USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 486 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 230 THR OG1 : rot 174:sc= 0.025 USER MOD Set 1.2: A 233 GLN : amide:sc= -0.364 K(o=-0.34,f=1.9) USER MOD Set 2.1: A 222 ASN : amide:sc= -1.63! C(o=-4.3!,f=-5.1!) USER MOD Set 2.2: A 241 ASN : amide:sc= -2.7! K(o=-4.3!,f=-4.9) USER MOD Single : A 158 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-4.4!) USER MOD Single : A 175 TYR OH : rot 180:sc= 0 USER MOD Single : A 180 THR OG1 : rot 45:sc= 0.0117 USER MOD Single : A 181 SER OG : rot 70:sc= 1.22 USER MOD Single : A 191 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 GLN : amide:sc= -0.0811 X(o=-0.081,f=-0.56) USER MOD Single : A 198 SER OG : rot 180:sc= 0 USER MOD Single : A 208 SER OG : rot 68:sc= 0.879 USER MOD Single : A 209 THR OG1 : rot 150:sc= -0.792 USER MOD Single : A 215 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 235 THR OG1 : rot 68:sc= 1.31 USER MOD Single : A 237 MET CE :methyl -129:sc= -1.62 (180deg=-4.48!) USER MOD Single : A 238 MET CE :methyl -128:sc= -0.441 (180deg=-1.85) USER MOD Single : A 242 SER OG : rot 17:sc= 0.571 USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 ASN : amide:sc= -0.686 K(o=-0.69,f=-3.9!) USER MOD Single : A 248 THR OG1 : rot 180:sc= 0 USER MOD Single : A 250 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 158 -10.234 -6.770 -2.856 1.00 24.40 N ATOM 29 CA HIS A 158 -9.195 -6.209 -3.666 1.00 42.32 C ATOM 30 C HIS A 158 -9.693 -5.081 -4.526 1.00 15.02 C ATOM 31 O HIS A 158 -10.704 -5.209 -5.211 1.00 54.10 O ATOM 32 CB HIS A 158 -8.573 -7.299 -4.541 1.00 61.35 C ATOM 33 CG HIS A 158 -7.663 -8.240 -3.814 1.00 24.01 C ATOM 34 ND1 HIS A 158 -8.043 -9.044 -2.755 1.00 53.45 N ATOM 35 CD2 HIS A 158 -6.355 -8.470 -3.986 1.00 60.22 C ATOM 36 CE1 HIS A 158 -6.981 -9.702 -2.330 1.00 73.40 C ATOM 37 NE2 HIS A 158 -5.963 -9.381 -3.062 1.00 43.10 N ATOM 0 HA HIS A 158 -8.440 -5.798 -2.995 1.00 42.32 H new ATOM 0 HB2 HIS A 158 -9.374 -7.875 -5.005 1.00 61.35 H new ATOM 0 HB3 HIS A 158 -8.014 -6.824 -5.347 1.00 61.35 H new ATOM 0 HD2 HIS A 158 -5.723 -8.010 -4.731 1.00 60.22 H new ATOM 0 HE1 HIS A 158 -6.964 -10.397 -1.504 1.00 73.40 H new ATOM 0 HE2 HIS A 158 -5.019 -9.753 -2.960 1.00 43.10 H new ATOM 46 N ARG A 159 -8.991 -3.981 -4.470 1.00 32.43 N ATOM 47 CA ARG A 159 -9.255 -2.855 -5.330 1.00 61.22 C ATOM 48 C ARG A 159 -7.936 -2.427 -5.929 1.00 30.22 C ATOM 49 O ARG A 159 -6.899 -2.492 -5.260 1.00 71.42 O ATOM 50 CB ARG A 159 -9.862 -1.678 -4.554 1.00 12.22 C ATOM 51 CG ARG A 159 -10.272 -0.505 -5.441 1.00 5.50 C ATOM 52 CD ARG A 159 -11.482 -0.848 -6.303 1.00 64.13 C ATOM 53 NE ARG A 159 -11.739 0.178 -7.321 1.00 41.24 N ATOM 54 CZ ARG A 159 -12.928 0.461 -7.862 1.00 14.33 C ATOM 55 NH1 ARG A 159 -14.013 -0.208 -7.493 1.00 13.30 N ATOM 56 NH2 ARG A 159 -13.020 1.414 -8.785 1.00 55.04 N ATOM 0 H ARG A 159 -8.215 -3.838 -3.823 1.00 32.43 H new ATOM 0 HA ARG A 159 -9.973 -3.147 -6.097 1.00 61.22 H new ATOM 0 HB2 ARG A 159 -10.735 -2.029 -4.004 1.00 12.22 H new ATOM 0 HB3 ARG A 159 -9.139 -1.329 -3.816 1.00 12.22 H new ATOM 0 HG2 ARG A 159 -10.502 0.360 -4.818 1.00 5.50 H new ATOM 0 HG3 ARG A 159 -9.436 -0.223 -6.082 1.00 5.50 H new ATOM 0 HD2 ARG A 159 -11.320 -1.810 -6.790 1.00 64.13 H new ATOM 0 HD3 ARG A 159 -12.361 -0.957 -5.668 1.00 64.13 H new ATOM 0 HE ARG A 159 -10.940 0.723 -7.644 1.00 41.24 H new ATOM 0 HH11 ARG A 159 -13.944 -0.945 -6.791 1.00 13.30 H new ATOM 0 HH12 ARG A 159 -14.916 0.015 -7.911 1.00 13.30 H new ATOM 0 HH21 ARG A 159 -12.186 1.924 -9.076 1.00 55.04 H new ATOM 0 HH22 ARG A 159 -13.924 1.635 -9.202 1.00 55.04 H new ATOM 68 N ARG A 160 -7.961 -2.013 -7.157 1.00 42.44 N ATOM 69 CA ARG A 160 -6.770 -1.602 -7.846 1.00 3.33 C ATOM 70 C ARG A 160 -6.901 -0.145 -8.288 1.00 75.31 C ATOM 71 O ARG A 160 -7.730 0.194 -9.136 1.00 64.05 O ATOM 72 CB ARG A 160 -6.518 -2.548 -9.025 1.00 63.43 C ATOM 73 CG ARG A 160 -5.274 -2.259 -9.826 1.00 2.53 C ATOM 74 CD ARG A 160 -5.031 -3.359 -10.841 1.00 3.33 C ATOM 75 NE ARG A 160 -3.824 -3.127 -11.636 1.00 60.04 N ATOM 76 CZ ARG A 160 -2.719 -3.885 -11.568 1.00 64.41 C ATOM 77 NH1 ARG A 160 -2.674 -4.912 -10.730 1.00 2.31 N ATOM 78 NH2 ARG A 160 -1.679 -3.628 -12.352 1.00 4.53 N ATOM 0 H ARG A 160 -8.812 -1.949 -7.716 1.00 42.44 H new ATOM 0 HA ARG A 160 -5.908 -1.659 -7.181 1.00 3.33 H new ATOM 0 HB2 ARG A 160 -6.457 -3.568 -8.645 1.00 63.43 H new ATOM 0 HB3 ARG A 160 -7.378 -2.507 -9.693 1.00 63.43 H new ATOM 0 HG2 ARG A 160 -5.377 -1.301 -10.336 1.00 2.53 H new ATOM 0 HG3 ARG A 160 -4.416 -2.175 -9.159 1.00 2.53 H new ATOM 0 HD2 ARG A 160 -4.944 -4.314 -10.324 1.00 3.33 H new ATOM 0 HD3 ARG A 160 -5.892 -3.433 -11.505 1.00 3.33 H new ATOM 0 HE ARG A 160 -3.823 -2.339 -12.283 1.00 60.04 H new ATOM 0 HH11 ARG A 160 -3.478 -5.124 -10.139 1.00 2.31 H new ATOM 0 HH12 ARG A 160 -1.835 -5.490 -10.676 1.00 2.31 H new ATOM 0 HH21 ARG A 160 -1.717 -2.850 -13.011 1.00 4.53 H new ATOM 0 HH22 ARG A 160 -0.842 -4.208 -12.295 1.00 4.53 H new ATOM 90 N VAL A 161 -6.094 0.709 -7.704 1.00 31.22 N ATOM 91 CA VAL A 161 -6.160 2.141 -7.958 1.00 13.23 C ATOM 92 C VAL A 161 -4.871 2.687 -8.541 1.00 22.54 C ATOM 93 O VAL A 161 -3.784 2.275 -8.146 1.00 0.54 O ATOM 94 CB VAL A 161 -6.548 2.945 -6.685 1.00 2.22 C ATOM 95 CG1 VAL A 161 -7.961 2.619 -6.275 1.00 65.34 C ATOM 96 CG2 VAL A 161 -5.591 2.644 -5.531 1.00 51.41 C ATOM 0 H VAL A 161 -5.371 0.437 -7.038 1.00 31.22 H new ATOM 0 HA VAL A 161 -6.948 2.271 -8.700 1.00 13.23 H new ATOM 0 HB VAL A 161 -6.477 4.006 -6.922 1.00 2.22 H new ATOM 0 HG11 VAL A 161 -8.221 3.188 -5.382 1.00 65.34 H new ATOM 0 HG12 VAL A 161 -8.644 2.880 -7.084 1.00 65.34 H new ATOM 0 HG13 VAL A 161 -8.041 1.553 -6.062 1.00 65.34 H new ATOM 0 HG21 VAL A 161 -5.886 3.220 -4.654 1.00 51.41 H new ATOM 0 HG22 VAL A 161 -5.628 1.580 -5.296 1.00 51.41 H new ATOM 0 HG23 VAL A 161 -4.576 2.917 -5.819 1.00 51.41 H new ATOM 102 N ARG A 162 -5.002 3.583 -9.512 1.00 44.04 N ATOM 103 CA ARG A 162 -3.851 4.226 -10.120 1.00 61.34 C ATOM 104 C ARG A 162 -3.721 5.604 -9.485 1.00 71.22 C ATOM 105 O ARG A 162 -4.593 6.462 -9.678 1.00 35.20 O ATOM 106 CB ARG A 162 -3.997 4.440 -11.661 1.00 62.32 C ATOM 107 CG ARG A 162 -4.450 3.263 -12.542 1.00 34.11 C ATOM 108 CD ARG A 162 -5.902 2.910 -12.312 1.00 15.42 C ATOM 109 NE ARG A 162 -6.374 1.860 -13.205 1.00 35.10 N ATOM 110 CZ ARG A 162 -7.533 1.217 -13.053 1.00 41.34 C ATOM 111 NH1 ARG A 162 -8.319 1.491 -12.019 1.00 51.31 N ATOM 112 NH2 ARG A 162 -7.901 0.311 -13.931 1.00 73.45 N ATOM 0 H ARG A 162 -5.900 3.880 -9.894 1.00 44.04 H new ATOM 0 HA ARG A 162 -2.988 3.580 -9.958 1.00 61.34 H new ATOM 0 HB2 ARG A 162 -4.704 5.255 -11.814 1.00 62.32 H new ATOM 0 HB3 ARG A 162 -3.032 4.780 -12.038 1.00 62.32 H new ATOM 0 HG2 ARG A 162 -4.300 3.517 -13.591 1.00 34.11 H new ATOM 0 HG3 ARG A 162 -3.828 2.393 -12.333 1.00 34.11 H new ATOM 0 HD2 ARG A 162 -6.034 2.589 -11.279 1.00 15.42 H new ATOM 0 HD3 ARG A 162 -6.514 3.801 -12.450 1.00 15.42 H new ATOM 0 HE ARG A 162 -5.782 1.601 -13.994 1.00 35.10 H new ATOM 0 HH11 ARG A 162 -8.038 2.195 -11.337 1.00 51.31 H new ATOM 0 HH12 ARG A 162 -9.204 0.997 -11.906 1.00 51.31 H new ATOM 0 HH21 ARG A 162 -7.301 0.100 -14.728 1.00 73.45 H new ATOM 0 HH22 ARG A 162 -8.787 -0.181 -13.815 1.00 73.45 H new ATOM 124 N LEU A 163 -2.686 5.816 -8.739 1.00 5.42 N ATOM 125 CA LEU A 163 -2.475 7.070 -8.057 1.00 24.41 C ATOM 126 C LEU A 163 -1.568 7.952 -8.893 1.00 54.12 C ATOM 127 O LEU A 163 -0.538 7.487 -9.367 1.00 41.24 O ATOM 128 CB LEU A 163 -1.824 6.821 -6.675 1.00 64.43 C ATOM 129 CG LEU A 163 -2.488 5.746 -5.817 1.00 30.12 C ATOM 130 CD1 LEU A 163 -1.864 5.701 -4.466 1.00 74.00 C ATOM 131 CD2 LEU A 163 -3.994 5.928 -5.723 1.00 33.20 C ATOM 0 H LEU A 163 -1.953 5.125 -8.579 1.00 5.42 H new ATOM 0 HA LEU A 163 -3.436 7.564 -7.913 1.00 24.41 H new ATOM 0 HB2 LEU A 163 -0.781 6.545 -6.829 1.00 64.43 H new ATOM 0 HB3 LEU A 163 -1.826 7.758 -6.118 1.00 64.43 H new ATOM 0 HG LEU A 163 -2.323 4.788 -6.309 1.00 30.12 H new ATOM 0 HD11 LEU A 163 -2.348 4.930 -3.867 1.00 74.00 H new ATOM 0 HD12 LEU A 163 -0.803 5.472 -4.563 1.00 74.00 H new ATOM 0 HD13 LEU A 163 -1.983 6.668 -3.978 1.00 74.00 H new ATOM 0 HD21 LEU A 163 -4.418 5.139 -5.102 1.00 33.20 H new ATOM 0 HD22 LEU A 163 -4.216 6.898 -5.278 1.00 33.20 H new ATOM 0 HD23 LEU A 163 -4.430 5.878 -6.721 1.00 33.20 H new ATOM 139 N LEU A 164 -1.981 9.200 -9.097 1.00 74.14 N ATOM 140 CA LEU A 164 -1.208 10.214 -9.809 1.00 1.03 C ATOM 141 C LEU A 164 -1.315 10.015 -11.317 1.00 64.51 C ATOM 142 O LEU A 164 -0.568 9.256 -11.936 1.00 24.32 O ATOM 143 CB LEU A 164 0.272 10.299 -9.278 1.00 44.05 C ATOM 144 CG LEU A 164 1.157 11.515 -9.670 1.00 71.33 C ATOM 145 CD1 LEU A 164 2.406 11.534 -8.804 1.00 42.44 C ATOM 146 CD2 LEU A 164 1.578 11.478 -11.132 1.00 63.21 C ATOM 0 H LEU A 164 -2.883 9.542 -8.765 1.00 74.14 H new ATOM 0 HA LEU A 164 -1.640 11.193 -9.601 1.00 1.03 H new ATOM 0 HB2 LEU A 164 0.231 10.262 -8.189 1.00 44.05 H new ATOM 0 HB3 LEU A 164 0.790 9.398 -9.608 1.00 44.05 H new ATOM 0 HG LEU A 164 0.559 12.413 -9.513 1.00 71.33 H new ATOM 0 HD11 LEU A 164 3.027 12.387 -9.079 1.00 42.44 H new ATOM 0 HD12 LEU A 164 2.120 11.616 -7.755 1.00 42.44 H new ATOM 0 HD13 LEU A 164 2.968 10.612 -8.956 1.00 42.44 H new ATOM 0 HD21 LEU A 164 2.194 12.349 -11.355 1.00 63.21 H new ATOM 0 HD22 LEU A 164 2.150 10.570 -11.323 1.00 63.21 H new ATOM 0 HD23 LEU A 164 0.692 11.489 -11.766 1.00 63.21 H new ATOM 260 N LEU A 172 2.313 10.882 -3.302 1.00 22.34 N ATOM 261 CA LEU A 172 1.067 10.164 -3.516 1.00 51.33 C ATOM 262 C LEU A 172 0.074 10.399 -2.385 1.00 14.42 C ATOM 263 O LEU A 172 -1.147 10.310 -2.578 1.00 61.31 O ATOM 264 CB LEU A 172 1.279 8.676 -3.786 1.00 13.22 C ATOM 265 CG LEU A 172 2.053 8.286 -5.071 1.00 12.22 C ATOM 266 CD1 LEU A 172 1.421 8.887 -6.302 1.00 21.34 C ATOM 267 CD2 LEU A 172 3.543 8.617 -4.988 1.00 12.25 C ATOM 0 HA LEU A 172 0.629 10.579 -4.424 1.00 51.33 H new ATOM 0 HB2 LEU A 172 1.808 8.251 -2.933 1.00 13.22 H new ATOM 0 HB3 LEU A 172 0.300 8.198 -3.825 1.00 13.22 H new ATOM 0 HG LEU A 172 1.982 7.202 -5.155 1.00 12.22 H new ATOM 0 HD11 LEU A 172 1.990 8.593 -7.184 1.00 21.34 H new ATOM 0 HD12 LEU A 172 0.396 8.530 -6.396 1.00 21.34 H new ATOM 0 HD13 LEU A 172 1.420 9.974 -6.217 1.00 21.34 H new ATOM 0 HD21 LEU A 172 4.033 8.322 -5.916 1.00 12.25 H new ATOM 0 HD22 LEU A 172 3.670 9.689 -4.836 1.00 12.25 H new ATOM 0 HD23 LEU A 172 3.990 8.077 -4.153 1.00 12.25 H new ATOM 275 N GLY A 173 0.594 10.687 -1.219 1.00 21.03 N ATOM 276 CA GLY A 173 -0.237 11.090 -0.129 1.00 21.05 C ATOM 277 C GLY A 173 -0.694 9.966 0.738 1.00 32.03 C ATOM 278 O GLY A 173 -1.847 9.950 1.182 1.00 73.25 O ATOM 0 H GLY A 173 1.591 10.648 -1.007 1.00 21.03 H new ATOM 0 HA2 GLY A 173 0.309 11.808 0.483 1.00 21.05 H new ATOM 0 HA3 GLY A 173 -1.111 11.608 -0.525 1.00 21.05 H new ATOM 282 N PHE A 174 0.165 9.023 0.980 1.00 63.21 N ATOM 283 CA PHE A 174 -0.154 7.967 1.889 1.00 73.13 C ATOM 284 C PHE A 174 1.112 7.436 2.494 1.00 15.32 C ATOM 285 O PHE A 174 2.178 7.543 1.905 1.00 23.12 O ATOM 286 CB PHE A 174 -0.986 6.828 1.215 1.00 45.30 C ATOM 287 CG PHE A 174 -0.303 6.048 0.105 1.00 22.11 C ATOM 288 CD1 PHE A 174 -0.144 6.586 -1.164 1.00 33.53 C ATOM 289 CD2 PHE A 174 0.159 4.767 0.337 1.00 71.14 C ATOM 290 CE1 PHE A 174 0.468 5.860 -2.171 1.00 55.51 C ATOM 291 CE2 PHE A 174 0.771 4.042 -0.664 1.00 12.44 C ATOM 292 CZ PHE A 174 0.927 4.590 -1.917 1.00 73.41 C ATOM 0 H PHE A 174 1.093 8.964 0.560 1.00 63.21 H new ATOM 0 HA PHE A 174 -0.788 8.375 2.676 1.00 73.13 H new ATOM 0 HB2 PHE A 174 -1.288 6.123 1.990 1.00 45.30 H new ATOM 0 HB3 PHE A 174 -1.898 7.267 0.811 1.00 45.30 H new ATOM 0 HD1 PHE A 174 -0.502 7.584 -1.369 1.00 33.53 H new ATOM 0 HD2 PHE A 174 0.039 4.327 1.316 1.00 71.14 H new ATOM 0 HE1 PHE A 174 0.585 6.291 -3.154 1.00 55.51 H new ATOM 0 HE2 PHE A 174 1.128 3.043 -0.464 1.00 12.44 H new ATOM 0 HZ PHE A 174 1.409 4.023 -2.699 1.00 73.41 H new ATOM 302 N TYR A 175 0.992 6.901 3.653 1.00 51.23 N ATOM 303 CA TYR A 175 2.083 6.314 4.352 1.00 4.35 C ATOM 304 C TYR A 175 1.850 4.863 4.489 1.00 10.42 C ATOM 305 O TYR A 175 0.719 4.425 4.727 1.00 30.02 O ATOM 306 CB TYR A 175 2.291 6.947 5.732 1.00 55.44 C ATOM 307 CG TYR A 175 2.862 8.340 5.694 1.00 71.13 C ATOM 308 CD1 TYR A 175 2.072 9.444 5.425 1.00 63.43 C ATOM 309 CD2 TYR A 175 4.212 8.544 5.922 1.00 65.25 C ATOM 310 CE1 TYR A 175 2.621 10.712 5.388 1.00 24.14 C ATOM 311 CE2 TYR A 175 4.765 9.798 5.885 1.00 52.14 C ATOM 312 CZ TYR A 175 3.972 10.879 5.618 1.00 70.42 C ATOM 313 OH TYR A 175 4.533 12.142 5.576 1.00 42.43 O ATOM 0 H TYR A 175 0.108 6.856 4.159 1.00 51.23 H new ATOM 0 HA TYR A 175 2.990 6.495 3.775 1.00 4.35 H new ATOM 0 HB2 TYR A 175 1.335 6.973 6.255 1.00 55.44 H new ATOM 0 HB3 TYR A 175 2.956 6.310 6.315 1.00 55.44 H new ATOM 0 HD1 TYR A 175 1.016 9.313 5.242 1.00 63.43 H new ATOM 0 HD2 TYR A 175 4.845 7.695 6.134 1.00 65.25 H new ATOM 0 HE1 TYR A 175 1.996 11.568 5.180 1.00 24.14 H new ATOM 0 HE2 TYR A 175 5.821 9.931 6.066 1.00 52.14 H new ATOM 0 HH TYR A 175 5.493 12.080 5.761 1.00 42.43 H new ATOM 323 N ILE A 176 2.881 4.124 4.332 1.00 14.32 N ATOM 324 CA ILE A 176 2.821 2.713 4.437 1.00 11.03 C ATOM 325 C ILE A 176 3.623 2.253 5.627 1.00 32.15 C ATOM 326 O ILE A 176 4.367 3.030 6.234 1.00 55.21 O ATOM 327 CB ILE A 176 3.344 2.029 3.166 1.00 73.43 C ATOM 328 CG1 ILE A 176 4.770 2.501 2.856 1.00 51.52 C ATOM 329 CG2 ILE A 176 2.400 2.281 1.995 1.00 20.33 C ATOM 330 CD1 ILE A 176 5.382 1.850 1.660 1.00 10.04 C ATOM 0 H ILE A 176 3.811 4.488 4.123 1.00 14.32 H new ATOM 0 HA ILE A 176 1.776 2.433 4.565 1.00 11.03 H new ATOM 0 HB ILE A 176 3.379 0.952 3.332 1.00 73.43 H new ATOM 0 HG12 ILE A 176 4.759 3.580 2.703 1.00 51.52 H new ATOM 0 HG13 ILE A 176 5.401 2.309 3.724 1.00 51.52 H new ATOM 0 HG21 ILE A 176 2.787 1.789 1.103 1.00 20.33 H new ATOM 0 HG22 ILE A 176 1.413 1.882 2.231 1.00 20.33 H new ATOM 0 HG23 ILE A 176 2.324 3.353 1.813 1.00 20.33 H new ATOM 0 HD11 ILE A 176 6.389 2.239 1.510 1.00 10.04 H new ATOM 0 HD12 ILE A 176 5.428 0.772 1.816 1.00 10.04 H new ATOM 0 HD13 ILE A 176 4.776 2.063 0.780 1.00 10.04 H new ATOM 337 N ARG A 177 3.470 1.027 5.954 1.00 41.24 N ATOM 338 CA ARG A 177 4.142 0.424 7.068 1.00 12.30 C ATOM 339 C ARG A 177 4.277 -1.041 6.818 1.00 12.53 C ATOM 340 O ARG A 177 3.497 -1.613 6.073 1.00 52.42 O ATOM 341 CB ARG A 177 3.371 0.636 8.372 1.00 33.31 C ATOM 342 CG ARG A 177 1.911 0.226 8.293 1.00 13.45 C ATOM 343 CD ARG A 177 1.282 0.053 9.663 1.00 32.03 C ATOM 344 NE ARG A 177 1.263 1.288 10.454 1.00 73.14 N ATOM 345 CZ ARG A 177 0.366 1.567 11.414 1.00 13.02 C ATOM 346 NH1 ARG A 177 -0.543 0.655 11.771 1.00 5.02 N ATOM 347 NH2 ARG A 177 0.399 2.740 12.030 1.00 11.33 N ATOM 0 H ARG A 177 2.859 0.386 5.448 1.00 41.24 H new ATOM 0 HA ARG A 177 5.121 0.893 7.170 1.00 12.30 H new ATOM 0 HB2 ARG A 177 3.856 0.069 9.166 1.00 33.31 H new ATOM 0 HB3 ARG A 177 3.429 1.688 8.651 1.00 33.31 H new ATOM 0 HG2 ARG A 177 1.355 0.979 7.734 1.00 13.45 H new ATOM 0 HG3 ARG A 177 1.829 -0.709 7.738 1.00 13.45 H new ATOM 0 HD2 ARG A 177 0.261 -0.309 9.543 1.00 32.03 H new ATOM 0 HD3 ARG A 177 1.829 -0.713 10.212 1.00 32.03 H new ATOM 0 HE ARG A 177 1.982 1.985 10.261 1.00 73.14 H new ATOM 0 HH11 ARG A 177 -0.557 -0.257 11.314 1.00 5.02 H new ATOM 0 HH12 ARG A 177 -1.223 0.871 12.500 1.00 5.02 H new ATOM 0 HH21 ARG A 177 1.105 3.430 11.775 1.00 11.33 H new ATOM 0 HH22 ARG A 177 -0.282 2.952 12.759 1.00 11.33 H new ATOM 359 N ASP A 178 5.245 -1.639 7.415 1.00 63.41 N ATOM 360 CA ASP A 178 5.443 -3.055 7.272 1.00 10.40 C ATOM 361 C ASP A 178 4.914 -3.740 8.498 1.00 62.23 C ATOM 362 O ASP A 178 4.791 -3.128 9.566 1.00 61.25 O ATOM 363 CB ASP A 178 6.926 -3.406 7.083 1.00 74.41 C ATOM 364 CG ASP A 178 7.774 -3.065 8.287 1.00 51.45 C ATOM 365 OD1 ASP A 178 8.126 -1.886 8.463 1.00 51.12 O ATOM 366 OD2 ASP A 178 8.089 -3.972 9.081 1.00 25.55 O ATOM 0 H ASP A 178 5.925 -1.172 8.016 1.00 63.41 H new ATOM 0 HA ASP A 178 4.910 -3.392 6.383 1.00 10.40 H new ATOM 0 HB2 ASP A 178 7.017 -4.471 6.872 1.00 74.41 H new ATOM 0 HB3 ASP A 178 7.311 -2.875 6.213 1.00 74.41 H new ATOM 371 N GLY A 179 4.558 -4.955 8.344 1.00 65.13 N ATOM 372 CA GLY A 179 4.098 -5.742 9.422 1.00 10.25 C ATOM 373 C GLY A 179 4.103 -7.165 9.024 1.00 61.21 C ATOM 374 O GLY A 179 4.665 -7.511 7.982 1.00 2.53 O ATOM 0 H GLY A 179 4.578 -5.442 7.448 1.00 65.13 H new ATOM 0 HA2 GLY A 179 4.736 -5.594 10.294 1.00 10.25 H new ATOM 0 HA3 GLY A 179 3.092 -5.436 9.708 1.00 10.25 H new ATOM 378 N THR A 180 3.506 -7.987 9.803 1.00 1.33 N ATOM 379 CA THR A 180 3.427 -9.361 9.487 1.00 5.41 C ATOM 380 C THR A 180 2.083 -9.751 8.900 1.00 35.31 C ATOM 381 O THR A 180 1.014 -9.528 9.499 1.00 61.12 O ATOM 382 CB THR A 180 3.756 -10.239 10.680 1.00 24.41 C ATOM 383 OG1 THR A 180 3.278 -9.663 11.905 1.00 43.01 O ATOM 384 CG2 THR A 180 5.226 -10.623 10.761 1.00 1.11 C ATOM 0 H THR A 180 3.057 -7.724 10.680 1.00 1.33 H new ATOM 0 HA THR A 180 4.182 -9.530 8.719 1.00 5.41 H new ATOM 0 HB THR A 180 3.220 -11.175 10.525 1.00 24.41 H new ATOM 0 HG1 THR A 180 2.362 -9.339 11.778 1.00 43.01 H new ATOM 0 HG21 THR A 180 5.390 -11.250 11.637 1.00 1.11 H new ATOM 0 HG22 THR A 180 5.509 -11.172 9.863 1.00 1.11 H new ATOM 0 HG23 THR A 180 5.834 -9.722 10.841 1.00 1.11 H new ATOM 390 N SER A 181 2.146 -10.318 7.742 1.00 23.05 N ATOM 391 CA SER A 181 1.007 -10.816 7.063 1.00 10.00 C ATOM 392 C SER A 181 1.076 -12.325 7.159 1.00 33.43 C ATOM 393 O SER A 181 2.065 -12.927 6.737 1.00 24.10 O ATOM 394 CB SER A 181 1.059 -10.379 5.588 1.00 33.42 C ATOM 395 OG SER A 181 -0.124 -10.748 4.888 1.00 13.01 O ATOM 0 H SER A 181 3.019 -10.449 7.231 1.00 23.05 H new ATOM 0 HA SER A 181 0.082 -10.438 7.498 1.00 10.00 H new ATOM 0 HB2 SER A 181 1.192 -9.299 5.533 1.00 33.42 H new ATOM 0 HB3 SER A 181 1.924 -10.832 5.104 1.00 33.42 H new ATOM 0 HG SER A 181 -0.875 -10.205 5.206 1.00 13.01 H new ATOM 517 N LYS A 191 3.678 -16.293 8.234 1.00 31.10 N ATOM 518 CA LYS A 191 3.732 -14.927 8.577 1.00 22.11 C ATOM 519 C LYS A 191 4.984 -14.350 7.968 1.00 35.34 C ATOM 520 O LYS A 191 6.097 -14.821 8.235 1.00 41.31 O ATOM 521 CB LYS A 191 3.730 -14.771 10.080 1.00 43.43 C ATOM 522 CG LYS A 191 3.363 -13.422 10.542 1.00 33.33 C ATOM 523 CD LYS A 191 3.305 -13.333 12.064 1.00 5.14 C ATOM 524 CE LYS A 191 2.195 -14.197 12.651 1.00 32.22 C ATOM 525 NZ LYS A 191 2.135 -14.086 14.121 1.00 73.13 N ATOM 0 HA LYS A 191 2.861 -14.395 8.195 1.00 22.11 H new ATOM 0 HB2 LYS A 191 3.034 -15.492 10.509 1.00 43.43 H new ATOM 0 HB3 LYS A 191 4.721 -15.018 10.462 1.00 43.43 H new ATOM 0 HG2 LYS A 191 4.087 -12.700 10.164 1.00 33.33 H new ATOM 0 HG3 LYS A 191 2.393 -13.148 10.126 1.00 33.33 H new ATOM 0 HD2 LYS A 191 4.263 -13.643 12.481 1.00 5.14 H new ATOM 0 HD3 LYS A 191 3.150 -12.295 12.360 1.00 5.14 H new ATOM 0 HE2 LYS A 191 1.237 -13.898 12.224 1.00 32.22 H new ATOM 0 HE3 LYS A 191 2.358 -15.238 12.371 1.00 32.22 H new ATOM 0 HZ1 LYS A 191 1.368 -14.688 14.484 1.00 73.13 H new ATOM 0 HZ2 LYS A 191 3.040 -14.395 14.530 1.00 73.13 H new ATOM 0 HZ3 LYS A 191 1.954 -13.097 14.387 1.00 73.13 H new ATOM 539 N GLN A 192 4.807 -13.371 7.157 1.00 33.40 N ATOM 540 CA GLN A 192 5.889 -12.778 6.405 1.00 53.15 C ATOM 541 C GLN A 192 5.682 -11.284 6.355 1.00 33.22 C ATOM 542 O GLN A 192 4.586 -10.820 6.693 1.00 30.11 O ATOM 543 CB GLN A 192 5.897 -13.367 4.983 1.00 30.14 C ATOM 544 CG GLN A 192 4.670 -13.044 4.145 1.00 2.14 C ATOM 545 CD GLN A 192 4.759 -13.634 2.755 1.00 24.24 C ATOM 546 OE1 GLN A 192 5.366 -14.685 2.543 1.00 22.43 O ATOM 547 NE2 GLN A 192 4.179 -12.959 1.798 1.00 60.34 N ATOM 0 H GLN A 192 3.898 -12.942 6.984 1.00 33.40 H new ATOM 0 HA GLN A 192 6.847 -12.992 6.880 1.00 53.15 H new ATOM 0 HB2 GLN A 192 6.781 -13.002 4.460 1.00 30.14 H new ATOM 0 HB3 GLN A 192 5.994 -14.450 5.056 1.00 30.14 H new ATOM 0 HG2 GLN A 192 3.780 -13.426 4.644 1.00 2.14 H new ATOM 0 HG3 GLN A 192 4.555 -11.962 4.073 1.00 2.14 H new ATOM 0 HE21 GLN A 192 3.685 -12.092 2.012 1.00 60.34 H new ATOM 0 HE22 GLN A 192 4.220 -13.299 0.837 1.00 60.34 H new ATOM 555 N PRO A 193 6.710 -10.492 5.988 1.00 54.35 N ATOM 556 CA PRO A 193 6.550 -9.059 5.851 1.00 31.30 C ATOM 557 C PRO A 193 5.454 -8.708 4.846 1.00 73.04 C ATOM 558 O PRO A 193 5.387 -9.257 3.730 1.00 11.21 O ATOM 559 CB PRO A 193 7.918 -8.573 5.339 1.00 72.33 C ATOM 560 CG PRO A 193 8.608 -9.800 4.860 1.00 22.34 C ATOM 561 CD PRO A 193 8.093 -10.911 5.715 1.00 34.24 C ATOM 0 HA PRO A 193 6.254 -8.593 6.791 1.00 31.30 H new ATOM 0 HB2 PRO A 193 7.803 -7.846 4.535 1.00 72.33 H new ATOM 0 HB3 PRO A 193 8.485 -8.085 6.132 1.00 72.33 H new ATOM 0 HG2 PRO A 193 8.394 -9.984 3.807 1.00 22.34 H new ATOM 0 HG3 PRO A 193 9.690 -9.703 4.953 1.00 22.34 H new ATOM 0 HD2 PRO A 193 8.131 -11.870 5.199 1.00 34.24 H new ATOM 0 HD3 PRO A 193 8.672 -11.019 6.632 1.00 34.24 H new ATOM 569 N GLY A 194 4.615 -7.826 5.256 1.00 52.44 N ATOM 570 CA GLY A 194 3.565 -7.344 4.451 1.00 1.23 C ATOM 571 C GLY A 194 3.422 -5.904 4.696 1.00 72.25 C ATOM 572 O GLY A 194 3.677 -5.446 5.807 1.00 24.34 O ATOM 0 H GLY A 194 4.646 -7.412 6.188 1.00 52.44 H new ATOM 0 HA2 GLY A 194 3.777 -7.531 3.398 1.00 1.23 H new ATOM 0 HA3 GLY A 194 2.636 -7.864 4.687 1.00 1.23 H new ATOM 576 N ILE A 195 3.062 -5.176 3.706 1.00 64.04 N ATOM 577 CA ILE A 195 2.937 -3.774 3.862 1.00 63.11 C ATOM 578 C ILE A 195 1.492 -3.363 3.948 1.00 42.20 C ATOM 579 O ILE A 195 0.655 -3.820 3.182 1.00 51.33 O ATOM 580 CB ILE A 195 3.760 -2.952 2.807 1.00 52.33 C ATOM 581 CG1 ILE A 195 5.280 -3.083 3.073 1.00 22.31 C ATOM 582 CG2 ILE A 195 3.359 -1.487 2.777 1.00 14.50 C ATOM 583 CD1 ILE A 195 5.896 -4.436 2.760 1.00 12.41 C ATOM 0 H ILE A 195 2.847 -5.529 2.773 1.00 64.04 H new ATOM 0 HA ILE A 195 3.396 -3.519 4.817 1.00 63.11 H new ATOM 0 HB ILE A 195 3.530 -3.375 1.829 1.00 52.33 H new ATOM 0 HG12 ILE A 195 5.798 -2.325 2.485 1.00 22.31 H new ATOM 0 HG13 ILE A 195 5.466 -2.855 4.123 1.00 22.31 H new ATOM 0 HG21 ILE A 195 3.956 -0.961 2.032 1.00 14.50 H new ATOM 0 HG22 ILE A 195 2.303 -1.404 2.520 1.00 14.50 H new ATOM 0 HG23 ILE A 195 3.529 -1.043 3.758 1.00 14.50 H new ATOM 0 HD11 ILE A 195 6.962 -4.411 2.984 1.00 12.41 H new ATOM 0 HD12 ILE A 195 5.415 -5.204 3.367 1.00 12.41 H new ATOM 0 HD13 ILE A 195 5.753 -4.665 1.704 1.00 12.41 H new ATOM 590 N PHE A 196 1.211 -2.540 4.909 1.00 74.53 N ATOM 591 CA PHE A 196 -0.124 -2.094 5.187 1.00 44.34 C ATOM 592 C PHE A 196 -0.138 -0.590 5.119 1.00 45.33 C ATOM 593 O PHE A 196 0.929 0.051 5.084 1.00 11.14 O ATOM 594 CB PHE A 196 -0.547 -2.542 6.607 1.00 44.32 C ATOM 595 CG PHE A 196 -0.475 -4.034 6.849 1.00 61.22 C ATOM 596 CD1 PHE A 196 0.738 -4.650 7.137 1.00 52.14 C ATOM 597 CD2 PHE A 196 -1.611 -4.815 6.788 1.00 74.50 C ATOM 598 CE1 PHE A 196 0.812 -6.010 7.352 1.00 22.42 C ATOM 599 CE2 PHE A 196 -1.543 -6.179 7.004 1.00 45.14 C ATOM 600 CZ PHE A 196 -0.329 -6.775 7.286 1.00 12.31 C ATOM 0 H PHE A 196 1.915 -2.150 5.536 1.00 74.53 H new ATOM 0 HA PHE A 196 -0.817 -2.520 4.462 1.00 44.34 H new ATOM 0 HB2 PHE A 196 0.088 -2.039 7.336 1.00 44.32 H new ATOM 0 HB3 PHE A 196 -1.568 -2.207 6.789 1.00 44.32 H new ATOM 0 HD1 PHE A 196 1.637 -4.054 7.193 1.00 52.14 H new ATOM 0 HD2 PHE A 196 -2.564 -4.356 6.569 1.00 74.50 H new ATOM 0 HE1 PHE A 196 1.763 -6.473 7.571 1.00 22.42 H new ATOM 0 HE2 PHE A 196 -2.440 -6.779 6.952 1.00 45.14 H new ATOM 0 HZ PHE A 196 -0.276 -7.840 7.454 1.00 12.31 H new ATOM 610 N ILE A 197 -1.303 -0.035 5.096 1.00 73.24 N ATOM 611 CA ILE A 197 -1.470 1.393 5.077 1.00 40.23 C ATOM 612 C ILE A 197 -1.238 1.928 6.490 1.00 2.13 C ATOM 613 O ILE A 197 -1.678 1.344 7.451 1.00 4.35 O ATOM 614 CB ILE A 197 -2.879 1.811 4.580 1.00 23.22 C ATOM 615 CG1 ILE A 197 -3.197 1.164 3.218 1.00 11.04 C ATOM 616 CG2 ILE A 197 -2.986 3.338 4.474 1.00 64.32 C ATOM 617 CD1 ILE A 197 -2.265 1.556 2.093 1.00 52.42 C ATOM 0 H ILE A 197 -2.179 -0.558 5.090 1.00 73.24 H new ATOM 0 HA ILE A 197 -0.747 1.815 4.380 1.00 40.23 H new ATOM 0 HB ILE A 197 -3.608 1.458 5.310 1.00 23.22 H new ATOM 0 HG12 ILE A 197 -3.170 0.080 3.332 1.00 11.04 H new ATOM 0 HG13 ILE A 197 -4.216 1.429 2.935 1.00 11.04 H new ATOM 0 HG21 ILE A 197 -3.982 3.610 4.124 1.00 64.32 H new ATOM 0 HG22 ILE A 197 -2.812 3.784 5.453 1.00 64.32 H new ATOM 0 HG23 ILE A 197 -2.241 3.707 3.769 1.00 64.32 H new ATOM 0 HD11 ILE A 197 -2.569 1.051 1.176 1.00 52.42 H new ATOM 0 HD12 ILE A 197 -2.308 2.635 1.944 1.00 52.42 H new ATOM 0 HD13 ILE A 197 -1.246 1.265 2.347 1.00 52.42 H new ATOM 624 N SER A 198 -0.476 2.943 6.613 1.00 75.42 N ATOM 625 CA SER A 198 -0.242 3.529 7.897 1.00 73.11 C ATOM 626 C SER A 198 -1.018 4.838 8.095 1.00 44.41 C ATOM 627 O SER A 198 -1.530 5.099 9.185 1.00 34.31 O ATOM 628 CB SER A 198 1.270 3.654 8.156 1.00 1.23 C ATOM 629 OG SER A 198 1.591 4.511 9.225 1.00 43.24 O ATOM 0 H SER A 198 0.007 3.399 5.839 1.00 75.42 H new ATOM 0 HA SER A 198 -0.641 2.861 8.661 1.00 73.11 H new ATOM 0 HB2 SER A 198 1.678 2.664 8.360 1.00 1.23 H new ATOM 0 HB3 SER A 198 1.756 4.018 7.251 1.00 1.23 H new ATOM 0 HG SER A 198 2.564 4.544 9.337 1.00 43.24 H new ATOM 635 N ARG A 199 -1.150 5.630 7.042 1.00 62.33 N ATOM 636 CA ARG A 199 -1.824 6.925 7.140 1.00 52.40 C ATOM 637 C ARG A 199 -2.112 7.471 5.752 1.00 2.53 C ATOM 638 O ARG A 199 -1.347 7.239 4.840 1.00 0.51 O ATOM 639 CB ARG A 199 -0.926 7.928 7.933 1.00 60.22 C ATOM 640 CG ARG A 199 -1.483 9.350 8.077 1.00 15.33 C ATOM 641 CD ARG A 199 -2.829 9.359 8.785 1.00 34.14 C ATOM 642 NE ARG A 199 -2.752 8.825 10.145 1.00 31.42 N ATOM 643 CZ ARG A 199 -3.790 8.312 10.830 1.00 70.32 C ATOM 644 NH1 ARG A 199 -4.992 8.221 10.267 1.00 71.25 N ATOM 645 NH2 ARG A 199 -3.617 7.890 12.070 1.00 32.45 N ATOM 0 H ARG A 199 -0.802 5.404 6.110 1.00 62.33 H new ATOM 0 HA ARG A 199 -2.768 6.795 7.668 1.00 52.40 H new ATOM 0 HB2 ARG A 199 -0.754 7.523 8.930 1.00 60.22 H new ATOM 0 HB3 ARG A 199 0.045 7.986 7.440 1.00 60.22 H new ATOM 0 HG2 ARG A 199 -0.775 9.963 8.634 1.00 15.33 H new ATOM 0 HG3 ARG A 199 -1.588 9.801 7.090 1.00 15.33 H new ATOM 0 HD2 ARG A 199 -3.210 10.380 8.820 1.00 34.14 H new ATOM 0 HD3 ARG A 199 -3.543 8.772 8.208 1.00 34.14 H new ATOM 0 HE ARG A 199 -1.843 8.843 10.608 1.00 31.42 H new ATOM 0 HH11 ARG A 199 -5.132 8.541 9.309 1.00 71.25 H new ATOM 0 HH12 ARG A 199 -5.774 7.831 10.794 1.00 71.25 H new ATOM 0 HH21 ARG A 199 -2.697 7.953 12.507 1.00 32.45 H new ATOM 0 HH22 ARG A 199 -4.403 7.501 12.591 1.00 32.45 H new ATOM 657 N LEU A 200 -3.225 8.144 5.590 1.00 32.10 N ATOM 658 CA LEU A 200 -3.494 8.853 4.359 1.00 5.40 C ATOM 659 C LEU A 200 -3.230 10.305 4.581 1.00 73.33 C ATOM 660 O LEU A 200 -3.458 10.817 5.681 1.00 0.13 O ATOM 661 CB LEU A 200 -4.953 8.742 3.910 1.00 2.32 C ATOM 662 CG LEU A 200 -5.498 7.394 3.491 1.00 71.10 C ATOM 663 CD1 LEU A 200 -6.948 7.582 3.085 1.00 15.43 C ATOM 664 CD2 LEU A 200 -4.702 6.827 2.327 1.00 63.13 C ATOM 0 H LEU A 200 -3.960 8.217 6.294 1.00 32.10 H new ATOM 0 HA LEU A 200 -2.856 8.410 3.595 1.00 5.40 H new ATOM 0 HB2 LEU A 200 -5.576 9.108 4.726 1.00 2.32 H new ATOM 0 HB3 LEU A 200 -5.091 9.426 3.073 1.00 2.32 H new ATOM 0 HG LEU A 200 -5.419 6.691 4.320 1.00 71.10 H new ATOM 0 HD11 LEU A 200 -7.367 6.624 2.778 1.00 15.43 H new ATOM 0 HD12 LEU A 200 -7.515 7.971 3.931 1.00 15.43 H new ATOM 0 HD13 LEU A 200 -7.005 8.286 2.255 1.00 15.43 H new ATOM 0 HD21 LEU A 200 -5.112 5.858 2.043 1.00 63.13 H new ATOM 0 HD22 LEU A 200 -4.762 7.509 1.479 1.00 63.13 H new ATOM 0 HD23 LEU A 200 -3.660 6.707 2.623 1.00 63.13 H new ATOM 672 N VAL A 201 -2.748 10.960 3.578 1.00 45.55 N ATOM 673 CA VAL A 201 -2.610 12.372 3.627 1.00 32.22 C ATOM 674 C VAL A 201 -3.717 12.928 2.763 1.00 0.11 C ATOM 675 O VAL A 201 -3.738 12.685 1.544 1.00 23.43 O ATOM 676 CB VAL A 201 -1.240 12.842 3.069 1.00 22.13 C ATOM 677 CG1 VAL A 201 -1.104 14.355 3.166 1.00 5.12 C ATOM 678 CG2 VAL A 201 -0.102 12.163 3.803 1.00 11.43 C ATOM 0 H VAL A 201 -2.440 10.531 2.705 1.00 45.55 H new ATOM 0 HA VAL A 201 -2.666 12.718 4.659 1.00 32.22 H new ATOM 0 HB VAL A 201 -1.191 12.560 2.017 1.00 22.13 H new ATOM 0 HG11 VAL A 201 -0.136 14.659 2.769 1.00 5.12 H new ATOM 0 HG12 VAL A 201 -1.898 14.829 2.590 1.00 5.12 H new ATOM 0 HG13 VAL A 201 -1.181 14.661 4.209 1.00 5.12 H new ATOM 0 HG21 VAL A 201 0.849 12.506 3.397 1.00 11.43 H new ATOM 0 HG22 VAL A 201 -0.154 12.410 4.863 1.00 11.43 H new ATOM 0 HG23 VAL A 201 -0.181 11.083 3.678 1.00 11.43 H new ATOM 684 N PRO A 202 -4.674 13.635 3.357 1.00 40.21 N ATOM 685 CA PRO A 202 -5.775 14.204 2.612 1.00 24.01 C ATOM 686 C PRO A 202 -5.257 15.213 1.591 1.00 33.35 C ATOM 687 O PRO A 202 -4.359 16.020 1.897 1.00 72.44 O ATOM 688 CB PRO A 202 -6.638 14.892 3.670 1.00 41.41 C ATOM 689 CG PRO A 202 -6.216 14.286 4.961 1.00 44.11 C ATOM 690 CD PRO A 202 -4.776 13.913 4.794 1.00 10.41 C ATOM 0 HA PRO A 202 -6.334 13.456 2.051 1.00 24.01 H new ATOM 0 HB2 PRO A 202 -6.479 15.970 3.669 1.00 41.41 H new ATOM 0 HB3 PRO A 202 -7.699 14.726 3.484 1.00 41.41 H new ATOM 0 HG2 PRO A 202 -6.343 14.991 5.782 1.00 44.11 H new ATOM 0 HG3 PRO A 202 -6.821 13.410 5.196 1.00 44.11 H new ATOM 0 HD2 PRO A 202 -4.111 14.722 5.097 1.00 10.41 H new ATOM 0 HD3 PRO A 202 -4.512 13.042 5.394 1.00 10.41 H new ATOM 698 N GLY A 203 -5.790 15.164 0.409 1.00 33.21 N ATOM 699 CA GLY A 203 -5.306 15.998 -0.658 1.00 75.21 C ATOM 700 C GLY A 203 -4.477 15.184 -1.615 1.00 35.34 C ATOM 701 O GLY A 203 -4.366 15.505 -2.811 1.00 34.24 O ATOM 0 H GLY A 203 -6.565 14.553 0.154 1.00 33.21 H new ATOM 0 HA2 GLY A 203 -6.146 16.450 -1.186 1.00 75.21 H new ATOM 0 HA3 GLY A 203 -4.709 16.814 -0.250 1.00 75.21 H new ATOM 705 N GLY A 204 -3.903 14.118 -1.087 1.00 52.54 N ATOM 706 CA GLY A 204 -3.107 13.234 -1.868 1.00 10.34 C ATOM 707 C GLY A 204 -3.965 12.294 -2.658 1.00 43.31 C ATOM 708 O GLY A 204 -5.133 12.084 -2.314 1.00 62.31 O ATOM 0 H GLY A 204 -3.985 13.855 -0.105 1.00 52.54 H new ATOM 0 HA2 GLY A 204 -2.475 13.810 -2.544 1.00 10.34 H new ATOM 0 HA3 GLY A 204 -2.443 12.666 -1.217 1.00 10.34 H new ATOM 712 N LEU A 205 -3.378 11.679 -3.666 1.00 2.14 N ATOM 713 CA LEU A 205 -4.082 10.849 -4.603 1.00 72.42 C ATOM 714 C LEU A 205 -4.703 9.633 -3.928 1.00 13.21 C ATOM 715 O LEU A 205 -5.746 9.126 -4.367 1.00 20.13 O ATOM 716 CB LEU A 205 -3.154 10.432 -5.753 1.00 13.35 C ATOM 717 CG LEU A 205 -2.575 11.557 -6.659 1.00 74.52 C ATOM 718 CD1 LEU A 205 -3.669 12.472 -7.188 1.00 22.22 C ATOM 719 CD2 LEU A 205 -1.463 12.357 -5.978 1.00 34.20 C ATOM 0 H LEU A 205 -2.378 11.749 -3.854 1.00 2.14 H new ATOM 0 HA LEU A 205 -4.902 11.436 -5.017 1.00 72.42 H new ATOM 0 HB2 LEU A 205 -2.316 9.881 -5.325 1.00 13.35 H new ATOM 0 HB3 LEU A 205 -3.701 9.736 -6.390 1.00 13.35 H new ATOM 0 HG LEU A 205 -2.118 11.054 -7.511 1.00 74.52 H new ATOM 0 HD11 LEU A 205 -3.225 13.244 -7.816 1.00 22.22 H new ATOM 0 HD12 LEU A 205 -4.378 11.889 -7.776 1.00 22.22 H new ATOM 0 HD13 LEU A 205 -4.189 12.939 -6.351 1.00 22.22 H new ATOM 0 HD21 LEU A 205 -1.099 13.127 -6.659 1.00 34.20 H new ATOM 0 HD22 LEU A 205 -1.853 12.826 -5.075 1.00 34.20 H new ATOM 0 HD23 LEU A 205 -0.643 11.689 -5.714 1.00 34.20 H new ATOM 727 N ALA A 206 -4.073 9.177 -2.860 1.00 41.24 N ATOM 728 CA ALA A 206 -4.588 8.066 -2.086 1.00 4.52 C ATOM 729 C ALA A 206 -5.935 8.435 -1.459 1.00 30.32 C ATOM 730 O ALA A 206 -6.909 7.688 -1.555 1.00 72.33 O ATOM 731 CB ALA A 206 -3.594 7.681 -1.021 1.00 21.00 C ATOM 0 H ALA A 206 -3.197 9.564 -2.508 1.00 41.24 H new ATOM 0 HA ALA A 206 -4.741 7.212 -2.746 1.00 4.52 H new ATOM 0 HB1 ALA A 206 -3.987 6.845 -0.442 1.00 21.00 H new ATOM 0 HB2 ALA A 206 -2.654 7.389 -1.489 1.00 21.00 H new ATOM 0 HB3 ALA A 206 -3.421 8.531 -0.360 1.00 21.00 H new ATOM 737 N GLU A 207 -5.997 9.607 -0.857 1.00 55.23 N ATOM 738 CA GLU A 207 -7.226 10.079 -0.248 1.00 15.20 C ATOM 739 C GLU A 207 -8.232 10.449 -1.329 1.00 42.01 C ATOM 740 O GLU A 207 -9.434 10.239 -1.159 1.00 15.15 O ATOM 741 CB GLU A 207 -6.930 11.222 0.766 1.00 12.54 C ATOM 742 CG GLU A 207 -8.147 11.893 1.445 1.00 3.44 C ATOM 743 CD GLU A 207 -8.839 12.920 0.569 1.00 43.11 C ATOM 744 OE1 GLU A 207 -8.184 13.915 0.194 1.00 20.21 O ATOM 745 OE2 GLU A 207 -10.042 12.769 0.270 1.00 10.10 O ATOM 0 H GLU A 207 -5.210 10.251 -0.776 1.00 55.23 H new ATOM 0 HA GLU A 207 -7.686 9.282 0.337 1.00 15.20 H new ATOM 0 HB2 GLU A 207 -6.284 10.822 1.548 1.00 12.54 H new ATOM 0 HB3 GLU A 207 -6.362 11.995 0.248 1.00 12.54 H new ATOM 0 HG2 GLU A 207 -8.866 11.124 1.726 1.00 3.44 H new ATOM 0 HG3 GLU A 207 -7.819 12.375 2.366 1.00 3.44 H new ATOM 752 N SER A 208 -7.728 10.954 -2.452 1.00 74.24 N ATOM 753 CA SER A 208 -8.562 11.301 -3.586 1.00 34.12 C ATOM 754 C SER A 208 -9.391 10.093 -4.056 1.00 52.22 C ATOM 755 O SER A 208 -10.560 10.242 -4.401 1.00 31.31 O ATOM 756 CB SER A 208 -7.701 11.830 -4.726 1.00 42.10 C ATOM 757 OG SER A 208 -6.957 12.968 -4.310 1.00 63.13 O ATOM 0 H SER A 208 -6.734 11.131 -2.596 1.00 74.24 H new ATOM 0 HA SER A 208 -9.255 12.082 -3.273 1.00 34.12 H new ATOM 0 HB2 SER A 208 -7.021 11.049 -5.066 1.00 42.10 H new ATOM 0 HB3 SER A 208 -8.334 12.093 -5.574 1.00 42.10 H new ATOM 0 HG SER A 208 -6.283 12.696 -3.653 1.00 63.13 H new ATOM 763 N THR A 209 -8.801 8.901 -4.051 1.00 23.31 N ATOM 764 CA THR A 209 -9.567 7.736 -4.415 1.00 65.00 C ATOM 765 C THR A 209 -10.346 7.221 -3.193 1.00 11.22 C ATOM 766 O THR A 209 -11.506 6.838 -3.308 1.00 52.21 O ATOM 767 CB THR A 209 -8.704 6.598 -5.079 1.00 61.12 C ATOM 768 OG1 THR A 209 -9.541 5.543 -5.537 1.00 43.34 O ATOM 769 CG2 THR A 209 -7.648 6.022 -4.133 1.00 60.30 C ATOM 0 H THR A 209 -7.826 8.728 -3.806 1.00 23.31 H new ATOM 0 HA THR A 209 -10.273 8.043 -5.186 1.00 65.00 H new ATOM 0 HB THR A 209 -8.183 7.060 -5.917 1.00 61.12 H new ATOM 0 HG1 THR A 209 -9.130 5.115 -6.317 1.00 43.34 H new ATOM 0 HG21 THR A 209 -7.085 5.243 -4.647 1.00 60.30 H new ATOM 0 HG22 THR A 209 -6.968 6.815 -3.821 1.00 60.30 H new ATOM 0 HG23 THR A 209 -8.137 5.598 -3.256 1.00 60.30 H new ATOM 775 N GLY A 210 -9.695 7.238 -2.018 1.00 11.12 N ATOM 776 CA GLY A 210 -10.336 6.835 -0.768 1.00 13.13 C ATOM 777 C GLY A 210 -10.718 5.359 -0.709 1.00 62.53 C ATOM 778 O GLY A 210 -11.288 4.900 0.287 1.00 35.45 O ATOM 0 H GLY A 210 -8.723 7.528 -1.914 1.00 11.12 H new ATOM 0 HA2 GLY A 210 -9.664 7.058 0.060 1.00 13.13 H new ATOM 0 HA3 GLY A 210 -11.233 7.437 -0.622 1.00 13.13 H new ATOM 782 N LEU A 211 -10.385 4.615 -1.755 1.00 23.45 N ATOM 783 CA LEU A 211 -10.740 3.208 -1.847 1.00 75.25 C ATOM 784 C LEU A 211 -9.804 2.367 -1.018 1.00 70.22 C ATOM 785 O LEU A 211 -10.047 1.192 -0.794 1.00 12.14 O ATOM 786 CB LEU A 211 -10.731 2.744 -3.302 1.00 41.21 C ATOM 787 CG LEU A 211 -11.601 3.564 -4.260 1.00 12.03 C ATOM 788 CD1 LEU A 211 -11.570 2.986 -5.657 1.00 4.23 C ATOM 789 CD2 LEU A 211 -13.033 3.703 -3.757 1.00 53.35 C ATOM 0 H LEU A 211 -9.865 4.968 -2.558 1.00 23.45 H new ATOM 0 HA LEU A 211 -11.749 3.086 -1.454 1.00 75.25 H new ATOM 0 HB2 LEU A 211 -9.703 2.763 -3.665 1.00 41.21 H new ATOM 0 HB3 LEU A 211 -11.062 1.706 -3.336 1.00 41.21 H new ATOM 0 HG LEU A 211 -11.175 4.567 -4.298 1.00 12.03 H new ATOM 0 HD11 LEU A 211 -12.197 3.589 -6.314 1.00 4.23 H new ATOM 0 HD12 LEU A 211 -10.546 2.989 -6.029 1.00 4.23 H new ATOM 0 HD13 LEU A 211 -11.946 1.963 -5.636 1.00 4.23 H new ATOM 0 HD21 LEU A 211 -13.613 4.292 -4.468 1.00 53.35 H new ATOM 0 HD22 LEU A 211 -13.480 2.714 -3.655 1.00 53.35 H new ATOM 0 HD23 LEU A 211 -13.031 4.203 -2.788 1.00 53.35 H new ATOM 797 N LEU A 212 -8.731 2.973 -0.588 1.00 44.51 N ATOM 798 CA LEU A 212 -7.806 2.317 0.306 1.00 74.35 C ATOM 799 C LEU A 212 -7.913 2.972 1.666 1.00 35.33 C ATOM 800 O LEU A 212 -7.982 4.206 1.765 1.00 1.35 O ATOM 801 CB LEU A 212 -6.330 2.328 -0.204 1.00 74.55 C ATOM 802 CG LEU A 212 -5.535 3.634 -0.223 1.00 54.04 C ATOM 803 CD1 LEU A 212 -4.087 3.342 -0.607 1.00 73.23 C ATOM 804 CD2 LEU A 212 -6.128 4.636 -1.181 1.00 61.13 C ATOM 0 H LEU A 212 -8.471 3.926 -0.842 1.00 44.51 H new ATOM 0 HA LEU A 212 -8.081 1.264 0.361 1.00 74.35 H new ATOM 0 HB2 LEU A 212 -5.772 1.618 0.406 1.00 74.55 H new ATOM 0 HB3 LEU A 212 -6.336 1.938 -1.222 1.00 74.55 H new ATOM 0 HG LEU A 212 -5.576 4.069 0.776 1.00 54.04 H new ATOM 0 HD11 LEU A 212 -3.520 4.273 -0.621 1.00 73.23 H new ATOM 0 HD12 LEU A 212 -3.648 2.660 0.121 1.00 73.23 H new ATOM 0 HD13 LEU A 212 -4.058 2.885 -1.596 1.00 73.23 H new ATOM 0 HD21 LEU A 212 -5.534 5.550 -1.165 1.00 61.13 H new ATOM 0 HD22 LEU A 212 -6.127 4.220 -2.189 1.00 61.13 H new ATOM 0 HD23 LEU A 212 -7.152 4.863 -0.883 1.00 61.13 H new ATOM 812 N ALA A 213 -7.968 2.179 2.690 1.00 31.34 N ATOM 813 CA ALA A 213 -8.102 2.687 4.030 1.00 41.34 C ATOM 814 C ALA A 213 -6.895 2.313 4.855 1.00 22.21 C ATOM 815 O ALA A 213 -6.161 1.401 4.500 1.00 12.25 O ATOM 816 CB ALA A 213 -9.379 2.177 4.669 1.00 13.40 C ATOM 0 H ALA A 213 -7.922 1.162 2.627 1.00 31.34 H new ATOM 0 HA ALA A 213 -8.161 3.775 3.987 1.00 41.34 H new ATOM 0 HB1 ALA A 213 -9.462 2.572 5.681 1.00 13.40 H new ATOM 0 HB2 ALA A 213 -10.236 2.504 4.080 1.00 13.40 H new ATOM 0 HB3 ALA A 213 -9.358 1.088 4.705 1.00 13.40 H new ATOM 822 N VAL A 214 -6.710 3.007 5.967 1.00 42.13 N ATOM 823 CA VAL A 214 -5.564 2.828 6.838 1.00 32.11 C ATOM 824 C VAL A 214 -5.375 1.394 7.354 1.00 64.05 C ATOM 825 O VAL A 214 -4.282 0.972 7.591 1.00 51.41 O ATOM 826 CB VAL A 214 -5.534 3.852 8.000 1.00 50.12 C ATOM 827 CG1 VAL A 214 -5.420 5.272 7.460 1.00 4.04 C ATOM 828 CG2 VAL A 214 -6.759 3.716 8.897 1.00 25.12 C ATOM 0 H VAL A 214 -7.362 3.720 6.293 1.00 42.13 H new ATOM 0 HA VAL A 214 -4.706 3.026 6.195 1.00 32.11 H new ATOM 0 HB VAL A 214 -4.654 3.638 8.607 1.00 50.12 H new ATOM 0 HG11 VAL A 214 -5.400 5.977 8.291 1.00 4.04 H new ATOM 0 HG12 VAL A 214 -4.502 5.368 6.881 1.00 4.04 H new ATOM 0 HG13 VAL A 214 -6.276 5.488 6.821 1.00 4.04 H new ATOM 0 HG21 VAL A 214 -6.704 4.450 9.701 1.00 25.12 H new ATOM 0 HG22 VAL A 214 -7.661 3.888 8.310 1.00 25.12 H new ATOM 0 HG23 VAL A 214 -6.789 2.713 9.323 1.00 25.12 H new ATOM 834 N ASN A 215 -6.432 0.681 7.535 1.00 64.12 N ATOM 835 CA ASN A 215 -6.331 -0.689 8.065 1.00 72.42 C ATOM 836 C ASN A 215 -6.001 -1.720 6.983 1.00 21.30 C ATOM 837 O ASN A 215 -5.633 -2.861 7.294 1.00 40.21 O ATOM 838 CB ASN A 215 -7.589 -1.102 8.837 1.00 34.33 C ATOM 839 CG ASN A 215 -7.869 -0.226 10.046 1.00 22.13 C ATOM 840 OD1 ASN A 215 -6.955 0.331 10.656 1.00 23.45 O ATOM 841 ND2 ASN A 215 -9.121 -0.106 10.414 1.00 4.33 N ATOM 0 H ASN A 215 -7.382 0.995 7.334 1.00 64.12 H new ATOM 0 HA ASN A 215 -5.495 -0.673 8.764 1.00 72.42 H new ATOM 0 HB2 ASN A 215 -8.447 -1.066 8.165 1.00 34.33 H new ATOM 0 HB3 ASN A 215 -7.483 -2.136 9.164 1.00 34.33 H new ATOM 0 HD21 ASN A 215 -9.362 0.461 11.227 1.00 4.33 H new ATOM 0 HD22 ASN A 215 -9.855 -0.580 9.888 1.00 4.33 H new ATOM 847 N ASP A 216 -6.141 -1.321 5.726 1.00 11.24 N ATOM 848 CA ASP A 216 -6.006 -2.235 4.575 1.00 0.03 C ATOM 849 C ASP A 216 -4.568 -2.729 4.358 1.00 34.23 C ATOM 850 O ASP A 216 -3.589 -2.076 4.768 1.00 4.32 O ATOM 851 CB ASP A 216 -6.537 -1.592 3.280 1.00 34.54 C ATOM 852 CG ASP A 216 -8.009 -1.194 3.334 1.00 5.13 C ATOM 853 OD1 ASP A 216 -8.729 -1.587 4.290 1.00 55.33 O ATOM 854 OD2 ASP A 216 -8.467 -0.483 2.421 1.00 11.05 O ATOM 0 H ASP A 216 -6.351 -0.358 5.464 1.00 11.24 H new ATOM 0 HA ASP A 216 -6.615 -3.105 4.821 1.00 0.03 H new ATOM 0 HB2 ASP A 216 -5.941 -0.707 3.057 1.00 34.54 H new ATOM 0 HB3 ASP A 216 -6.391 -2.290 2.456 1.00 34.54 H new ATOM 859 N GLU A 217 -4.464 -3.881 3.702 1.00 63.10 N ATOM 860 CA GLU A 217 -3.191 -4.536 3.404 1.00 42.31 C ATOM 861 C GLU A 217 -2.869 -4.411 1.924 1.00 2.51 C ATOM 862 O GLU A 217 -3.742 -4.608 1.080 1.00 1.11 O ATOM 863 CB GLU A 217 -3.242 -6.030 3.803 1.00 61.30 C ATOM 864 CG GLU A 217 -1.951 -6.813 3.527 1.00 52.42 C ATOM 865 CD GLU A 217 -2.086 -8.302 3.808 1.00 4.01 C ATOM 866 OE1 GLU A 217 -1.864 -8.737 4.957 1.00 51.45 O ATOM 867 OE2 GLU A 217 -2.413 -9.065 2.874 1.00 54.12 O ATOM 0 H GLU A 217 -5.274 -4.395 3.356 1.00 63.10 H new ATOM 0 HA GLU A 217 -2.409 -4.044 3.983 1.00 42.31 H new ATOM 0 HB2 GLU A 217 -3.473 -6.100 4.866 1.00 61.30 H new ATOM 0 HB3 GLU A 217 -4.062 -6.507 3.266 1.00 61.30 H new ATOM 0 HG2 GLU A 217 -1.662 -6.670 2.486 1.00 52.42 H new ATOM 0 HG3 GLU A 217 -1.147 -6.405 4.140 1.00 52.42 H new ATOM 874 N VAL A 218 -1.622 -4.112 1.615 1.00 54.33 N ATOM 875 CA VAL A 218 -1.188 -3.950 0.247 1.00 23.34 C ATOM 876 C VAL A 218 -0.840 -5.311 -0.355 1.00 61.50 C ATOM 877 O VAL A 218 -0.046 -6.072 0.195 1.00 12.54 O ATOM 878 CB VAL A 218 0.036 -2.984 0.132 1.00 64.33 C ATOM 879 CG1 VAL A 218 0.379 -2.712 -1.323 1.00 55.25 C ATOM 880 CG2 VAL A 218 -0.219 -1.672 0.869 1.00 43.25 C ATOM 0 H VAL A 218 -0.885 -3.975 2.306 1.00 54.33 H new ATOM 0 HA VAL A 218 -2.012 -3.503 -0.310 1.00 23.34 H new ATOM 0 HB VAL A 218 0.886 -3.478 0.603 1.00 64.33 H new ATOM 0 HG11 VAL A 218 1.234 -2.037 -1.375 1.00 55.25 H new ATOM 0 HG12 VAL A 218 0.626 -3.650 -1.820 1.00 55.25 H new ATOM 0 HG13 VAL A 218 -0.476 -2.253 -1.819 1.00 55.25 H new ATOM 0 HG21 VAL A 218 0.651 -1.023 0.769 1.00 43.25 H new ATOM 0 HG22 VAL A 218 -1.091 -1.178 0.441 1.00 43.25 H new ATOM 0 HG23 VAL A 218 -0.400 -1.877 1.924 1.00 43.25 H new ATOM 886 N ILE A 219 -1.456 -5.599 -1.470 1.00 14.31 N ATOM 887 CA ILE A 219 -1.269 -6.840 -2.188 1.00 54.24 C ATOM 888 C ILE A 219 -0.129 -6.708 -3.207 1.00 72.34 C ATOM 889 O ILE A 219 0.803 -7.534 -3.238 1.00 14.23 O ATOM 890 CB ILE A 219 -2.611 -7.278 -2.891 1.00 35.02 C ATOM 891 CG1 ILE A 219 -3.696 -7.582 -1.835 1.00 75.42 C ATOM 892 CG2 ILE A 219 -2.405 -8.488 -3.793 1.00 32.55 C ATOM 893 CD1 ILE A 219 -3.288 -8.658 -0.880 1.00 44.10 C ATOM 0 H ILE A 219 -2.118 -4.965 -1.918 1.00 14.31 H new ATOM 0 HA ILE A 219 -0.993 -7.616 -1.474 1.00 54.24 H new ATOM 0 HB ILE A 219 -2.941 -6.448 -3.516 1.00 35.02 H new ATOM 0 HG12 ILE A 219 -3.919 -6.672 -1.277 1.00 75.42 H new ATOM 0 HG13 ILE A 219 -4.615 -7.880 -2.340 1.00 75.42 H new ATOM 0 HG21 ILE A 219 -3.352 -8.760 -4.259 1.00 32.55 H new ATOM 0 HG22 ILE A 219 -1.676 -8.245 -4.566 1.00 32.55 H new ATOM 0 HG23 ILE A 219 -2.039 -9.326 -3.200 1.00 32.55 H new ATOM 0 HD11 ILE A 219 -4.089 -8.829 -0.161 1.00 44.10 H new ATOM 0 HD12 ILE A 219 -3.092 -9.578 -1.431 1.00 44.10 H new ATOM 0 HD13 ILE A 219 -2.385 -8.352 -0.351 1.00 44.10 H new ATOM 900 N GLU A 220 -0.180 -5.664 -4.008 1.00 2.00 N ATOM 901 CA GLU A 220 0.826 -5.429 -5.016 1.00 65.30 C ATOM 902 C GLU A 220 0.908 -3.955 -5.347 1.00 71.42 C ATOM 903 O GLU A 220 -0.033 -3.183 -5.066 1.00 51.24 O ATOM 904 CB GLU A 220 0.520 -6.208 -6.310 1.00 60.24 C ATOM 905 CG GLU A 220 -0.768 -5.825 -6.986 1.00 12.04 C ATOM 906 CD GLU A 220 -0.896 -6.430 -8.354 1.00 31.22 C ATOM 907 OE1 GLU A 220 -1.330 -7.587 -8.474 1.00 65.13 O ATOM 908 OE2 GLU A 220 -0.583 -5.754 -9.331 1.00 34.44 O ATOM 0 H GLU A 220 -0.917 -4.959 -3.977 1.00 2.00 H new ATOM 0 HA GLU A 220 1.776 -5.775 -4.609 1.00 65.30 H new ATOM 0 HB2 GLU A 220 1.341 -6.057 -7.011 1.00 60.24 H new ATOM 0 HB3 GLU A 220 0.490 -7.273 -6.078 1.00 60.24 H new ATOM 0 HG2 GLU A 220 -1.608 -6.145 -6.370 1.00 12.04 H new ATOM 0 HG3 GLU A 220 -0.826 -4.739 -7.065 1.00 12.04 H new ATOM 915 N VAL A 221 2.012 -3.577 -5.934 1.00 75.42 N ATOM 916 CA VAL A 221 2.222 -2.264 -6.417 1.00 33.24 C ATOM 917 C VAL A 221 2.516 -2.327 -7.915 1.00 23.24 C ATOM 918 O VAL A 221 3.526 -2.866 -8.360 1.00 34.22 O ATOM 919 CB VAL A 221 3.344 -1.471 -5.665 1.00 44.21 C ATOM 920 CG1 VAL A 221 4.677 -2.149 -5.755 1.00 40.43 C ATOM 921 CG2 VAL A 221 3.423 -0.065 -6.215 1.00 42.22 C ATOM 0 H VAL A 221 2.804 -4.201 -6.087 1.00 75.42 H new ATOM 0 HA VAL A 221 1.306 -1.706 -6.225 1.00 33.24 H new ATOM 0 HB VAL A 221 3.080 -1.437 -4.608 1.00 44.21 H new ATOM 0 HG11 VAL A 221 5.421 -1.561 -5.218 1.00 40.43 H new ATOM 0 HG12 VAL A 221 4.611 -3.142 -5.311 1.00 40.43 H new ATOM 0 HG13 VAL A 221 4.970 -2.238 -6.801 1.00 40.43 H new ATOM 0 HG21 VAL A 221 4.204 0.487 -5.692 1.00 42.22 H new ATOM 0 HG22 VAL A 221 3.656 -0.103 -7.279 1.00 42.22 H new ATOM 0 HG23 VAL A 221 2.466 0.436 -6.071 1.00 42.22 H new ATOM 927 N ASN A 222 1.606 -1.790 -8.638 1.00 31.42 N ATOM 928 CA ASN A 222 1.589 -1.682 -10.061 1.00 54.33 C ATOM 929 C ASN A 222 2.079 -2.915 -10.790 1.00 13.14 C ATOM 930 O ASN A 222 3.174 -2.943 -11.344 1.00 64.15 O ATOM 931 CB ASN A 222 2.223 -0.383 -10.530 1.00 24.40 C ATOM 932 CG ASN A 222 2.044 -0.121 -11.998 1.00 72.35 C ATOM 933 OD1 ASN A 222 1.117 -0.619 -12.631 1.00 73.40 O ATOM 934 ND2 ASN A 222 2.862 0.713 -12.519 1.00 2.43 N ATOM 0 H ASN A 222 0.775 -1.375 -8.217 1.00 31.42 H new ATOM 0 HA ASN A 222 0.539 -1.633 -10.350 1.00 54.33 H new ATOM 0 HB2 ASN A 222 1.793 0.445 -9.967 1.00 24.40 H new ATOM 0 HB3 ASN A 222 3.288 -0.405 -10.301 1.00 24.40 H new ATOM 0 HD21 ASN A 222 2.757 0.988 -13.496 1.00 2.43 H new ATOM 0 HD22 ASN A 222 3.619 1.103 -11.958 1.00 2.43 H new ATOM 940 N GLY A 223 1.297 -3.964 -10.690 1.00 73.35 N ATOM 941 CA GLY A 223 1.611 -5.201 -11.364 1.00 55.24 C ATOM 942 C GLY A 223 2.569 -6.093 -10.591 1.00 21.11 C ATOM 943 O GLY A 223 2.621 -7.299 -10.830 1.00 63.41 O ATOM 0 H GLY A 223 0.435 -3.985 -10.146 1.00 73.35 H new ATOM 0 HA2 GLY A 223 0.687 -5.749 -11.548 1.00 55.24 H new ATOM 0 HA3 GLY A 223 2.046 -4.974 -12.337 1.00 55.24 H new ATOM 947 N ILE A 224 3.312 -5.517 -9.672 1.00 22.20 N ATOM 948 CA ILE A 224 4.312 -6.245 -8.933 1.00 22.43 C ATOM 949 C ILE A 224 3.831 -6.497 -7.521 1.00 11.22 C ATOM 950 O ILE A 224 3.526 -5.564 -6.796 1.00 15.43 O ATOM 951 CB ILE A 224 5.600 -5.432 -8.835 1.00 42.24 C ATOM 952 CG1 ILE A 224 6.054 -4.978 -10.219 1.00 61.32 C ATOM 953 CG2 ILE A 224 6.678 -6.287 -8.176 1.00 42.01 C ATOM 954 CD1 ILE A 224 7.218 -4.030 -10.175 1.00 45.35 C ATOM 0 H ILE A 224 3.238 -4.532 -9.418 1.00 22.20 H new ATOM 0 HA ILE A 224 4.493 -7.184 -9.455 1.00 22.43 H new ATOM 0 HB ILE A 224 5.421 -4.542 -8.232 1.00 42.24 H new ATOM 0 HG12 ILE A 224 6.327 -5.852 -10.810 1.00 61.32 H new ATOM 0 HG13 ILE A 224 5.220 -4.496 -10.729 1.00 61.32 H new ATOM 0 HG21 ILE A 224 7.602 -5.714 -8.102 1.00 42.01 H new ATOM 0 HG22 ILE A 224 6.351 -6.579 -7.178 1.00 42.01 H new ATOM 0 HG23 ILE A 224 6.852 -7.180 -8.777 1.00 42.01 H new ATOM 0 HD11 ILE A 224 7.493 -3.744 -11.190 1.00 45.35 H new ATOM 0 HD12 ILE A 224 6.941 -3.140 -9.610 1.00 45.35 H new ATOM 0 HD13 ILE A 224 8.066 -4.517 -9.693 1.00 45.35 H new ATOM 961 N GLU A 225 3.795 -7.737 -7.134 1.00 13.31 N ATOM 962 CA GLU A 225 3.335 -8.137 -5.817 1.00 51.31 C ATOM 963 C GLU A 225 4.267 -7.633 -4.721 1.00 3.23 C ATOM 964 O GLU A 225 5.492 -7.565 -4.897 1.00 10.41 O ATOM 965 CB GLU A 225 3.216 -9.650 -5.754 1.00 25.14 C ATOM 966 CG GLU A 225 4.540 -10.362 -5.933 1.00 13.35 C ATOM 967 CD GLU A 225 4.369 -11.837 -6.127 1.00 55.34 C ATOM 968 OE1 GLU A 225 4.219 -12.572 -5.130 1.00 2.53 O ATOM 969 OE2 GLU A 225 4.372 -12.286 -7.300 1.00 42.23 O ATOM 0 H GLU A 225 4.086 -8.517 -7.724 1.00 13.31 H new ATOM 0 HA GLU A 225 2.356 -7.688 -5.648 1.00 51.31 H new ATOM 0 HB2 GLU A 225 2.785 -9.934 -4.794 1.00 25.14 H new ATOM 0 HB3 GLU A 225 2.523 -9.986 -6.526 1.00 25.14 H new ATOM 0 HG2 GLU A 225 5.062 -9.943 -6.793 1.00 13.35 H new ATOM 0 HG3 GLU A 225 5.168 -10.183 -5.060 1.00 13.35 H new ATOM 976 N VAL A 226 3.692 -7.271 -3.603 1.00 75.51 N ATOM 977 CA VAL A 226 4.469 -6.793 -2.469 1.00 63.00 C ATOM 978 C VAL A 226 4.353 -7.732 -1.294 1.00 53.13 C ATOM 979 O VAL A 226 4.985 -7.532 -0.261 1.00 0.43 O ATOM 980 CB VAL A 226 4.078 -5.365 -2.036 1.00 31.20 C ATOM 981 CG1 VAL A 226 4.308 -4.393 -3.151 1.00 11.42 C ATOM 982 CG2 VAL A 226 2.650 -5.287 -1.577 1.00 34.34 C ATOM 0 H VAL A 226 2.685 -7.295 -3.445 1.00 75.51 H new ATOM 0 HA VAL A 226 5.505 -6.763 -2.805 1.00 63.00 H new ATOM 0 HB VAL A 226 4.715 -5.102 -1.192 1.00 31.20 H new ATOM 0 HG11 VAL A 226 4.026 -3.392 -2.825 1.00 11.42 H new ATOM 0 HG12 VAL A 226 5.362 -4.401 -3.429 1.00 11.42 H new ATOM 0 HG13 VAL A 226 3.704 -4.678 -4.012 1.00 11.42 H new ATOM 0 HG21 VAL A 226 2.418 -4.264 -1.282 1.00 34.34 H new ATOM 0 HG22 VAL A 226 1.990 -5.589 -2.390 1.00 34.34 H new ATOM 0 HG23 VAL A 226 2.505 -5.952 -0.726 1.00 34.34 H new ATOM 988 N ALA A 227 3.563 -8.764 -1.461 1.00 51.04 N ATOM 989 CA ALA A 227 3.371 -9.731 -0.414 1.00 74.31 C ATOM 990 C ALA A 227 4.603 -10.608 -0.283 1.00 5.32 C ATOM 991 O ALA A 227 4.811 -11.531 -1.074 1.00 51.03 O ATOM 992 CB ALA A 227 2.123 -10.567 -0.669 1.00 34.31 C ATOM 0 H ALA A 227 3.042 -8.954 -2.317 1.00 51.04 H new ATOM 0 HA ALA A 227 3.224 -9.202 0.528 1.00 74.31 H new ATOM 0 HB1 ALA A 227 1.999 -11.291 0.136 1.00 34.31 H new ATOM 0 HB2 ALA A 227 1.250 -9.915 -0.708 1.00 34.31 H new ATOM 0 HB3 ALA A 227 2.225 -11.094 -1.618 1.00 34.31 H new ATOM 998 N GLY A 228 5.439 -10.284 0.675 1.00 33.34 N ATOM 999 CA GLY A 228 6.637 -11.054 0.911 1.00 63.15 C ATOM 1000 C GLY A 228 7.867 -10.210 0.772 1.00 71.42 C ATOM 1001 O GLY A 228 8.951 -10.586 1.233 1.00 14.02 O ATOM 0 H GLY A 228 5.311 -9.491 1.304 1.00 33.34 H new ATOM 0 HA2 GLY A 228 6.602 -11.486 1.911 1.00 63.15 H new ATOM 0 HA3 GLY A 228 6.682 -11.884 0.206 1.00 63.15 H new ATOM 1005 N LYS A 229 7.702 -9.069 0.140 1.00 62.22 N ATOM 1006 CA LYS A 229 8.796 -8.128 -0.066 1.00 35.21 C ATOM 1007 C LYS A 229 9.020 -7.351 1.220 1.00 32.42 C ATOM 1008 O LYS A 229 8.149 -7.332 2.092 1.00 51.12 O ATOM 1009 CB LYS A 229 8.427 -7.138 -1.180 1.00 64.45 C ATOM 1010 CG LYS A 229 7.935 -7.786 -2.458 1.00 12.42 C ATOM 1011 CD LYS A 229 8.967 -8.689 -3.072 1.00 63.20 C ATOM 1012 CE LYS A 229 8.379 -9.436 -4.240 1.00 32.45 C ATOM 1013 NZ LYS A 229 9.366 -10.332 -4.875 1.00 50.44 N ATOM 0 H LYS A 229 6.810 -8.762 -0.247 1.00 62.22 H new ATOM 0 HA LYS A 229 9.697 -8.674 -0.346 1.00 35.21 H new ATOM 0 HB2 LYS A 229 7.655 -6.464 -0.809 1.00 64.45 H new ATOM 0 HB3 LYS A 229 9.300 -6.527 -1.410 1.00 64.45 H new ATOM 0 HG2 LYS A 229 7.032 -8.359 -2.248 1.00 12.42 H new ATOM 0 HG3 LYS A 229 7.661 -7.011 -3.174 1.00 12.42 H new ATOM 0 HD2 LYS A 229 9.824 -8.102 -3.401 1.00 63.20 H new ATOM 0 HD3 LYS A 229 9.332 -9.395 -2.326 1.00 63.20 H new ATOM 0 HE2 LYS A 229 7.523 -10.020 -3.903 1.00 32.45 H new ATOM 0 HE3 LYS A 229 8.009 -8.724 -4.977 1.00 32.45 H new ATOM 0 HZ1 LYS A 229 8.922 -10.827 -5.674 1.00 50.44 H new ATOM 0 HZ2 LYS A 229 10.172 -9.772 -5.220 1.00 50.44 H new ATOM 0 HZ3 LYS A 229 9.701 -11.029 -4.179 1.00 50.44 H new ATOM 1027 N THR A 230 10.160 -6.713 1.352 1.00 30.41 N ATOM 1028 CA THR A 230 10.397 -5.921 2.523 1.00 5.11 C ATOM 1029 C THR A 230 9.850 -4.546 2.260 1.00 62.42 C ATOM 1030 O THR A 230 9.500 -4.225 1.102 1.00 1.14 O ATOM 1031 CB THR A 230 11.893 -5.805 2.846 1.00 51.03 C ATOM 1032 OG1 THR A 230 12.567 -5.205 1.738 1.00 1.22 O ATOM 1033 CG2 THR A 230 12.497 -7.172 3.137 1.00 40.23 C ATOM 0 H THR A 230 10.921 -6.729 0.673 1.00 30.41 H new ATOM 0 HA THR A 230 9.912 -6.398 3.374 1.00 5.11 H new ATOM 0 HB THR A 230 12.012 -5.186 3.735 1.00 51.03 H new ATOM 0 HG1 THR A 230 13.503 -5.040 1.975 1.00 1.22 H new ATOM 0 HG21 THR A 230 13.558 -7.061 3.363 1.00 40.23 H new ATOM 0 HG22 THR A 230 11.989 -7.620 3.991 1.00 40.23 H new ATOM 0 HG23 THR A 230 12.377 -7.816 2.266 1.00 40.23 H new ATOM 1039 N LEU A 231 9.794 -3.716 3.269 1.00 2.34 N ATOM 1040 CA LEU A 231 9.282 -2.392 3.076 1.00 4.21 C ATOM 1041 C LEU A 231 10.294 -1.631 2.184 1.00 43.23 C ATOM 1042 O LEU A 231 9.918 -0.824 1.328 1.00 43.52 O ATOM 1043 CB LEU A 231 9.094 -1.688 4.427 1.00 74.11 C ATOM 1044 CG LEU A 231 7.926 -0.687 4.539 1.00 32.34 C ATOM 1045 CD1 LEU A 231 7.950 0.035 5.863 1.00 12.12 C ATOM 1046 CD2 LEU A 231 7.889 0.287 3.395 1.00 14.02 C ATOM 0 H LEU A 231 10.093 -3.933 4.220 1.00 2.34 H new ATOM 0 HA LEU A 231 8.305 -2.420 2.593 1.00 4.21 H new ATOM 0 HB2 LEU A 231 8.959 -2.453 5.192 1.00 74.11 H new ATOM 0 HB3 LEU A 231 10.017 -1.159 4.665 1.00 74.11 H new ATOM 0 HG LEU A 231 7.008 -1.273 4.485 1.00 32.34 H new ATOM 0 HD11 LEU A 231 7.115 0.733 5.912 1.00 12.12 H new ATOM 0 HD12 LEU A 231 7.866 -0.689 6.674 1.00 12.12 H new ATOM 0 HD13 LEU A 231 8.887 0.583 5.962 1.00 12.12 H new ATOM 0 HD21 LEU A 231 7.048 0.968 3.524 1.00 14.02 H new ATOM 0 HD22 LEU A 231 8.818 0.857 3.373 1.00 14.02 H new ATOM 0 HD23 LEU A 231 7.775 -0.257 2.457 1.00 14.02 H new ATOM 1054 N ASP A 232 11.576 -1.944 2.367 1.00 11.20 N ATOM 1055 CA ASP A 232 12.650 -1.361 1.553 1.00 62.23 C ATOM 1056 C ASP A 232 12.419 -1.673 0.084 1.00 1.40 C ATOM 1057 O ASP A 232 12.493 -0.778 -0.774 1.00 4.14 O ATOM 1058 CB ASP A 232 14.038 -1.889 1.967 1.00 4.35 C ATOM 1059 CG ASP A 232 14.448 -1.506 3.368 1.00 42.10 C ATOM 1060 OD1 ASP A 232 14.150 -2.260 4.311 1.00 51.43 O ATOM 1061 OD2 ASP A 232 15.090 -0.458 3.548 1.00 24.21 O ATOM 0 H ASP A 232 11.901 -2.602 3.076 1.00 11.20 H new ATOM 0 HA ASP A 232 12.631 -0.284 1.717 1.00 62.23 H new ATOM 0 HB2 ASP A 232 14.042 -2.976 1.883 1.00 4.35 H new ATOM 0 HB3 ASP A 232 14.783 -1.512 1.266 1.00 4.35 H new ATOM 1066 N GLN A 233 12.122 -2.934 -0.207 1.00 2.35 N ATOM 1067 CA GLN A 233 11.855 -3.351 -1.567 1.00 53.04 C ATOM 1068 C GLN A 233 10.610 -2.720 -2.172 1.00 73.15 C ATOM 1069 O GLN A 233 10.680 -2.162 -3.260 1.00 30.55 O ATOM 1070 CB GLN A 233 11.883 -4.880 -1.768 1.00 54.21 C ATOM 1071 CG GLN A 233 13.281 -5.457 -2.045 1.00 64.00 C ATOM 1072 CD GLN A 233 14.295 -5.241 -0.937 1.00 21.03 C ATOM 1073 OE1 GLN A 233 14.991 -4.225 -0.897 1.00 30.33 O ATOM 1074 NE2 GLN A 233 14.414 -6.201 -0.063 1.00 13.14 N ATOM 0 H GLN A 233 12.061 -3.681 0.485 1.00 2.35 H new ATOM 0 HA GLN A 233 12.699 -2.956 -2.131 1.00 53.04 H new ATOM 0 HB2 GLN A 233 11.475 -5.359 -0.878 1.00 54.21 H new ATOM 0 HB3 GLN A 233 11.226 -5.138 -2.598 1.00 54.21 H new ATOM 0 HG2 GLN A 233 13.186 -6.528 -2.227 1.00 64.00 H new ATOM 0 HG3 GLN A 233 13.667 -5.011 -2.962 1.00 64.00 H new ATOM 0 HE21 GLN A 233 13.820 -7.027 -0.129 1.00 13.14 H new ATOM 0 HE22 GLN A 233 15.102 -6.126 0.687 1.00 13.14 H new ATOM 1082 N VAL A 234 9.494 -2.756 -1.458 1.00 11.41 N ATOM 1083 CA VAL A 234 8.223 -2.239 -1.999 1.00 14.20 C ATOM 1084 C VAL A 234 8.287 -0.751 -2.323 1.00 64.02 C ATOM 1085 O VAL A 234 7.684 -0.286 -3.292 1.00 24.15 O ATOM 1086 CB VAL A 234 7.023 -2.513 -1.075 1.00 40.25 C ATOM 1087 CG1 VAL A 234 6.931 -3.970 -0.774 1.00 61.54 C ATOM 1088 CG2 VAL A 234 7.096 -1.712 0.194 1.00 32.53 C ATOM 0 H VAL A 234 9.431 -3.131 -0.512 1.00 11.41 H new ATOM 0 HA VAL A 234 8.070 -2.790 -2.927 1.00 14.20 H new ATOM 0 HB VAL A 234 6.121 -2.200 -1.600 1.00 40.25 H new ATOM 0 HG11 VAL A 234 6.079 -4.153 -0.120 1.00 61.54 H new ATOM 0 HG12 VAL A 234 6.802 -4.526 -1.703 1.00 61.54 H new ATOM 0 HG13 VAL A 234 7.845 -4.298 -0.279 1.00 61.54 H new ATOM 0 HG21 VAL A 234 6.230 -1.936 0.816 1.00 32.53 H new ATOM 0 HG22 VAL A 234 8.007 -1.969 0.734 1.00 32.53 H new ATOM 0 HG23 VAL A 234 7.104 -0.649 -0.047 1.00 32.53 H new ATOM 1094 N THR A 235 9.045 -0.030 -1.539 1.00 71.34 N ATOM 1095 CA THR A 235 9.121 1.400 -1.656 1.00 74.23 C ATOM 1096 C THR A 235 9.840 1.772 -2.923 1.00 33.10 C ATOM 1097 O THR A 235 9.463 2.713 -3.603 1.00 21.13 O ATOM 1098 CB THR A 235 9.817 2.034 -0.440 1.00 35.33 C ATOM 1099 OG1 THR A 235 9.132 1.630 0.743 1.00 71.02 O ATOM 1100 CG2 THR A 235 9.773 3.552 -0.529 1.00 53.23 C ATOM 0 H THR A 235 9.628 -0.421 -0.799 1.00 71.34 H new ATOM 0 HA THR A 235 8.103 1.789 -1.690 1.00 74.23 H new ATOM 0 HB THR A 235 10.857 1.707 -0.419 1.00 35.33 H new ATOM 0 HG1 THR A 235 9.265 0.670 0.886 1.00 71.02 H new ATOM 0 HG21 THR A 235 10.270 3.982 0.340 1.00 53.23 H new ATOM 0 HG22 THR A 235 10.281 3.878 -1.436 1.00 53.23 H new ATOM 0 HG23 THR A 235 8.735 3.885 -0.555 1.00 53.23 H new ATOM 1106 N ASP A 236 10.836 0.977 -3.279 1.00 14.25 N ATOM 1107 CA ASP A 236 11.606 1.238 -4.490 1.00 35.51 C ATOM 1108 C ASP A 236 10.700 1.086 -5.686 1.00 23.44 C ATOM 1109 O ASP A 236 10.846 1.775 -6.706 1.00 20.14 O ATOM 1110 CB ASP A 236 12.764 0.260 -4.623 1.00 1.41 C ATOM 1111 CG ASP A 236 13.682 0.603 -5.777 1.00 1.22 C ATOM 1112 OD1 ASP A 236 14.622 1.397 -5.576 1.00 24.32 O ATOM 1113 OD2 ASP A 236 13.488 0.076 -6.888 1.00 14.45 O ATOM 0 H ASP A 236 11.130 0.153 -2.755 1.00 14.25 H new ATOM 0 HA ASP A 236 12.009 2.249 -4.435 1.00 35.51 H new ATOM 0 HB2 ASP A 236 13.338 0.253 -3.696 1.00 1.41 H new ATOM 0 HB3 ASP A 236 12.371 -0.747 -4.762 1.00 1.41 H new ATOM 1118 N MET A 237 9.725 0.201 -5.541 1.00 51.42 N ATOM 1119 CA MET A 237 8.797 -0.061 -6.599 1.00 51.12 C ATOM 1120 C MET A 237 7.837 1.110 -6.690 1.00 11.01 C ATOM 1121 O MET A 237 7.503 1.551 -7.754 1.00 71.24 O ATOM 1122 CB MET A 237 8.073 -1.425 -6.400 1.00 54.13 C ATOM 1123 CG MET A 237 9.031 -2.471 -5.780 1.00 12.43 C ATOM 1124 SD MET A 237 8.677 -4.225 -6.123 1.00 72.11 S ATOM 1125 CE MET A 237 7.172 -4.526 -5.224 1.00 13.31 C ATOM 0 H MET A 237 9.567 -0.343 -4.693 1.00 51.42 H new ATOM 0 HA MET A 237 9.326 -0.154 -7.548 1.00 51.12 H new ATOM 0 HB2 MET A 237 7.206 -1.291 -5.753 1.00 54.13 H new ATOM 0 HB3 MET A 237 7.702 -1.788 -7.358 1.00 54.13 H new ATOM 0 HG2 MET A 237 10.040 -2.255 -6.130 1.00 12.43 H new ATOM 0 HG3 MET A 237 9.031 -2.331 -4.699 1.00 12.43 H new ATOM 0 HE1 MET A 237 7.291 -5.413 -4.601 1.00 13.31 H new ATOM 0 HE2 MET A 237 6.947 -3.667 -4.592 1.00 13.31 H new ATOM 0 HE3 MET A 237 6.354 -4.683 -5.927 1.00 13.31 H new ATOM 1135 N MET A 238 7.470 1.656 -5.541 1.00 41.44 N ATOM 1136 CA MET A 238 6.576 2.822 -5.475 1.00 64.31 C ATOM 1137 C MET A 238 7.276 4.081 -5.998 1.00 21.00 C ATOM 1138 O MET A 238 6.648 4.940 -6.607 1.00 13.24 O ATOM 1139 CB MET A 238 6.095 3.055 -4.045 1.00 21.01 C ATOM 1140 CG MET A 238 5.335 1.904 -3.459 1.00 62.35 C ATOM 1141 SD MET A 238 4.840 2.218 -1.775 1.00 22.53 S ATOM 1142 CE MET A 238 4.183 0.624 -1.352 1.00 53.24 C ATOM 0 H MET A 238 7.776 1.313 -4.630 1.00 41.44 H new ATOM 0 HA MET A 238 5.714 2.613 -6.108 1.00 64.31 H new ATOM 0 HB2 MET A 238 6.958 3.266 -3.413 1.00 21.01 H new ATOM 0 HB3 MET A 238 5.461 3.942 -4.026 1.00 21.01 H new ATOM 0 HG2 MET A 238 4.451 1.707 -4.066 1.00 62.35 H new ATOM 0 HG3 MET A 238 5.953 1.006 -3.494 1.00 62.35 H new ATOM 0 HE1 MET A 238 3.179 0.741 -0.943 1.00 53.24 H new ATOM 0 HE2 MET A 238 4.141 -0.001 -2.244 1.00 53.24 H new ATOM 0 HE3 MET A 238 4.825 0.152 -0.608 1.00 53.24 H new ATOM 1152 N VAL A 239 8.577 4.182 -5.752 1.00 4.41 N ATOM 1153 CA VAL A 239 9.372 5.289 -6.253 1.00 31.23 C ATOM 1154 C VAL A 239 9.467 5.224 -7.775 1.00 62.44 C ATOM 1155 O VAL A 239 9.383 6.238 -8.461 1.00 65.20 O ATOM 1156 CB VAL A 239 10.791 5.307 -5.624 1.00 51.23 C ATOM 1157 CG1 VAL A 239 11.624 6.411 -6.224 1.00 40.34 C ATOM 1158 CG2 VAL A 239 10.694 5.498 -4.125 1.00 71.52 C ATOM 0 H VAL A 239 9.104 3.503 -5.203 1.00 4.41 H new ATOM 0 HA VAL A 239 8.872 6.214 -5.965 1.00 31.23 H new ATOM 0 HB VAL A 239 11.271 4.351 -5.835 1.00 51.23 H new ATOM 0 HG11 VAL A 239 12.615 6.407 -5.770 1.00 40.34 H new ATOM 0 HG12 VAL A 239 11.717 6.254 -7.299 1.00 40.34 H new ATOM 0 HG13 VAL A 239 11.144 7.372 -6.038 1.00 40.34 H new ATOM 0 HG21 VAL A 239 11.695 5.509 -3.694 1.00 71.52 H new ATOM 0 HG22 VAL A 239 10.196 6.443 -3.910 1.00 71.52 H new ATOM 0 HG23 VAL A 239 10.121 4.679 -3.690 1.00 71.52 H new ATOM 1164 N ALA A 240 9.622 4.027 -8.291 1.00 75.24 N ATOM 1165 CA ALA A 240 9.656 3.828 -9.725 1.00 53.21 C ATOM 1166 C ALA A 240 8.278 4.113 -10.306 1.00 2.42 C ATOM 1167 O ALA A 240 8.134 4.807 -11.322 1.00 41.45 O ATOM 1168 CB ALA A 240 10.117 2.414 -10.045 1.00 13.14 C ATOM 0 H ALA A 240 9.727 3.175 -7.741 1.00 75.24 H new ATOM 0 HA ALA A 240 10.369 4.517 -10.179 1.00 53.21 H new ATOM 0 HB1 ALA A 240 10.139 2.274 -11.126 1.00 13.14 H new ATOM 0 HB2 ALA A 240 11.116 2.256 -9.638 1.00 13.14 H new ATOM 0 HB3 ALA A 240 9.427 1.697 -9.601 1.00 13.14 H new ATOM 1174 N ASN A 241 7.271 3.623 -9.616 1.00 31.42 N ATOM 1175 CA ASN A 241 5.877 3.806 -9.994 1.00 3.42 C ATOM 1176 C ASN A 241 5.342 5.187 -9.590 1.00 34.25 C ATOM 1177 O ASN A 241 4.167 5.385 -9.558 1.00 2.21 O ATOM 1178 CB ASN A 241 5.015 2.704 -9.349 1.00 61.03 C ATOM 1179 CG ASN A 241 5.320 1.311 -9.885 1.00 14.15 C ATOM 1180 OD1 ASN A 241 5.624 1.137 -11.053 1.00 1.13 O ATOM 1181 ND2 ASN A 241 5.283 0.317 -9.019 1.00 73.21 N ATOM 0 H ASN A 241 7.394 3.077 -8.763 1.00 31.42 H new ATOM 0 HA ASN A 241 5.820 3.738 -11.080 1.00 3.42 H new ATOM 0 HB2 ASN A 241 5.172 2.714 -8.270 1.00 61.03 H new ATOM 0 HB3 ASN A 241 3.962 2.929 -9.519 1.00 61.03 H new ATOM 0 HD21 ASN A 241 5.513 -0.630 -9.320 1.00 73.21 H new ATOM 0 HD22 ASN A 241 5.025 0.495 -8.049 1.00 73.21 H new ATOM 1187 N SER A 242 6.214 6.144 -9.315 1.00 45.33 N ATOM 1188 CA SER A 242 5.763 7.504 -8.951 1.00 64.22 C ATOM 1189 C SER A 242 5.111 8.221 -10.127 1.00 0.51 C ATOM 1190 O SER A 242 4.335 9.150 -9.942 1.00 15.14 O ATOM 1191 CB SER A 242 6.878 8.318 -8.321 1.00 10.20 C ATOM 1192 OG SER A 242 7.307 7.702 -7.102 1.00 60.22 O ATOM 0 H SER A 242 7.226 6.021 -9.333 1.00 45.33 H new ATOM 0 HA SER A 242 4.990 7.394 -8.190 1.00 64.22 H new ATOM 0 HB2 SER A 242 7.717 8.397 -9.013 1.00 10.20 H new ATOM 0 HB3 SER A 242 6.531 9.332 -8.123 1.00 10.20 H new ATOM 0 HG SER A 242 6.992 6.774 -7.076 1.00 60.22 H new ATOM 1198 N SER A 243 5.436 7.786 -11.329 1.00 71.41 N ATOM 1199 CA SER A 243 4.844 8.330 -12.528 1.00 15.31 C ATOM 1200 C SER A 243 3.332 8.013 -12.584 1.00 1.40 C ATOM 1201 O SER A 243 2.574 8.692 -13.281 1.00 31.20 O ATOM 1202 CB SER A 243 5.572 7.769 -13.738 1.00 71.14 C ATOM 1203 OG SER A 243 5.596 6.351 -13.687 1.00 73.15 O ATOM 0 H SER A 243 6.118 7.046 -11.498 1.00 71.41 H new ATOM 0 HA SER A 243 4.945 9.415 -12.526 1.00 15.31 H new ATOM 0 HB2 SER A 243 5.078 8.098 -14.652 1.00 71.14 H new ATOM 0 HB3 SER A 243 6.591 8.155 -13.769 1.00 71.14 H new ATOM 0 HG SER A 243 6.066 6.003 -14.473 1.00 73.15 H new ATOM 1209 N ASN A 244 2.934 6.970 -11.857 1.00 50.51 N ATOM 1210 CA ASN A 244 1.546 6.526 -11.690 1.00 40.00 C ATOM 1211 C ASN A 244 1.563 5.291 -10.833 1.00 33.54 C ATOM 1212 O ASN A 244 1.915 4.194 -11.294 1.00 4.12 O ATOM 1213 CB ASN A 244 0.837 6.262 -13.024 1.00 63.34 C ATOM 1214 CG ASN A 244 -0.597 5.787 -12.849 1.00 21.43 C ATOM 1215 OD1 ASN A 244 -0.876 4.588 -12.834 1.00 74.22 O ATOM 1216 ND2 ASN A 244 -1.507 6.710 -12.685 1.00 32.12 N ATOM 0 H ASN A 244 3.595 6.385 -11.346 1.00 50.51 H new ATOM 0 HA ASN A 244 0.975 7.323 -11.213 1.00 40.00 H new ATOM 0 HB2 ASN A 244 0.842 7.175 -13.619 1.00 63.34 H new ATOM 0 HB3 ASN A 244 1.396 5.513 -13.585 1.00 63.34 H new ATOM 0 HD21 ASN A 244 -2.481 6.445 -12.539 1.00 32.12 H new ATOM 0 HD22 ASN A 244 -1.243 7.695 -12.703 1.00 32.12 H new ATOM 1222 N LEU A 245 1.249 5.471 -9.587 1.00 54.41 N ATOM 1223 CA LEU A 245 1.390 4.442 -8.627 1.00 44.41 C ATOM 1224 C LEU A 245 0.115 3.626 -8.543 1.00 52.32 C ATOM 1225 O LEU A 245 -0.872 4.072 -8.017 1.00 1.14 O ATOM 1226 CB LEU A 245 1.723 5.085 -7.263 1.00 22.25 C ATOM 1227 CG LEU A 245 2.437 4.200 -6.241 1.00 11.21 C ATOM 1228 CD1 LEU A 245 2.794 4.960 -4.994 1.00 23.21 C ATOM 1229 CD2 LEU A 245 1.634 3.010 -5.896 1.00 14.42 C ATOM 0 H LEU A 245 0.885 6.348 -9.213 1.00 54.41 H new ATOM 0 HA LEU A 245 2.197 3.768 -8.916 1.00 44.41 H new ATOM 0 HB2 LEU A 245 2.342 5.964 -7.444 1.00 22.25 H new ATOM 0 HB3 LEU A 245 0.793 5.437 -6.817 1.00 22.25 H new ATOM 0 HG LEU A 245 3.362 3.867 -6.713 1.00 11.21 H new ATOM 0 HD11 LEU A 245 3.299 4.294 -4.294 1.00 23.21 H new ATOM 0 HD12 LEU A 245 3.455 5.788 -5.249 1.00 23.21 H new ATOM 0 HD13 LEU A 245 1.886 5.349 -4.533 1.00 23.21 H new ATOM 0 HD21 LEU A 245 2.174 2.405 -5.167 1.00 14.42 H new ATOM 0 HD22 LEU A 245 0.681 3.325 -5.471 1.00 14.42 H new ATOM 0 HD23 LEU A 245 1.453 2.420 -6.795 1.00 14.42 H new ATOM 1237 N ILE A 246 0.141 2.447 -9.062 1.00 24.14 N ATOM 1238 CA ILE A 246 -1.003 1.586 -8.965 1.00 72.24 C ATOM 1239 C ILE A 246 -0.831 0.661 -7.767 1.00 20.45 C ATOM 1240 O ILE A 246 0.189 0.059 -7.614 1.00 31.04 O ATOM 1241 CB ILE A 246 -1.201 0.743 -10.265 1.00 41.43 C ATOM 1242 CG1 ILE A 246 -1.404 1.671 -11.477 1.00 31.42 C ATOM 1243 CG2 ILE A 246 -2.391 -0.201 -10.115 1.00 33.21 C ATOM 1244 CD1 ILE A 246 -1.603 0.954 -12.799 1.00 21.50 C ATOM 0 H ILE A 246 0.938 2.050 -9.559 1.00 24.14 H new ATOM 0 HA ILE A 246 -1.890 2.206 -8.837 1.00 72.24 H new ATOM 0 HB ILE A 246 -0.305 0.145 -10.429 1.00 41.43 H new ATOM 0 HG12 ILE A 246 -2.270 2.306 -11.290 1.00 31.42 H new ATOM 0 HG13 ILE A 246 -0.539 2.329 -11.563 1.00 31.42 H new ATOM 0 HG21 ILE A 246 -2.514 -0.780 -11.030 1.00 33.21 H new ATOM 0 HG22 ILE A 246 -2.216 -0.877 -9.278 1.00 33.21 H new ATOM 0 HG23 ILE A 246 -3.295 0.379 -9.929 1.00 33.21 H new ATOM 0 HD11 ILE A 246 -1.738 1.687 -13.594 1.00 21.50 H new ATOM 0 HD12 ILE A 246 -0.728 0.341 -13.016 1.00 21.50 H new ATOM 0 HD13 ILE A 246 -2.486 0.318 -12.739 1.00 21.50 H new ATOM 1251 N ILE A 247 -1.797 0.602 -6.905 1.00 62.22 N ATOM 1252 CA ILE A 247 -1.746 -0.318 -5.773 1.00 63.24 C ATOM 1253 C ILE A 247 -3.028 -1.098 -5.612 1.00 3.02 C ATOM 1254 O ILE A 247 -4.125 -0.598 -5.889 1.00 3.21 O ATOM 1255 CB ILE A 247 -1.304 0.376 -4.418 1.00 60.03 C ATOM 1256 CG1 ILE A 247 0.210 0.513 -4.363 1.00 71.44 C ATOM 1257 CG2 ILE A 247 -1.807 -0.353 -3.191 1.00 41.25 C ATOM 1258 CD1 ILE A 247 0.737 1.194 -3.115 1.00 13.32 C ATOM 0 H ILE A 247 -2.640 1.175 -6.949 1.00 62.22 H new ATOM 0 HA ILE A 247 -0.960 -1.034 -6.014 1.00 63.24 H new ATOM 0 HB ILE A 247 -1.762 1.365 -4.409 1.00 60.03 H new ATOM 0 HG12 ILE A 247 0.654 -0.480 -4.435 1.00 71.44 H new ATOM 0 HG13 ILE A 247 0.543 1.075 -5.236 1.00 71.44 H new ATOM 0 HG21 ILE A 247 -1.472 0.169 -2.295 1.00 41.25 H new ATOM 0 HG22 ILE A 247 -2.896 -0.384 -3.207 1.00 41.25 H new ATOM 0 HG23 ILE A 247 -1.415 -1.370 -3.186 1.00 41.25 H new ATOM 0 HD11 ILE A 247 1.825 1.248 -3.162 1.00 13.32 H new ATOM 0 HD12 ILE A 247 0.326 2.201 -3.049 1.00 13.32 H new ATOM 0 HD13 ILE A 247 0.440 0.623 -2.236 1.00 13.32 H new ATOM 1265 N THR A 248 -2.870 -2.340 -5.237 1.00 51.31 N ATOM 1266 CA THR A 248 -3.956 -3.192 -4.913 1.00 74.12 C ATOM 1267 C THR A 248 -3.918 -3.449 -3.421 1.00 5.03 C ATOM 1268 O THR A 248 -2.945 -3.986 -2.923 1.00 73.14 O ATOM 1269 CB THR A 248 -3.818 -4.533 -5.639 1.00 44.45 C ATOM 1270 OG1 THR A 248 -3.717 -4.295 -7.054 1.00 34.42 O ATOM 1271 CG2 THR A 248 -5.017 -5.431 -5.352 1.00 61.42 C ATOM 0 H THR A 248 -1.957 -2.786 -5.150 1.00 51.31 H new ATOM 0 HA THR A 248 -4.892 -2.720 -5.213 1.00 74.12 H new ATOM 0 HB THR A 248 -2.920 -5.037 -5.281 1.00 44.45 H new ATOM 0 HG1 THR A 248 -3.627 -5.150 -7.524 1.00 34.42 H new ATOM 0 HG21 THR A 248 -4.897 -6.378 -5.878 1.00 61.42 H new ATOM 0 HG22 THR A 248 -5.084 -5.618 -4.280 1.00 61.42 H new ATOM 0 HG23 THR A 248 -5.929 -4.940 -5.692 1.00 61.42 H new ATOM 1277 N VAL A 249 -4.929 -3.039 -2.720 1.00 53.03 N ATOM 1278 CA VAL A 249 -5.033 -3.324 -1.301 1.00 15.40 C ATOM 1279 C VAL A 249 -6.292 -4.098 -1.041 1.00 4.34 C ATOM 1280 O VAL A 249 -7.188 -4.161 -1.901 1.00 2.15 O ATOM 1281 CB VAL A 249 -4.988 -2.054 -0.346 1.00 24.14 C ATOM 1282 CG1 VAL A 249 -3.648 -1.352 -0.373 1.00 54.13 C ATOM 1283 CG2 VAL A 249 -6.117 -1.073 -0.641 1.00 42.21 C ATOM 0 H VAL A 249 -5.707 -2.500 -3.101 1.00 53.03 H new ATOM 0 HA VAL A 249 -4.142 -3.902 -1.055 1.00 15.40 H new ATOM 0 HB VAL A 249 -5.133 -2.438 0.664 1.00 24.14 H new ATOM 0 HG11 VAL A 249 -3.674 -0.493 0.297 1.00 54.13 H new ATOM 0 HG12 VAL A 249 -2.869 -2.042 -0.048 1.00 54.13 H new ATOM 0 HG13 VAL A 249 -3.434 -1.015 -1.387 1.00 54.13 H new ATOM 0 HG21 VAL A 249 -6.045 -0.222 0.036 1.00 42.21 H new ATOM 0 HG22 VAL A 249 -6.037 -0.725 -1.671 1.00 42.21 H new ATOM 0 HG23 VAL A 249 -7.077 -1.570 -0.499 1.00 42.21 H new ATOM 1289 N LYS A 250 -6.334 -4.711 0.087 1.00 42.22 N ATOM 1290 CA LYS A 250 -7.482 -5.417 0.560 1.00 25.20 C ATOM 1291 C LYS A 250 -7.723 -5.043 2.003 1.00 0.11 C ATOM 1292 O LYS A 250 -6.775 -4.987 2.788 1.00 3.13 O ATOM 1293 CB LYS A 250 -7.290 -6.940 0.475 1.00 71.33 C ATOM 1294 CG LYS A 250 -5.986 -7.422 1.106 1.00 32.32 C ATOM 1295 CD LYS A 250 -6.007 -8.901 1.469 1.00 44.20 C ATOM 1296 CE LYS A 250 -7.002 -9.166 2.609 1.00 12.14 C ATOM 1297 NZ LYS A 250 -7.004 -10.574 3.050 1.00 2.22 N ATOM 0 H LYS A 250 -5.545 -4.739 0.733 1.00 42.22 H new ATOM 0 HA LYS A 250 -8.330 -5.143 -0.068 1.00 25.20 H new ATOM 0 HB2 LYS A 250 -8.128 -7.433 0.968 1.00 71.33 H new ATOM 0 HB3 LYS A 250 -7.313 -7.244 -0.572 1.00 71.33 H new ATOM 0 HG2 LYS A 250 -5.164 -7.236 0.414 1.00 32.32 H new ATOM 0 HG3 LYS A 250 -5.786 -6.837 2.004 1.00 32.32 H new ATOM 0 HD2 LYS A 250 -6.282 -9.491 0.595 1.00 44.20 H new ATOM 0 HD3 LYS A 250 -5.009 -9.221 1.769 1.00 44.20 H new ATOM 0 HE2 LYS A 250 -6.756 -8.525 3.456 1.00 12.14 H new ATOM 0 HE3 LYS A 250 -8.005 -8.891 2.281 1.00 12.14 H new ATOM 0 HZ1 LYS A 250 -7.693 -10.696 3.820 1.00 2.22 H new ATOM 0 HZ2 LYS A 250 -7.265 -11.187 2.252 1.00 2.22 H new ATOM 0 HZ3 LYS A 250 -6.056 -10.833 3.390 1.00 2.22 H new ATOM 1311 N PRO A 251 -8.957 -4.737 2.372 1.00 61.44 N ATOM 1312 CA PRO A 251 -9.307 -4.492 3.750 1.00 70.41 C ATOM 1313 C PRO A 251 -8.930 -5.684 4.616 1.00 50.31 C ATOM 1314 O PRO A 251 -9.235 -6.825 4.266 1.00 54.14 O ATOM 1315 CB PRO A 251 -10.831 -4.355 3.712 1.00 71.33 C ATOM 1316 CG PRO A 251 -11.129 -3.908 2.339 1.00 60.24 C ATOM 1317 CD PRO A 251 -10.101 -4.554 1.478 1.00 42.34 C ATOM 0 HA PRO A 251 -8.798 -3.621 4.164 1.00 70.41 H new ATOM 0 HB2 PRO A 251 -11.320 -5.303 3.935 1.00 71.33 H new ATOM 0 HB3 PRO A 251 -11.183 -3.633 4.449 1.00 71.33 H new ATOM 0 HG2 PRO A 251 -12.134 -4.204 2.039 1.00 60.24 H new ATOM 0 HG3 PRO A 251 -11.080 -2.822 2.261 1.00 60.24 H new ATOM 0 HD2 PRO A 251 -10.454 -5.506 1.081 1.00 42.34 H new ATOM 0 HD3 PRO A 251 -9.844 -3.927 0.624 1.00 42.34 H new