.50 H new ATOM 0 HD21 LEU A 110 7.945 -0.721 -1.426 1.00 33.53 H new ATOM 0 HD22 LEU A 110 8.449 0.783 -2.233 1.00 33.53 H new ATOM 0 HD23 LEU A 110 6.795 0.165 -2.455 1.00 33.53 H new ATOM 1208 N PHE A 111 6.381 2.385 -6.419 1.00 73.35 N ATOM 1209 CA PHE A 111 6.399 3.287 -7.574 1.00 21.14 C ATOM 1210 C PHE A 111 7.410 4.419 -7.370 1.00 41.15 C ATOM 1211 O PHE A 111 7.524 4.975 -6.274 1.00 71.22 O ATOM 1212 CB PHE A 111 5.003 3.878 -7.807 1.00 74.13 C ATOM 1213 CG PHE A 111 3.948 2.836 -8.061 1.00 40.21 C ATOM 1214 CD1 PHE A 111 3.764 2.312 -9.334 1.00 65.31 C ATOM 1215 CD2 PHE A 111 3.146 2.373 -7.030 1.00 35.23 C ATOM 1216 CE1 PHE A 111 2.803 1.350 -9.569 1.00 74.32 C ATOM 1217 CE2 PHE A 111 2.185 1.409 -7.261 1.00 32.45 C ATOM 1218 CZ PHE A 111 2.013 0.898 -8.532 1.00 34.34 C ATOM 0 H PHE A 111 6.067 2.823 -5.553 1.00 73.35 H new ATOM 0 HA PHE A 111 6.697 2.708 -8.448 1.00 21.14 H new ATOM 0 HB2 PHE A 111 4.717 4.469 -6.937 1.00 74.13 H new ATOM 0 HB3 PHE A 111 5.042 4.559 -8.657 1.00 74.13 H new ATOM 0 HD1 PHE A 111 4.380 2.661 -10.149 1.00 65.31 H new ATOM 0 HD2 PHE A 111 3.274 2.771 -6.034 1.00 35.23 H new ATOM 0 HE1 PHE A 111 2.669 0.951 -10.564 1.00 74.32 H new ATOM 0 HE2 PHE A 111 1.568 1.055 -6.448 1.00 32.45 H new ATOM 0 HZ PHE A 111 1.261 0.145 -8.714 1.00 34.34 H new ATOM 1228 N ARG A 112 8.151 4.751 -8.424 1.00 13.35 N ATOM 1229 CA ARG A 112 9.093 5.872 -8.383 1.00 3.30 C ATOM 1230 C ARG A 112 8.346 7.210 -8.429 1.00 44.12 C ATOM 1231 O ARG A 112 8.007 7.706 -9.499 1.00 31.22 O ATOM 1232 CB ARG A 112 10.086 5.786 -9.552 1.00 44.14 C ATOM 1233 CG ARG A 112 10.974 4.546 -9.519 1.00 15.11 C ATOM 1234 CD ARG A 112 11.994 4.557 -10.650 1.00 23.21 C ATOM 1235 NE ARG A 112 12.853 5.740 -10.605 1.00 73.31 N ATOM 1236 CZ ARG A 112 13.640 6.114 -11.579 1.00 62.34 C ATOM 1237 NH1 ARG A 112 13.711 5.422 -12.670 1.00 70.44 N ATOM 1238 NH2 ARG A 112 14.354 7.183 -11.461 1.00 23.22 N ATOM 0 H ARG A 112 8.119 4.261 -9.318 1.00 13.35 H new ATOM 0 HA ARG A 112 9.647 5.813 -7.446 1.00 3.30 H new ATOM 0 HB2 ARG A 112 9.530 5.798 -10.490 1.00 44.14 H new ATOM 0 HB3 ARG A 112 10.718 6.674 -9.545 1.00 44.14 H new ATOM 0 HG2 ARG A 112 11.492 4.494 -8.561 1.00 15.11 H new ATOM 0 HG3 ARG A 112 10.355 3.652 -9.595 1.00 15.11 H new ATOM 0 HD2 ARG A 112 12.610 3.660 -10.591 1.00 23.21 H new ATOM 0 HD3 ARG A 112 11.474 4.524 -11.607 1.00 23.21 H new ATOM 0 HE ARG A 112 12.837 6.310 -9.759 1.00 73.31 H new ATOM 0 HH11 ARG A 112 13.150 4.577 -12.775 1.00 70.44 H new ATOM 0 HH12 ARG A 112 14.328 5.722 -13.425 1.00 70.44 H new ATOM 0 HH21 ARG A 112 14.305 7.738 -10.606 1.00 23.22 H new ATOM 0 HH22 ARG A 112 14.968 7.473 -12.222 1.00 23.22 H new ATOM 1252 N ALA A 113 8.080 7.783 -7.263 1.00 74.10 N ATOM 1253 CA ALA A 113 7.343 9.046 -7.168 1.00 64.05 C ATOM 1254 C ALA A 113 8.292 10.253 -7.119 1.00 74.52 C ATOM 1255 O ALA A 113 9.459 10.122 -6.748 1.00 1.11 O ATOM 1256 CB ALA A 113 6.446 9.027 -5.941 1.00 50.14 C ATOM 0 H ALA A 113 8.363 7.395 -6.363 1.00 74.10 H new ATOM 0 HA ALA A 113 6.730 9.149 -8.063 1.00 64.05 H new ATOM 0 HB1 ALA A 113 5.900 9.968 -5.875 1.00 50.14 H new ATOM 0 HB2 ALA A 113 5.738 8.202 -6.020 1.00 50.14 H new ATOM 0 HB3 ALA A 113 7.056 8.897 -5.047 1.00 50.14 H new ATOM 1301 N ARG A 118 10.040 6.740 -3.110 1.00 51.03 N ATOM 1302 CA ARG A 118 9.575 5.349 -3.082 1.00 74.40 C ATOM 1303 C ARG A 118 8.164 5.274 -2.488 1.00 51.32 C ATOM 1304 O ARG A 118 7.991 5.205 -1.270 1.00 14.21 O ATOM 1305 CB ARG A 118 10.540 4.468 -2.270 1.00 30.14 C ATOM 1306 CG ARG A 118 11.957 4.415 -2.838 1.00 52.04 C ATOM 1307 CD ARG A 118 12.037 3.624 -4.144 1.00 72.33 C ATOM 1308 NE ARG A 118 12.036 2.171 -3.932 1.00 70.15 N ATOM 1309 CZ ARG A 118 12.492 1.305 -4.805 1.00 3.11 C ATOM 1310 NH1 ARG A 118 12.953 1.704 -5.948 1.00 22.14 N ATOM 1311 NH2 ARG A 118 12.493 0.035 -4.529 1.00 23.21 N ATOM 0 HA ARG A 118 9.548 4.976 -4.106 1.00 74.40 H new ATOM 0 HB2 ARG A 118 10.583 4.841 -1.247 1.00 30.14 H new ATOM 0 HB3 ARG A 118 10.140 3.455 -2.223 1.00 30.14 H new ATOM 0 HG2 ARG A 118 12.314 5.430 -3.010 1.00 52.04 H new ATOM 0 HG3 ARG A 118 12.623 3.963 -2.103 1.00 52.04 H new ATOM 0 HD2 ARG A 118 11.193 3.894 -4.779 1.00 72.33 H new ATOM 0 HD3 ARG A 118 12.943 3.907 -4.680 1.00 72.33 H new ATOM 0 HE ARG A 118 11.658 1.814 -3.054 1.00 70.15 H new ATOM 0 HH11 ARG A 118 12.963 2.698 -6.175 1.00 22.14 H new ATOM 0 HH12 ARG A 118 13.306 1.024 -6.621 1.00 22.14 H new ATOM 0 HH21 ARG A 118 12.138 -0.292 -3.630 1.00 23.21 H new ATOM 0 HH22 ARG A 118 12.849 -0.635 -5.211 1.00 23.21 H new ATOM 1325 N HIS A 119 7.158 5.318 -3.357 1.00 54.33 N ATOM 1326 CA HIS A 119 5.759 5.272 -2.926 1.00 45.03 C ATOM 1327 C HIS A 119 5.256 3.822 -2.890 1.00 25.42 C ATOM 1328 O HIS A 119 5.375 3.097 -3.879 1.00 1.54 O ATOM 1329 CB HIS A 119 4.897 6.113 -3.879 1.00 14.40 C ATOM 1330 CG HIS A 119 3.526 6.418 -3.353 1.00 62.10 C ATOM 1331 ND1 HIS A 119 3.258 7.605 -2.719 1.00 10.31 N ATOM 1332 CD2 HIS A 119 2.394 5.674 -3.394 1.00 70.13 C ATOM 1333 CE1 HIS A 119 1.982 7.560 -2.390 1.00 11.11 C ATOM 1334 NE2 HIS A 119 1.417 6.410 -2.778 1.00 41.21 N ATOM 0 H HIS A 119 7.283 5.386 -4.367 1.00 54.33 H new ATOM 0 HA HIS A 119 5.684 5.685 -1.920 1.00 45.03 H new ATOM 0 HB2 HIS A 119 5.412 7.051 -4.086 1.00 14.40 H new ATOM 0 HB3 HIS A 119 4.802 5.585 -4.828 1.00 14.40 H new ATOM 0 HD1 HIS A 119 3.912 8.367 -2.539 1.00 10.31 H new ATOM 0 HD2 HIS A 119 2.284 4.691 -3.828 1.00 70.13 H new ATOM 0 HE1 HIS A 119 1.459 8.351 -1.873 1.00 11.11 H new ATOM 1342 N VAL A 120 4.699 3.399 -1.758 1.00 74.33 N ATOM 1343 CA VAL A 120 4.263 2.007 -1.592 1.00 24.42 C ATOM 1344 C VAL A 120 2.731 1.881 -1.509 1.00 42.13 C ATOM 1345 O VAL A 120 2.062 2.615 -0.777 1.00 12.03 O ATOM 1346 CB VAL A 120 4.910 1.358 -0.336 1.00 34.42 C ATOM 1347 CG1 VAL A 120 4.527 2.104 0.939 1.00 1.54 C ATOM 1348 CG2 VAL A 120 4.542 -0.122 -0.234 1.00 72.31 C ATOM 0 H VAL A 120 4.538 3.993 -0.944 1.00 74.33 H new ATOM 0 HA VAL A 120 4.598 1.474 -2.482 1.00 24.42 H new ATOM 0 HB VAL A 120 5.992 1.432 -0.448 1.00 34.42 H new ATOM 0 HG11 VAL A 120 4.997 1.623 1.797 1.00 1.54 H new ATOM 0 HG12 VAL A 120 4.866 3.138 0.872 1.00 1.54 H new ATOM 0 HG13 VAL A 120 3.444 2.085 1.060 1.00 1.54 H new ATOM 0 HG21 VAL A 120 5.007 -0.552 0.653 1.00 72.31 H new ATOM 0 HG22 VAL A 120 3.459 -0.224 -0.161 1.00 72.31 H new ATOM 0 HG23 VAL A 120 4.897 -0.647 -1.121 1.00 72.31 H new ATOM 1358 N GLY A 121 2.189 0.945 -2.283 1.00 30.32 N ATOM 1359 CA GLY A 121 0.762 0.642 -2.228 1.00 21.41 C ATOM 1360 C GLY A 121 0.500 -0.833 -1.946 1.00 74.54 C ATOM 1361 O GLY A 121 1.381 -1.669 -2.138 1.00 20.04 O ATOM 0 H GLY A 121 2.715 0.385 -2.954 1.00 30.32 H new ATOM 0 HA2 GLY A 121 0.293 1.248 -1.453 1.00 21.41 H new ATOM 0 HA3 GLY A 121 0.296 0.918 -3.174 1.00 21.41 H new ATOM 1365 N ILE A 122 -0.705 -1.157 -1.488 1.00 53.04 N ATOM 1366 CA ILE A 122 -1.070 -2.547 -1.186 1.00 71.15 C ATOM 1367 C ILE A 122 -1.830 -3.185 -2.360 1.00 43.34 C ATOM 1368 O ILE A 122 -2.960 -2.791 -2.665 1.00 63.53 O ATOM 1369 CB ILE A 122 -1.942 -2.630 0.090 1.00 14.02 C ATOM 1370 CG1 ILE A 122 -1.267 -1.872 1.245 1.00 62.44 C ATOM 1371 CG2 ILE A 122 -2.189 -4.089 0.472 1.00 25.15 C ATOM 1372 CD1 ILE A 122 -2.098 -1.818 2.508 1.00 35.12 C ATOM 0 H ILE A 122 -1.449 -0.480 -1.316 1.00 53.04 H new ATOM 0 HA ILE A 122 -0.142 -3.095 -1.020 1.00 71.15 H new ATOM 0 HB ILE A 122 -2.906 -2.162 -0.112 1.00 14.02 H new ATOM 0 HG12 ILE A 122 -0.312 -2.347 1.470 1.00 62.44 H new ATOM 0 HG13 ILE A 122 -1.049 -0.854 0.921 1.00 62.44 H new ATOM 0 HG21 ILE A 122 -2.804 -4.131 1.371 1.00 25.15 H new ATOM 0 HG22 ILE A 122 -2.704 -4.596 -0.344 1.00 25.15 H new ATOM 0 HG23 ILE A 122 -1.235 -4.582 0.661 1.00 25.15 H new ATOM 0 HD11 ILE A 122 -1.556 -1.268 3.277 1.00 35.12 H new ATOM 0 HD12 ILE A 122 -3.043 -1.316 2.301 1.00 35.12 H new ATOM 0 HD13 ILE A 122 -2.295 -2.831 2.858 1.00 35.12 H new ATOM 1384 N TYR A 123 -1.210 -4.168 -3.006 1.00 44.34 N ATOM 1385 CA TYR A 123 -1.778 -4.796 -4.205 1.00 43.13 C ATOM 1386 C TYR A 123 -2.928 -5.763 -3.858 1.00 63.22 C ATOM 1387 O TYR A 123 -2.718 -6.803 -3.233 1.00 14.10 O ATOM 1388 CB TYR A 123 -0.675 -5.541 -4.971 1.00 73.14 C ATOM 1389 CG TYR A 123 -1.092 -5.996 -6.356 1.00 10.20 C ATOM 1390 CD1 TYR A 123 -1.155 -5.089 -7.409 1.00 31.34 C ATOM 1391 CD2 TYR A 123 -1.420 -7.322 -6.615 1.00 72.00 C ATOM 1392 CE1 TYR A 123 -1.535 -5.487 -8.672 1.00 43.00 C ATOM 1393 CE2 TYR A 123 -1.805 -7.727 -7.880 1.00 23.50 C ATOM 1394 CZ TYR A 123 -1.859 -6.806 -8.904 1.00 43.52 C ATOM 1395 OH TYR A 123 -2.246 -7.202 -10.168 1.00 2.51 O ATOM 0 H TYR A 123 -0.309 -4.552 -2.721 1.00 44.34 H new ATOM 0 HA TYR A 123 -2.193 -4.006 -4.832 1.00 43.13 H new ATOM 0 HB2 TYR A 123 0.196 -4.891 -5.059 1.00 73.14 H new ATOM 0 HB3 TYR A 123 -0.366 -6.411 -4.391 1.00 73.14 H new ATOM 0 HD1 TYR A 123 -0.901 -4.054 -7.233 1.00 31.34 H new ATOM 0 HD2 TYR A 123 -1.373 -8.047 -5.816 1.00 72.00 H new ATOM 0 HE1 TYR A 123 -1.579 -4.768 -9.477 1.00 43.00 H new ATOM 0 HE2 TYR A 123 -2.062 -8.760 -8.065 1.00 23.50 H new ATOM 0 HH TYR A 123 -2.439 -8.163 -10.165 1.00 2.51 H new ATOM 1405 N ILE A 124 -4.146 -5.417 -4.280 1.00 12.13 N ATOM 1406 CA ILE A 124 -5.328 -6.254 -4.012 1.00 34.30 C ATOM 1407 C ILE A 124 -5.704 -7.133 -5.221 1.00 30.31 C ATOM 1408 O ILE A 124 -6.585 -7.993 -5.131 1.00 50.13 O ATOM 1409 CB ILE A 124 -6.551 -5.391 -3.604 1.00 2.24 C ATOM 1410 CG1 ILE A 124 -6.939 -4.422 -4.737 1.00 71.35 C ATOM 1411 CG2 ILE A 124 -6.256 -4.629 -2.310 1.00 62.33 C ATOM 1412 CD1 ILE A 124 -8.149 -3.564 -4.426 1.00 25.41 C ATOM 0 H ILE A 124 -4.344 -4.567 -4.807 1.00 12.13 H new ATOM 0 HA ILE A 124 -5.057 -6.907 -3.183 1.00 34.30 H new ATOM 0 HB ILE A 124 -7.398 -6.054 -3.426 1.00 2.24 H new ATOM 0 HG12 ILE A 124 -6.091 -3.772 -4.952 1.00 71.35 H new ATOM 0 HG13 ILE A 124 -7.137 -4.997 -5.641 1.00 71.35 H new ATOM 0 HG21 ILE A 124 -7.123 -4.028 -2.036 1.00 62.33 H new ATOM 0 HG22 ILE A 124 -6.039 -5.338 -1.511 1.00 62.33 H new ATOM 0 HG23 ILE A 124 -5.395 -3.977 -2.460 1.00 62.33 H new ATOM 0 HD11 ILE A 124 -8.358 -2.909 -5.272 1.00 25.41 H new ATOM 0 HD12 ILE A 124 -9.011 -4.204 -4.241 1.00 25.41 H new ATOM 0 HD13 ILE A 124 -7.949 -2.960 -3.541 1.00 25.41 H new ATOM 1424 N GLY A 125 -5.042 -6.904 -6.356 1.00 72.03 N ATOM 1425 CA GLY A 125 -5.291 -7.710 -7.553 1.00 52.21 C ATOM 1426 C GLY A 125 -5.833 -6.897 -8.729 1.00 15.51 C ATOM 1427 O GLY A 125 -6.280 -5.763 -8.555 1.00 42.32 O ATOM 0 H GLY A 125 -4.337 -6.176 -6.472 1.00 72.03 H new ATOM 0 HA2 GLY A 125 -4.363 -8.197 -7.854 1.00 52.21 H new ATOM 0 HA3 GLY A 125 -6.001 -8.500 -7.309 1.00 52.21 H new ATOM 1431 N ASN A 126 -5.779 -7.482 -9.931 1.00 0.12 N ATOM 1432 CA ASN A 126 -6.289 -6.837 -11.157 1.00 12.43 C ATOM 1433 C ASN A 126 -5.594 -5.490 -11.433 1.00 13.11 C ATOM 1434 O ASN A 126 -6.187 -4.583 -12.025 1.00 11.31 O ATOM 1435 CB ASN A 126 -7.813 -6.645 -11.067 1.00 65.12 C ATOM 1436 CG ASN A 126 -8.550 -7.961 -10.909 1.00 24.33 C ATOM 1437 OD1 ASN A 126 -8.086 -9.006 -11.358 1.00 4.21 O ATOM 1438 ND2 ASN A 126 -9.702 -7.931 -10.276 1.00 73.31 N ATOM 0 H ASN A 126 -5.384 -8.410 -10.086 1.00 0.12 H new ATOM 0 HA ASN A 126 -6.061 -7.499 -11.993 1.00 12.43 H new ATOM 0 HB2 ASN A 126 -8.046 -5.997 -10.222 1.00 65.12 H new ATOM 0 HB3 ASN A 126 -8.167 -6.138 -11.965 1.00 65.12 H new ATOM 0 HD21 ASN A 126 -10.236 -8.791 -10.147 1.00 73.31 H new ATOM 0 HD22 ASN A 126 -10.062 -7.048 -9.914 1.00 73.31 H new ATOM 1445 N ASN A 127 -4.323 -5.391 -11.024 1.00 1.44 N ATOM 1446 CA ASN A 127 -3.521 -4.163 -11.179 1.00 32.10 C ATOM 1447 C ASN A 127 -4.042 -3.010 -10.306 1.00 3.15 C ATOM 1448 O ASN A 127 -3.630 -1.863 -10.474 1.00 30.24 O ATOM 1449 CB ASN A 127 -3.451 -3.737 -12.652 1.00 32.32 C ATOM 1450 CG ASN A 127 -2.800 -4.800 -13.517 1.00 1.20 C ATOM 1451 OD1 ASN A 127 -1.956 -5.561 -13.057 1.00 42.10 O ATOM 1452 ND2 ASN A 127 -3.184 -4.862 -14.775 1.00 34.12 N ATOM 0 H ASN A 127 -3.819 -6.157 -10.577 1.00 1.44 H new ATOM 0 HA ASN A 127 -2.514 -4.398 -10.834 1.00 32.10 H new ATOM 0 HB2 ASN A 127 -4.457 -3.535 -13.020 1.00 32.32 H new ATOM 0 HB3 ASN A 127 -2.889 -2.807 -12.735 1.00 32.32 H new ATOM 0 HD21 ASN A 127 -2.777 -5.559 -15.399 1.00 34.12 H new ATOM 0 HD22 ASN A 127 -3.889 -4.213 -15.126 1.00 34.12 H new ATOM 1459 N GLN A 128 -4.926 -3.328 -9.362 1.00 62.21 N ATOM 1460 CA GLN A 128 -5.455 -2.331 -8.428 1.00 53.41 C ATOM 1461 C GLN A 128 -4.768 -2.422 -7.061 1.00 62.44 C ATOM 1462 O GLN A 128 -4.424 -3.510 -6.586 1.00 54.15 O ATOM 1463 CB GLN A 128 -6.967 -2.507 -8.263 1.00 20.20 C ATOM 1464 CG GLN A 128 -7.754 -2.214 -9.535 1.00 12.12 C ATOM 1465 CD GLN A 128 -9.254 -2.379 -9.357 1.00 11.04 C ATOM 1466 OE1 GLN A 128 -10.045 -1.697 -9.997 1.00 54.02 O ATOM 1467 NE2 GLN A 128 -9.661 -3.302 -8.506 1.00 40.33 N ATOM 0 H GLN A 128 -5.293 -4.269 -9.222 1.00 62.21 H new ATOM 0 HA GLN A 128 -5.250 -1.345 -8.846 1.00 53.41 H new ATOM 0 HB2 GLN A 128 -7.174 -3.529 -7.944 1.00 20.20 H new ATOM 0 HB3 GLN A 128 -7.317 -1.848 -7.468 1.00 20.20 H new ATOM 0 HG2 GLN A 128 -7.542 -1.195 -9.860 1.00 12.12 H new ATOM 0 HG3 GLN A 128 -7.413 -2.879 -10.328 1.00 12.12 H new ATOM 0 HE21 GLN A 128 -8.978 -3.854 -7.987 1.00 40.33 H new ATOM 0 HE22 GLN A 128 -10.659 -3.463 -8.367 1.00 40.33 H new ATOM 1476 N PHE A 129 -4.580 -1.269 -6.432 1.00 12.43 N ATOM 1477 CA PHE A 129 -3.884 -1.184 -5.144 1.00 11.22 C ATOM 1478 C PHE A 129 -4.350 0.032 -4.329 1.00 24.34 C ATOM 1479 O PHE A 129 -4.682 1.079 -4.889 1.00 45.11 O ATOM 1480 CB PHE A 129 -2.365 -1.118 -5.382 1.00 60.30 C ATOM 1481 CG PHE A 129 -1.970 -0.126 -6.452 1.00 5.31 C ATOM 1482 CD1 PHE A 129 -1.931 -0.512 -7.784 1.00 14.45 C ATOM 1483 CD2 PHE A 129 -1.649 1.186 -6.131 1.00 13.42 C ATOM 1484 CE1 PHE A 129 -1.585 0.384 -8.771 1.00 62.13 C ATOM 1485 CE2 PHE A 129 -1.301 2.089 -7.118 1.00 61.14 C ATOM 1486 CZ PHE A 129 -1.269 1.688 -8.440 1.00 4.44 C ATOM 0 H PHE A 129 -4.901 -0.370 -6.792 1.00 12.43 H new ATOM 0 HA PHE A 129 -4.124 -2.077 -4.566 1.00 11.22 H new ATOM 0 HB2 PHE A 129 -1.869 -0.852 -4.449 1.00 60.30 H new ATOM 0 HB3 PHE A 129 -2.005 -2.108 -5.663 1.00 60.30 H new ATOM 0 HD1 PHE A 129 -2.175 -1.530 -8.051 1.00 14.45 H new ATOM 0 HD2 PHE A 129 -1.671 1.504 -5.099 1.00 13.42 H new ATOM 0 HE1 PHE A 129 -1.561 0.068 -9.803 1.00 62.13 H new ATOM 0 HE2 PHE A 129 -1.054 3.107 -6.856 1.00 61.14 H new ATOM 0 HZ PHE A 129 -0.998 2.392 -9.213 1.00 4.44 H new ATOM 1496 N VAL A 130 -4.377 -0.112 -3.005 1.00 25.31 N ATOM 1497 CA VAL A 130 -4.766 0.988 -2.112 1.00 11.02 C ATOM 1498 C VAL A 130 -3.527 1.676 -1.512 1.00 1.23 C ATOM 1499 O VAL A 130 -2.560 1.012 -1.131 1.00 52.44 O ATOM 1500 CB VAL A 130 -5.701 0.490 -0.974 1.00 60.01 C ATOM 1501 CG1 VAL A 130 -5.015 -0.569 -0.114 1.00 45.12 C ATOM 1502 CG2 VAL A 130 -6.186 1.659 -0.118 1.00 64.52 C ATOM 0 H VAL A 130 -4.135 -0.978 -2.523 1.00 25.31 H new ATOM 0 HA VAL A 130 -5.313 1.715 -2.713 1.00 11.02 H new ATOM 0 HB VAL A 130 -6.571 0.025 -1.438 1.00 60.01 H new ATOM 0 HG11 VAL A 130 -5.696 -0.896 0.672 1.00 45.12 H new ATOM 0 HG12 VAL A 130 -4.742 -1.422 -0.736 1.00 45.12 H new ATOM 0 HG13 VAL A 130 -4.117 -0.146 0.336 1.00 45.12 H new ATOM 0 HG21 VAL A 130 -6.839 1.286 0.671 1.00 64.52 H new ATOM 0 HG22 VAL A 130 -5.329 2.164 0.328 1.00 64.52 H new ATOM 0 HG23 VAL A 130 -6.737 2.363 -0.742 1.00 64.52 H new ATOM 1512 N HIS A 131 -3.554 3.006 -1.434 1.00 14.13 N ATOM 1513 CA HIS A 131 -2.400 3.772 -0.947 1.00 75.12 C ATOM 1514 C HIS A 131 -2.813 5.168 -0.457 1.00 72.34 C ATOM 1515 O HIS A 131 -3.973 5.566 -0.580 1.00 70.44 O ATOM 1516 CB HIS A 131 -1.351 3.908 -2.063 1.00 60.03 C ATOM 1517 CG HIS A 131 -1.814 4.729 -3.230 1.00 63.12 C ATOM 1518 ND1 HIS A 131 -1.275 5.965 -3.495 1.00 33.24 N ATOM 1519 CD2 HIS A 131 -2.757 4.452 -4.166 1.00 41.03 C ATOM 1520 CE1 HIS A 131 -1.889 6.407 -4.574 1.00 34.24 C ATOM 1521 NE2 HIS A 131 -2.794 5.526 -5.018 1.00 22.10 N ATOM 0 H HIS A 131 -4.357 3.576 -1.700 1.00 14.13 H new ATOM 0 HA HIS A 131 -1.974 3.229 -0.103 1.00 75.12 H new ATOM 0 HB2 HIS A 131 -0.449 4.358 -1.649 1.00 60.03 H new ATOM 0 HB3 HIS A 131 -1.078 2.913 -2.416 1.00 60.03 H new ATOM 0 HD1 HIS A 131 -0.547 6.443 -2.964 1.00 33.24 H new ATOM 0 HD2 HIS A 131 -3.361 3.559 -4.228 1.00 41.03 H new ATOM 0 HE1 HIS A 131 -1.688 7.360 -5.041 1.00 34.24 H new ATOM 1529 N ALA A 132 -1.852 5.904 0.100 1.00 14.44 N ATOM 1530 CA ALA A 132 -2.085 7.279 0.554 1.00 1.22 C ATOM 1531 C ALA A 132 -1.271 8.281 -0.280 1.00 62.21 C ATOM 1532 O ALA A 132 -0.058 8.409 -0.105 1.00 53.10 O ATOM 1533 CB ALA A 132 -1.742 7.414 2.036 1.00 42.44 C ATOM 0 H ALA A 132 -0.899 5.571 0.249 1.00 14.44 H new ATOM 0 HA ALA A 132 -3.142 7.507 0.417 1.00 1.22 H new ATOM 0 HB1 ALA A 132 -1.920 8.440 2.359 1.00 42.44 H new ATOM 0 HB2 ALA A 132 -2.368 6.737 2.617 1.00 42.44 H new ATOM 0 HB3 ALA A 132 -0.693 7.162 2.191 1.00 42.44 H new ATOM 1539 N SER A 133 -1.941 8.975 -1.199 1.00 42.30 N ATOM 1540 CA SER A 133 -1.281 9.955 -2.074 1.00 31.40 C ATOM 1541 C SER A 133 -1.264 11.353 -1.438 1.00 72.21 C ATOM 1542 O SER A 133 -2.042 11.641 -0.528 1.00 61.11 O ATOM 1543 CB SER A 133 -1.982 10.013 -3.435 1.00 33.02 C ATOM 1544 OG SER A 133 -1.327 10.917 -4.312 1.00 3.52 O ATOM 0 H SER A 133 -2.944 8.879 -1.361 1.00 42.30 H new ATOM 0 HA SER A 133 -0.250 9.631 -2.213 1.00 31.40 H new ATOM 0 HB2 SER A 133 -2.000 9.018 -3.881 1.00 33.02 H new ATOM 0 HB3 SER A 133 -3.019 10.320 -3.300 1.00 33.02 H new ATOM 0 HG SER A 133 -1.794 10.933 -5.173 1.00 3.52 H new ATOM 1550 N THR A 134 -0.399 12.226 -1.950 1.00 23.35 N ATOM 1551 CA THR A 134 -0.144 13.546 -1.340 1.00 10.54 C ATOM 1552 C THR A 134 -1.424 14.380 -1.152 1.00 51.02 C ATOM 1553 O THR A 134 -1.777 14.752 -0.033 1.00 53.41 O ATOM 1554 CB THR A 134 0.856 14.371 -2.183 1.00 45.33 C ATOM 1555 OG1 THR A 134 0.308 14.613 -3.488 1.00 4.21 O ATOM 1556 CG2 THR A 134 2.193 13.647 -2.315 1.00 63.55 C ATOM 0 H THR A 134 0.146 12.048 -2.794 1.00 23.35 H new ATOM 0 HA THR A 134 0.276 13.333 -0.357 1.00 10.54 H new ATOM 0 HB THR A 134 1.028 15.320 -1.674 1.00 45.33 H new ATOM 0 HG1 THR A 134 0.944 15.137 -4.018 1.00 4.21 H new ATOM 0 HG21 THR A 134 2.876 14.251 -2.913 1.00 63.55 H new ATOM 0 HG22 THR A 134 2.620 13.489 -1.325 1.00 63.55 H new ATOM 0 HG23 THR A 134 2.039 12.684 -2.802 1.00 63.55 H new ATOM 1564 N SER A 135 -2.103 14.703 -2.244 1.00 51.43 N ATOM 1565 CA SER A 135 -3.340 15.494 -2.171 1.00 34.43 C ATOM 1566 C SER A 135 -4.578 14.594 -2.117 1.00 13.41 C ATOM 1567 O SER A 135 -5.547 14.894 -1.419 1.00 3.41 O ATOM 1568 CB SER A 135 -3.437 16.450 -3.369 1.00 62.42 C ATOM 1569 OG SER A 135 -2.333 17.343 -3.401 1.00 41.15 O ATOM 0 H SER A 135 -1.827 14.435 -3.189 1.00 51.43 H new ATOM 0 HA SER A 135 -3.305 16.077 -1.251 1.00 34.43 H new ATOM 0 HB2 SER A 135 -3.471 15.876 -4.295 1.00 62.42 H new ATOM 0 HB3 SER A 135 -4.366 17.017 -3.311 1.00 62.42 H new ATOM 0 HG SER A 135 -2.417 17.940 -4.174 1.00 41.15 H new ATOM 1575 N SER A 136 -4.526 13.480 -2.838 1.00 14.24 N ATOM 1576 CA SER A 136 -5.666 12.555 -2.937 1.00 35.13 C ATOM 1577 C SER A 136 -5.971 11.867 -1.597 1.00 14.14 C ATOM 1578 O SER A 136 -7.119 11.518 -1.318 1.00 71.12 O ATOM 1579 CB SER A 136 -5.393 11.488 -4.008 1.00 42.50 C ATOM 1580 OG SER A 136 -4.976 12.080 -5.232 1.00 35.03 O ATOM 0 H SER A 136 -3.705 13.188 -3.368 1.00 14.24 H new ATOM 0 HA SER A 136 -6.537 13.148 -3.217 1.00 35.13 H new ATOM 0 HB2 SER A 136 -4.624 10.802 -3.653 1.00 42.50 H new ATOM 0 HB3 SER A 136 -6.294 10.898 -4.175 1.00 42.50 H new ATOM 0 HG SER A 136 -4.808 11.378 -5.894 1.00 35.03 H new ATOM 1586 N GLY A 137 -4.943 11.674 -0.772 1.00 21.51 N ATOM 1587 CA GLY A 137 -5.123 10.990 0.506 1.00 42.04 C ATOM 1588 C GLY A 137 -5.218 9.475 0.351 1.00 61.13 C ATOM 1589 O GLY A 137 -4.623 8.905 -0.563 1.00 5.14 O ATOM 0 H GLY A 137 -3.988 11.978 -0.963 1.00 21.51 H new ATOM 0 HA2 GLY A 137 -4.289 11.233 1.165 1.00 42.04 H new ATOM 0 HA3 GLY A 137 -6.028 11.360 0.988 1.00 42.04 H new ATOM 1593 N VAL A 138 -5.958 8.820 1.240 1.00 70.33 N ATOM 1594 CA VAL A 138 -6.129 7.361 1.179 1.00 31.15 C ATOM 1595 C VAL A 138 -7.158 6.950 0.105 1.00 32.05 C ATOM 1596 O VAL A 138 -8.373 7.067 0.310 1.00 3.00 O ATOM 1597 CB VAL A 138 -6.557 6.786 2.554 1.00 55.43 C ATOM 1598 CG1 VAL A 138 -6.693 5.267 2.495 1.00 74.32 C ATOM 1599 CG2 VAL A 138 -5.565 7.199 3.643 1.00 4.43 C ATOM 0 H VAL A 138 -6.450 9.269 2.012 1.00 70.33 H new ATOM 0 HA VAL A 138 -5.159 6.944 0.907 1.00 31.15 H new ATOM 0 HB VAL A 138 -7.534 7.200 2.804 1.00 55.43 H new ATOM 0 HG11 VAL A 138 -6.994 4.890 3.473 1.00 74.32 H new ATOM 0 HG12 VAL A 138 -7.446 4.998 1.755 1.00 74.32 H new ATOM 0 HG13 VAL A 138 -5.736 4.827 2.216 1.00 74.32 H new ATOM 0 HG21 VAL A 138 -5.883 6.786 4.600 1.00 4.43 H new ATOM 0 HG22 VAL A 138 -4.574 6.820 3.395 1.00 4.43 H new ATOM 0 HG23 VAL A 138 -5.531 8.286 3.711 1.00 4.43 H new ATOM 1609 N ILE A 139 -6.663 6.475 -1.043 1.00 45.34 N ATOM 1610 CA ILE A 139 -7.524 6.060 -2.167 1.00 1.41 C ATOM 1611 C ILE A 139 -7.002 4.775 -2.837 1.00 70.04 C ATOM 1612 O ILE A 139 -5.994 4.202 -2.418 1.00 70.21 O ATOM 1613 CB ILE A 139 -7.655 7.168 -3.263 1.00 11.13 C ATOM 1614 CG1 ILE A 139 -6.366 7.308 -4.107 1.00 61.40 C ATOM 1615 CG2 ILE A 139 -8.036 8.512 -2.645 1.00 15.31 C ATOM 1616 CD1 ILE A 139 -5.146 7.778 -3.337 1.00 3.12 C ATOM 0 H ILE A 139 -5.665 6.366 -1.223 1.00 45.34 H new ATOM 0 HA ILE A 139 -8.506 5.878 -1.729 1.00 1.41 H new ATOM 0 HB ILE A 139 -8.455 6.854 -3.934 1.00 11.13 H new ATOM 0 HG12 ILE A 139 -6.141 6.344 -4.562 1.00 61.40 H new ATOM 0 HG13 ILE A 139 -6.556 8.008 -4.921 1.00 61.40 H new ATOM 0 HG21 ILE A 139 -8.120 9.263 -3.431 1.00 15.31 H new ATOM 0 HG22 ILE A 139 -8.992 8.418 -2.130 1.00 15.31 H new ATOM 0 HG23 ILE A 139 -7.268 8.816 -1.933 1.00 15.31 H new ATOM 0 HD11 ILE A 139 -4.293 7.845 -4.012 1.00 3.12 H new ATOM 0 HD12 ILE A 139 -5.344 8.758 -2.904 1.00 3.12 H new ATOM 0 HD13 ILE A 139 -4.923 7.068 -2.541 1.00 3.12 H new ATOM 1628 N ILE A 140 -7.699 4.324 -3.881 1.00 73.13 N ATOM 1629 CA ILE A 140 -7.260 3.172 -4.679 1.00 43.52 C ATOM 1630 C ILE A 140 -6.880 3.611 -6.108 1.00 50.33 C ATOM 1631 O ILE A 140 -7.487 4.524 -6.674 1.00 21.32 O ATOM 1632 CB ILE A 140 -8.365 2.080 -4.746 1.00 23.40 C ATOM 1633 CG1 ILE A 140 -8.744 1.618 -3.326 1.00 1.13 C ATOM 1634 CG2 ILE A 140 -7.910 0.892 -5.598 1.00 4.21 C ATOM 1635 CD1 ILE A 140 -9.808 0.540 -3.291 1.00 20.34 C ATOM 0 H ILE A 140 -8.575 4.740 -4.197 1.00 73.13 H new ATOM 0 HA ILE A 140 -6.382 2.750 -4.189 1.00 43.52 H new ATOM 0 HB ILE A 140 -9.247 2.512 -5.219 1.00 23.40 H new ATOM 0 HG12 ILE A 140 -7.850 1.248 -2.825 1.00 1.13 H new ATOM 0 HG13 ILE A 140 -9.095 2.479 -2.757 1.00 1.13 H new ATOM 0 HG21 ILE A 140 -8.701 0.142 -5.629 1.00 4.21 H new ATOM 0 HG22 ILE A 140 -7.693 1.232 -6.610 1.00 4.21 H new ATOM 0 HG23 ILE A 140 -7.012 0.454 -5.162 1.00 4.21 H new ATOM 0 HD11 ILE A 140 -10.018 0.270 -2.256 1.00 20.34 H new ATOM 0 HD12 ILE A 140 -10.718 0.912 -3.761 1.00 20.34 H new ATOM 0 HD13 ILE A 140 -9.454 -0.338 -3.830 1.00 20.34 H new ATOM 1647 N SER A 141 -5.860 2.975 -6.681 1.00 34.32 N ATOM 1648 CA SER A 141 -5.412 3.292 -8.049 1.00 23.41 C ATOM 1649 C SER A 141 -5.110 2.017 -8.849 1.00 21.44 C ATOM 1650 O SER A 141 -5.045 0.921 -8.287 1.00 31.51 O ATOM 1651 CB SER A 141 -4.166 4.188 -8.011 1.00 32.43 C ATOM 1652 OG SER A 141 -4.423 5.405 -7.322 1.00 71.13 O ATOM 0 H SER A 141 -5.324 2.236 -6.225 1.00 34.32 H new ATOM 0 HA SER A 141 -6.223 3.824 -8.546 1.00 23.41 H new ATOM 0 HB2 SER A 141 -3.349 3.657 -7.522 1.00 32.43 H new ATOM 0 HB3 SER A 141 -3.841 4.406 -9.029 1.00 32.43 H new ATOM 0 HG SER A 141 -3.711 5.568 -6.669 1.00 71.13 H new ATOM 1658 N SER A 142 -4.908 2.169 -10.160 1.00 14.02 N ATOM 1659 CA SER A 142 -4.673 1.020 -11.050 1.00 31.21 C ATOM 1660 C SER A 142 -3.441 1.234 -11.944 1.00 21.13 C ATOM 1661 O SER A 142 -3.222 2.326 -12.468 1.00 41.31 O ATOM 1662 CB SER A 142 -5.904 0.768 -11.935 1.00 74.22 C ATOM 1663 OG SER A 142 -7.069 0.547 -11.155 1.00 24.05 O ATOM 0 H SER A 142 -4.902 3.073 -10.632 1.00 14.02 H new ATOM 0 HA SER A 142 -4.490 0.153 -10.415 1.00 31.21 H new ATOM 0 HB2 SER A 142 -6.062 1.623 -12.592 1.00 74.22 H new ATOM 0 HB3 SER A 142 -5.723 -0.096 -12.574 1.00 74.22 H new ATOM 0 HG SER A 142 -7.834 0.392 -11.747 1.00 24.05 H new ATOM 1669 N MET A 143 -2.652 0.174 -12.137 1.00 53.52 N ATOM 1670 CA MET A 143 -1.446 0.230 -12.984 1.00 32.14 C ATOM 1671 C MET A 143 -1.779 0.485 -14.463 1.00 11.01 C ATOM 1672 O MET A 143 -0.888 0.724 -15.272 1.00 51.52 O ATOM 1673 CB MET A 143 -0.641 -1.074 -12.863 1.00 72.34 C ATOM 1674 CG MET A 143 -0.069 -1.325 -11.477 1.00 60.43 C ATOM 1675 SD MET A 143 0.869 -2.864 -11.387 1.00 34.14 S ATOM 1676 CE MET A 143 1.405 -2.830 -9.679 1.00 53.14 C ATOM 0 H MET A 143 -2.824 -0.740 -11.718 1.00 53.52 H new ATOM 0 HA MET A 143 -0.851 1.069 -12.624 1.00 32.14 H new ATOM 0 HB2 MET A 143 -1.283 -1.911 -13.136 1.00 72.34 H new ATOM 0 HB3 MET A 143 0.177 -1.051 -13.583 1.00 72.34 H new ATOM 0 HG2 MET A 143 0.577 -0.493 -11.197 1.00 60.43 H new ATOM 0 HG3 MET A 143 -0.882 -1.355 -10.752 1.00 60.43 H new ATOM 0 HE1 MET A 143 1.999 -3.719 -9.466 1.00 53.14 H new ATOM 0 HE2 MET A 143 2.009 -1.940 -9.505 1.00 53.14 H new ATOM 0 HE3 MET A 143 0.534 -2.811 -9.025 1.00 53.14 H new ATOM 1686 N ASN A 144 -3.060 0.423 -14.819 1.00 63.10 N ATOM 1687 CA ASN A 144 -3.486 0.670 -16.200 1.00 24.35 C ATOM 1688 C ASN A 144 -3.481 2.172 -16.530 1.00 23.22 C ATOM 1689 O ASN A 144 -3.741 2.573 -17.669 1.00 34.22 O ATOM 1690 CB ASN A 144 -4.874 0.074 -16.444 1.00 21.35 C ATOM 1691 CG ASN A 144 -4.904 -1.426 -16.219 1.00 22.32 C ATOM 1692 OD1 ASN A 144 -3.901 -2.113 -16.381 1.00 43.10 O ATOM 1693 ND2 ASN A 144 -6.057 -1.952 -15.856 1.00 64.21 N ATOM 0 H ASN A 144 -3.821 0.205 -14.175 1.00 63.10 H new ATOM 0 HA ASN A 144 -2.771 0.182 -16.862 1.00 24.35 H new ATOM 0 HB2 ASN A 144 -5.594 0.553 -15.781 1.00 21.35 H new ATOM 0 HB3 ASN A 144 -5.186 0.292 -17.465 1.00 21.35 H new ATOM 0 HD21 ASN A 144 -6.133 -2.957 -15.702 1.00 64.21 H new ATOM 0 HD22 ASN A 144 -6.873 -1.354 -15.729 1.00 64.21 H new ATOM 1700 N GLU A 145 -3.203 2.995 -15.522 1.00 2.32 N ATOM 1701 CA GLU A 145 -2.994 4.428 -15.725 1.00 41.20 C ATOM 1702 C GLU A 145 -1.541 4.691 -16.154 1.00 5.03 C ATOM 1703 O GLU A 145 -0.607 4.253 -15.480 1.00 1.33 O ATOM 1704 CB GLU A 145 -3.300 5.199 -14.434 1.00 22.12 C ATOM 1705 CG GLU A 145 -4.742 5.070 -13.956 1.00 3.20 C ATOM 1706 CD GLU A 145 -5.741 5.663 -14.937 1.00 31.04 C ATOM 1707 OE1 GLU A 145 -5.906 6.901 -14.945 1.00 73.53 O ATOM 1708 OE2 GLU A 145 -6.362 4.898 -15.706 1.00 13.02 O ATOM 0 H GLU A 145 -3.117 2.693 -14.552 1.00 2.32 H new ATOM 0 HA GLU A 145 -3.668 4.771 -16.510 1.00 41.20 H new ATOM 0 HB2 GLU A 145 -2.635 4.845 -13.646 1.00 22.12 H new ATOM 0 HB3 GLU A 145 -3.074 6.254 -14.592 1.00 22.12 H new ATOM 0 HG2 GLU A 145 -4.975 4.017 -13.798 1.00 3.20 H new ATOM 0 HG3 GLU A 145 -4.847 5.568 -12.992 1.00 3.20 H new ATOM 1715 N PRO A 146 -1.327 5.412 -17.277 1.00 22.24 N ATOM 1716 CA PRO A 146 0.023 5.665 -17.817 1.00 14.33 C ATOM 1717 C PRO A 146 1.037 6.121 -16.756 1.00 61.24 C ATOM 1718 O PRO A 146 2.198 5.706 -16.778 1.00 54.34 O ATOM 1719 CB PRO A 146 -0.221 6.767 -18.853 1.00 20.52 C ATOM 1720 CG PRO A 146 -1.620 6.533 -19.317 1.00 32.11 C ATOM 1721 CD PRO A 146 -2.378 6.031 -18.111 1.00 53.54 C ATOM 0 HA PRO A 146 0.468 4.758 -18.225 1.00 14.33 H new ATOM 0 HB2 PRO A 146 -0.108 7.758 -18.414 1.00 20.52 H new ATOM 0 HB3 PRO A 146 0.488 6.701 -19.678 1.00 20.52 H new ATOM 0 HG2 PRO A 146 -2.063 7.452 -19.702 1.00 32.11 H new ATOM 0 HG3 PRO A 146 -1.646 5.803 -20.126 1.00 32.11 H new ATOM 0 HD2 PRO A 146 -2.881 6.843 -17.586 1.00 53.54 H new ATOM 0 HD3 PRO A 146 -3.145 5.309 -18.391 1.00 53.54 H new ATOM 1729 N TYR A 147 0.588 6.961 -15.822 1.00 45.11 N ATOM 1730 CA TYR A 147 1.442 7.439 -14.730 1.00 61.23 C ATOM 1731 C TYR A 147 1.961 6.276 -13.865 1.00 52.23 C ATOM 1732 O TYR A 147 3.162 6.149 -13.642 1.00 40.04 O ATOM 1733 CB TYR A 147 0.668 8.440 -13.858 1.00 23.41 C ATOM 1734 CG TYR A 147 1.443 8.940 -12.646 1.00 72.42 C ATOM 1735 CD1 TYR A 147 2.550 9.770 -12.795 1.00 54.32 C ATOM 1736 CD2 TYR A 147 1.067 8.577 -11.353 1.00 2.50 C ATOM 1737 CE1 TYR A 147 3.256 10.223 -11.697 1.00 74.03 C ATOM 1738 CE2 TYR A 147 1.769 9.029 -10.252 1.00 12.35 C ATOM 1739 CZ TYR A 147 2.862 9.849 -10.428 1.00 2.12 C ATOM 1740 OH TYR A 147 3.565 10.302 -9.330 1.00 45.34 O ATOM 0 H TYR A 147 -0.364 7.326 -15.799 1.00 45.11 H new ATOM 0 HA TYR A 147 2.306 7.935 -15.173 1.00 61.23 H new ATOM 0 HB2 TYR A 147 0.383 9.295 -14.471 1.00 23.41 H new ATOM 0 HB3 TYR A 147 -0.255 7.971 -13.517 1.00 23.41 H new ATOM 0 HD1 TYR A 147 2.863 10.065 -13.786 1.00 54.32 H new ATOM 0 HD2 TYR A 147 0.213 7.932 -11.210 1.00 2.50 H new ATOM 0 HE1 TYR A 147 4.113 10.867 -11.831 1.00 74.03 H new ATOM 0 HE2 TYR A 147 1.462 8.741 -9.257 1.00 12.35 H new ATOM 0 HH TYR A 147 3.158 9.948 -8.512 1.00 45.34 H new ATOM 1750 N TRP A 148 1.058 5.414 -13.407 1.00 21.41 N ATOM 1751 CA TRP A 148 1.436 4.323 -12.497 1.00 62.01 C ATOM 1752 C TRP A 148 2.205 3.218 -13.235 1.00 44.53 C ATOM 1753 O TRP A 148 3.105 2.592 -12.675 1.00 61.13 O ATOM 1754 CB TRP A 148 0.197 3.734 -11.807 1.00 2.24 C ATOM 1755 CG TRP A 148 -0.515 4.710 -10.911 1.00 52.34 C ATOM 1756 CD1 TRP A 148 -1.766 5.228 -11.087 1.00 24.43 C ATOM 1757 CD2 TRP A 148 -0.010 5.289 -9.700 1.00 74.54 C ATOM 1758 NE1 TRP A 148 -2.070 6.090 -10.063 1.00 22.33 N ATOM 1759 CE2 TRP A 148 -1.009 6.147 -9.201 1.00 64.25 C ATOM 1760 CE3 TRP A 148 1.190 5.168 -8.992 1.00 55.14 C ATOM 1761 CZ2 TRP A 148 -0.847 6.873 -8.025 1.00 2.42 C ATOM 1762 CZ3 TRP A 148 1.351 5.891 -7.824 1.00 4.34 C ATOM 1763 CH2 TRP A 148 0.338 6.736 -7.352 1.00 63.42 C ATOM 0 H TRP A 148 0.067 5.444 -13.645 1.00 21.41 H new ATOM 0 HA TRP A 148 2.094 4.745 -11.737 1.00 62.01 H new ATOM 0 HB2 TRP A 148 -0.498 3.379 -12.568 1.00 2.24 H new ATOM 0 HB3 TRP A 148 0.497 2.866 -11.219 1.00 2.24 H new ATOM 0 HD1 TRP A 148 -2.422 4.993 -11.913 1.00 24.43 H new ATOM 0 HE1 TRP A 148 -2.945 6.605 -9.961 1.00 22.33 H new ATOM 0 HE3 TRP A 148 1.977 4.521 -9.351 1.00 55.14 H new ATOM 0 HZ2 TRP A 148 -1.628 7.521 -7.656 1.00 2.42 H new ATOM 0 HZ3 TRP A 148 2.272 5.803 -7.267 1.00 4.34 H new ATOM 0 HH2 TRP A 148 0.495 7.291 -6.439 1.00 63.42 H new ATOM 1774 N LYS A 149 1.857 3.000 -14.500 1.00 53.04 N ATOM 1775 CA LYS A 149 2.472 1.937 -15.303 1.00 13.11 C ATOM 1776 C LYS A 149 3.951 2.231 -15.617 1.00 1.41 C ATOM 1777 O LYS A 149 4.790 1.326 -15.596 1.00 63.44 O ATOM 1778 CB LYS A 149 1.691 1.742 -16.608 1.00 74.14 C ATOM 1779 CG LYS A 149 2.097 0.489 -17.383 1.00 53.54 C ATOM 1780 CD LYS A 149 1.273 0.300 -18.654 1.00 53.22 C ATOM 1781 CE LYS A 149 1.463 1.446 -19.642 1.00 75.13 C ATOM 1782 NZ LYS A 149 0.735 1.203 -20.914 1.00 53.25 N ATOM 0 H LYS A 149 1.151 3.544 -14.996 1.00 53.04 H new ATOM 0 HA LYS A 149 2.435 1.021 -14.713 1.00 13.11 H new ATOM 0 HB2 LYS A 149 0.626 1.689 -16.380 1.00 74.14 H new ATOM 0 HB3 LYS A 149 1.838 2.615 -17.243 1.00 74.14 H new ATOM 0 HG2 LYS A 149 3.153 0.553 -17.644 1.00 53.54 H new ATOM 0 HG3 LYS A 149 1.979 -0.385 -16.743 1.00 53.54 H new ATOM 0 HD2 LYS A 149 1.555 -0.639 -19.131 1.00 53.22 H new ATOM 0 HD3 LYS A 149 0.218 0.220 -18.392 1.00 53.22 H new ATOM 0 HE2 LYS A 149 1.111 2.375 -19.193 1.00 75.13 H new ATOM 0 HE3 LYS A 149 2.525 1.575 -19.850 1.00 75.13 H new ATOM 0 HZ1 LYS A 149 0.888 2.003 -21.560 1.00 53.25 H new ATOM 0 HZ2 LYS A 149 1.088 0.330 -21.355 1.00 53.25 H new ATOM 0 HZ3 LYS A 149 -0.282 1.105 -20.719 1.00 53.25 H new ATOM 1796 N LYS A 150 4.270 3.493 -15.915 1.00 23.44 N ATOM 1797 CA LYS A 150 5.649 3.879 -16.249 1.00 3.32 C ATOM 1798 C LYS A 150 6.518 4.039 -14.991 1.00 32.44 C ATOM 1799 O LYS A 150 7.736 3.855 -15.039 1.00 21.20 O ATOM 1800 CB LYS A 150 5.673 5.185 -17.059 1.00 10.42 C ATOM 1801 CG LYS A 150 5.169 6.405 -16.288 1.00 33.43 C ATOM 1802 CD LYS A 150 5.367 7.706 -17.070 1.00 62.41 C ATOM 1803 CE LYS A 150 4.642 7.691 -18.412 1.00 4.32 C ATOM 1804 NZ LYS A 150 4.833 8.965 -19.156 1.00 70.32 N ATOM 0 H LYS A 150 3.600 4.262 -15.933 1.00 23.44 H new ATOM 0 HA LYS A 150 6.065 3.073 -16.853 1.00 3.32 H new ATOM 0 HB2 LYS A 150 6.693 5.375 -17.392 1.00 10.42 H new ATOM 0 HB3 LYS A 150 5.064 5.057 -17.954 1.00 10.42 H new ATOM 0 HG2 LYS A 150 4.111 6.277 -16.061 1.00 33.43 H new ATOM 0 HG3 LYS A 150 5.694 6.473 -15.335 1.00 33.43 H new ATOM 0 HD2 LYS A 150 5.006 8.544 -16.474 1.00 62.41 H new ATOM 0 HD3 LYS A 150 6.432 7.869 -17.237 1.00 62.41 H new ATOM 0 HE2 LYS A 150 5.009 6.860 -19.014 1.00 4.32 H new ATOM 0 HE3 LYS A 150 3.578 7.521 -18.249 1.00 4.32 H new ATOM 0 HZ1 LYS A 150 4.326 8.917 -20.063 1.00 70.32 H new ATOM 0 HZ2 LYS A 150 4.460 9.755 -18.592 1.00 70.32 H new ATOM 0 HZ3 LYS A 150 5.847 9.114 -19.334 1.00 70.32 H new ATOM 1818 N ARG A 151 5.890 4.390 -13.868 1.00 71.13 N ATOM 1819 CA ARG A 151 6.623 4.607 -12.613 1.00 5.23 C ATOM 1820 C ARG A 151 6.717 3.318 -11.772 1.00 4.51 C ATOM 1821 O ARG A 151 7.372 3.298 -10.727 1.00 22.23 O ATOM 1822 CB ARG A 151 5.955 5.725 -11.794 1.00 11.33 C ATOM 1823 CG ARG A 151 5.751 7.031 -12.569 1.00 34.11 C ATOM 1824 CD ARG A 151 7.048 7.589 -13.156 1.00 31.54 C ATOM 1825 NE ARG A 151 7.964 8.075 -12.126 1.00 70.42 N ATOM 1826 CZ ARG A 151 8.700 9.149 -12.243 1.00 23.24 C ATOM 1827 NH1 ARG A 151 8.596 9.906 -13.289 1.00 32.30 N ATOM 1828 NH2 ARG A 151 9.515 9.487 -11.296 1.00 34.10 N ATOM 0 H ARG A 151 4.882 4.530 -13.798 1.00 71.13 H new ATOM 0 HA ARG A 151 7.638 4.906 -12.873 1.00 5.23 H new ATOM 0 HB2 ARG A 151 4.987 5.371 -11.438 1.00 11.33 H new ATOM 0 HB3 ARG A 151 6.564 5.929 -10.913 1.00 11.33 H new ATOM 0 HG2 ARG A 151 5.038 6.860 -13.376 1.00 34.11 H new ATOM 0 HG3 ARG A 151 5.310 7.775 -11.906 1.00 34.11 H new ATOM 0 HD2 ARG A 151 7.542 6.813 -13.740 1.00 31.54 H new ATOM 0 HD3 ARG A 151 6.812 8.403 -13.842 1.00 31.54 H new ATOM 0 HE ARG A 151 8.034 7.541 -11.259 1.00 70.42 H new ATOM 0 HH11 ARG A 151 7.936 9.666 -14.029 1.00 32.30 H new ATOM 0 HH12 ARG A 151 9.174 10.742 -13.373 1.00 32.30 H new ATOM 0 HH21 ARG A 151 9.585 8.915 -10.455 1.00 34.10 H new ATOM 0 HH22 ARG A 151 10.088 10.326 -11.391 1.00 34.10 H new ATOM 1842 N TYR A 152 6.057 2.251 -12.231 1.00 12.32 N ATOM 1843 CA TYR A 152 6.109 0.944 -11.560 1.00 11.50 C ATOM 1844 C TYR A 152 7.552 0.415 -11.471 1.00 35.32 C ATOM 1845 O TYR A 152 8.166 0.077 -12.481 1.00 53.30 O ATOM 1846 CB TYR A 152 5.206 -0.060 -12.300 1.00 71.11 C ATOM 1847 CG TYR A 152 5.249 -1.475 -11.744 1.00 23.31 C ATOM 1848 CD1 TYR A 152 5.035 -1.723 -10.391 1.00 3.10 C ATOM 1849 CD2 TYR A 152 5.505 -2.562 -12.576 1.00 24.30 C ATOM 1850 CE1 TYR A 152 5.075 -3.010 -9.886 1.00 74.11 C ATOM 1851 CE2 TYR A 152 5.544 -3.849 -12.078 1.00 25.31 C ATOM 1852 CZ TYR A 152 5.329 -4.070 -10.734 1.00 60.33 C ATOM 1853 OH TYR A 152 5.374 -5.354 -10.238 1.00 2.55 O ATOM 0 H TYR A 152 5.476 2.265 -13.070 1.00 12.32 H new ATOM 0 HA TYR A 152 5.743 1.068 -10.541 1.00 11.50 H new ATOM 0 HB2 TYR A 152 4.178 0.300 -12.264 1.00 71.11 H new ATOM 0 HB3 TYR A 152 5.498 -0.087 -13.350 1.00 71.11 H new ATOM 0 HD1 TYR A 152 4.834 -0.897 -9.725 1.00 3.10 H new ATOM 0 HD2 TYR A 152 5.676 -2.395 -13.629 1.00 24.30 H new ATOM 0 HE1 TYR A 152 4.908 -3.185 -8.833 1.00 74.11 H new ATOM 0 HE2 TYR A 152 5.742 -4.680 -12.739 1.00 25.31 H new ATOM 0 HH TYR A 152 5.447 -5.325 -9.261 1.00 2.55 H new ATOM 1863 N ASN A 153 8.085 0.360 -10.252 1.00 63.03 N ATOM 1864 CA ASN A 153 9.469 -0.072 -10.030 1.00 3.25 C ATOM 1865 C ASN A 153 9.560 -1.584 -9.755 1.00 54.02 C ATOM 1866 O ASN A 153 10.361 -2.290 -10.374 1.00 0.12 O ATOM 1867 CB ASN A 153 10.076 0.713 -8.861 1.00 21.33 C ATOM 1868 CG ASN A 153 11.568 0.466 -8.706 1.00 41.51 C ATOM 1869 OD1 ASN A 153 12.386 1.162 -9.294 1.00 42.32 O ATOM 1870 ND2 ASN A 153 11.935 -0.518 -7.909 1.00 14.41 N ATOM 0 H ASN A 153 7.581 0.609 -9.401 1.00 63.03 H new ATOM 0 HA ASN A 153 10.033 0.131 -10.941 1.00 3.25 H new ATOM 0 HB2 ASN A 153 9.901 1.778 -9.013 1.00 21.33 H new ATOM 0 HB3 ASN A 153 9.567 0.435 -7.938 1.00 21.33 H new ATOM 0 HD21 ASN A 153 12.925 -0.718 -7.768 1.00 14.41 H new ATOM 0 HD22 ASN A 153 11.229 -1.080 -7.433 1.00 14.41 H new ATOM 1877 N GLU A 154 8.745 -2.065 -8.811 1.00 71.42 N ATOM 1878 CA GLU A 154 8.738 -3.487 -8.424 1.00 3.33 C ATOM 1879 C GLU A 154 7.661 -3.761 -7.361 1.00 72.34 C ATOM 1880 O GLU A 154 6.868 -2.881 -7.032 1.00 10.13 O ATOM 1881 CB GLU A 154 10.112 -3.897 -7.870 1.00 23.53 C ATOM 1882 CG GLU A 154 10.433 -3.293 -6.504 1.00 4.10 C ATOM 1883 CD GLU A 154 11.869 -3.538 -6.078 1.00 61.12 C ATOM 1884 OE1 GLU A 154 12.241 -4.710 -5.866 1.00 25.14 O ATOM 1885 OE2 GLU A 154 12.633 -2.558 -5.944 1.00 55.34 O ATOM 0 H GLU A 154 8.077 -1.491 -8.296 1.00 71.42 H new ATOM 0 HA GLU A 154 8.514 -4.074 -9.315 1.00 3.33 H new ATOM 0 HB2 GLU A 154 10.153 -4.984 -7.795 1.00 23.53 H new ATOM 0 HB3 GLU A 154 10.883 -3.597 -8.579 1.00 23.53 H new ATOM 0 HG2 GLU A 154 10.245 -2.220 -6.533 1.00 4.10 H new ATOM 0 HG3 GLU A 154 9.760 -3.715 -5.758 1.00 4.10 H new ATOM 1892 N ALA A 155 7.649 -4.981 -6.823 1.00 1.32 N ATOM 1893 CA ALA A 155 6.739 -5.338 -5.730 1.00 63.32 C ATOM 1894 C ALA A 155 7.436 -6.237 -4.690 1.00 41.42 C ATOM 1895 O ALA A 155 8.459 -6.860 -4.977 1.00 54.43 O ATOM 1896 CB ALA A 155 5.495 -6.015 -6.286 1.00 4.23 C ATOM 0 H ALA A 155 8.259 -5.740 -7.125 1.00 1.32 H new ATOM 0 HA ALA A 155 6.441 -4.422 -5.221 1.00 63.32 H new ATOM 0 HB1 ALA A 155 4.826 -6.276 -5.466 1.00 4.23 H new ATOM 0 HB2 ALA A 155 4.985 -5.335 -6.968 1.00 4.23 H new ATOM 0 HB3 ALA A 155 5.782 -6.920 -6.822 1.00 4.23 H new ATOM 1902 N ARG A 156 6.882 -6.291 -3.476 1.00 54.03 N ATOM 1903 CA ARG A 156 7.487 -7.046 -2.362 1.00 1.14 C ATOM 1904 C ARG A 156 6.419 -7.789 -1.541 1.00 13.33 C ATOM 1905 O ARG A 156 5.651 -7.164 -0.814 1.00 34.44 O ATOM 1906 CB ARG A 156 8.246 -6.086 -1.429 1.00 54.34 C ATOM 1907 CG ARG A 156 9.346 -5.273 -2.110 1.00 40.12 C ATOM 1908 CD ARG A 156 10.560 -6.127 -2.453 1.00 25.23 C ATOM 1909 NE ARG A 156 11.568 -5.366 -3.191 1.00 32.35 N ATOM 1910 CZ ARG A 156 12.738 -5.025 -2.717 1.00 61.34 C ATOM 1911 NH1 ARG A 156 13.090 -5.341 -1.513 1.00 21.14 N ATOM 1912 NH2 ARG A 156 13.558 -4.356 -3.460 1.00 24.11 N ATOM 0 H ARG A 156 6.011 -5.820 -3.233 1.00 54.03 H new ATOM 0 HA ARG A 156 8.171 -7.777 -2.793 1.00 1.14 H new ATOM 0 HB2 ARG A 156 7.531 -5.398 -0.977 1.00 54.34 H new ATOM 0 HB3 ARG A 156 8.689 -6.664 -0.618 1.00 54.34 H new ATOM 0 HG2 ARG A 156 8.952 -4.822 -3.020 1.00 40.12 H new ATOM 0 HG3 ARG A 156 9.651 -4.456 -1.455 1.00 40.12 H new ATOM 0 HD2 ARG A 156 11.000 -6.519 -1.536 1.00 25.23 H new ATOM 0 HD3 ARG A 156 10.245 -6.985 -3.047 1.00 25.23 H new ATOM 0 HE ARG A 156 11.342 -5.081 -4.144 1.00 32.35 H new ATOM 0 HH11 ARG A 156 12.451 -5.865 -0.916 1.00 21.14 H new ATOM 0 HH12 ARG A 156 14.007 -5.066 -1.161 1.00 21.14 H new ATOM 0 HH21 ARG A 156 13.291 -4.097 -4.410 1.00 24.11 H new ATOM 0 HH22 ARG A 156 14.472 -4.087 -3.096 1.00 24.11 H new ATOM 1926 N ARG A 157 6.376 -9.119 -1.631 1.00 65.41 N ATOM 1927 CA ARG A 157 5.368 -9.889 -0.878 1.00 4.41 C ATOM 1928 C ARG A 157 5.848 -10.194 0.557 1.00 23.13 C ATOM 1929 O ARG A 157 6.758 -10.994 0.777 1.00 65.22 O ATOM 1930 CB ARG A 157 4.942 -11.177 -1.630 1.00 40.21 C ATOM 1931 CG ARG A 157 5.934 -12.350 -1.633 1.00 73.52 C ATOM 1932 CD ARG A 157 7.263 -12.014 -2.305 1.00 74.24 C ATOM 1933 NE ARG A 157 7.921 -13.200 -2.856 1.00 43.41 N ATOM 1934 CZ ARG A 157 8.594 -14.077 -2.158 1.00 62.32 C ATOM 1935 NH1 ARG A 157 8.693 -13.978 -0.870 1.00 5.24 N ATOM 1936 NH2 ARG A 157 9.169 -15.068 -2.758 1.00 43.01 N ATOM 0 H ARG A 157 7.008 -9.681 -2.202 1.00 65.41 H new ATOM 0 HA ARG A 157 4.479 -9.264 -0.797 1.00 4.41 H new ATOM 0 HB2 ARG A 157 4.006 -11.528 -1.195 1.00 40.21 H new ATOM 0 HB3 ARG A 157 4.732 -10.910 -2.666 1.00 40.21 H new ATOM 0 HG2 ARG A 157 6.122 -12.660 -0.605 1.00 73.52 H new ATOM 0 HG3 ARG A 157 5.481 -13.199 -2.144 1.00 73.52 H new ATOM 0 HD2 ARG A 157 7.092 -11.292 -3.103 1.00 74.24 H new ATOM 0 HD3 ARG A 157 7.924 -11.538 -1.581 1.00 74.24 H new ATOM 0 HE ARG A 157 7.849 -13.354 -3.862 1.00 43.41 H new ATOM 0 HH11 ARG A 157 8.241 -13.205 -0.382 1.00 5.24 H new ATOM 0 HH12 ARG A 157 9.223 -14.673 -0.344 1.00 5.24 H new ATOM 0 HH21 ARG A 157 9.096 -15.162 -3.771 1.00 43.01 H new ATOM 0 HH22 ARG A 157 9.695 -15.755 -2.218 1.00 43.01 H new ATOM 1950 N VAL A 158 5.239 -9.515 1.531 1.00 2.52 N ATOM 1951 CA VAL A 158 5.624 -9.647 2.945 1.00 64.11 C ATOM 1952 C VAL A 158 4.830 -10.750 3.670 1.00 53.34 C ATOM 1953 O VAL A 158 5.309 -11.332 4.645 1.00 33.43 O ATOM 1954 CB VAL A 158 5.435 -8.303 3.696 1.00 50.55 C ATOM 1955 CG1 VAL A 158 6.358 -7.226 3.125 1.00 12.23 C ATOM 1956 CG2 VAL A 158 3.975 -7.849 3.633 1.00 44.42 C ATOM 0 H VAL A 158 4.472 -8.863 1.369 1.00 2.52 H new ATOM 0 HA VAL A 158 6.677 -9.928 2.952 1.00 64.11 H new ATOM 0 HB VAL A 158 5.701 -8.460 4.741 1.00 50.55 H new ATOM 0 HG11 VAL A 158 6.207 -6.293 3.668 1.00 12.23 H new ATOM 0 HG12 VAL A 158 7.396 -7.543 3.230 1.00 12.23 H new ATOM 0 HG13 VAL A 158 6.130 -7.073 2.070 1.00 12.23 H new ATOM 0 HG21 VAL A 158 3.864 -6.905 4.166 1.00 44.42 H new ATOM 0 HG22 VAL A 158 3.680 -7.715 2.592 1.00 44.42 H new ATOM 0 HG23 VAL A 158 3.339 -8.603 4.096 1.00 44.42 H new ATOM 1966 N LEU A 159 3.617 -11.026 3.196 1.00 15.41 N ATOM 1967 CA LEU A 159 2.756 -12.043 3.809 1.00 52.11 C ATOM 1968 C LEU A 159 3.247 -13.470 3.506 1.00 22.32 C ATOM 1969 O LEU A 159 3.152 -13.943 2.371 1.00 53.54 O ATOM 1970 CB LEU A 159 1.307 -11.874 3.320 1.00 15.33 C ATOM 1971 CG LEU A 159 0.632 -10.545 3.699 1.00 11.32 C ATOM 1972 CD1 LEU A 159 -0.782 -10.471 3.127 1.00 2.24 C ATOM 1973 CD2 LEU A 159 0.613 -10.363 5.217 1.00 73.22 C ATOM 0 H LEU A 159 3.205 -10.560 2.388 1.00 15.41 H new ATOM 0 HA LEU A 159 2.797 -11.900 4.889 1.00 52.11 H new ATOM 0 HB2 LEU A 159 1.294 -11.971 2.234 1.00 15.33 H new ATOM 0 HB3 LEU A 159 0.709 -12.693 3.720 1.00 15.33 H new ATOM 0 HG LEU A 159 1.215 -9.732 3.265 1.00 11.32 H new ATOM 0 HD11 LEU A 159 -1.239 -9.522 3.408 1.00 2.24 H new ATOM 0 HD12 LEU A 159 -0.739 -10.545 2.040 1.00 2.24 H new ATOM 0 HD13 LEU A 159 -1.378 -11.293 3.524 1.00 2.24 H new ATOM 0 HD21 LEU A 159 0.131 -9.417 5.464 1.00 73.22 H new ATOM 0 HD22 LEU A 159 0.059 -11.183 5.675 1.00 73.22 H new ATOM 0 HD23 LEU A 159 1.635 -10.360 5.596 1.00 73.22 H new