USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 396 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 23 TYR OH : rot 180:sc= 1.1 USER MOD Set 1.2: A 44 LYS NZ :NH3+ 157:sc= 1.28 (180deg=0) USER MOD Single : A 3 SER OG : rot 37:sc= 0.364 USER MOD Single : A 5 THR OG1 : rot 53:sc= 0.676 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00649) USER MOD Single : A 27 SER OG : rot 81:sc= 0.701 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.45) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.612 X(o=-0.61,f=-0.55) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 43 ASN : amide:sc= -1.06 K(o=-1.1,f=-9.8!) USER MOD Single : A 46 GLN : amide:sc= 0.0959 X(o=0.096,f=-0.35) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -9.710 6.534 -4.559 1.00 62.33 N ATOM 31 CA SER A 3 -9.152 6.357 -5.902 1.00 2.44 C ATOM 32 C SER A 3 -8.294 5.088 -5.973 1.00 3.11 C ATOM 33 O SER A 3 -7.300 4.964 -5.252 1.00 43.32 O ATOM 34 CB SER A 3 -8.307 7.579 -6.302 1.00 33.32 C ATOM 35 OG SER A 3 -7.255 7.816 -5.376 1.00 31.40 O ATOM 0 HA SER A 3 -9.984 6.257 -6.599 1.00 2.44 H new ATOM 0 HB2 SER A 3 -7.888 7.422 -7.296 1.00 33.32 H new ATOM 0 HB3 SER A 3 -8.946 8.460 -6.360 1.00 33.32 H new ATOM 0 HG SER A 3 -6.893 6.960 -5.066 1.00 31.40 H new ATOM 41 N PRO A 4 -8.662 4.126 -6.847 1.00 52.44 N ATOM 42 CA PRO A 4 -7.927 2.857 -6.997 1.00 61.13 C ATOM 43 C PRO A 4 -6.415 3.075 -7.179 1.00 20.34 C ATOM 44 O PRO A 4 -5.983 3.743 -8.119 1.00 44.25 O ATOM 45 CB PRO A 4 -8.553 2.217 -8.256 1.00 0.23 C ATOM 46 CG PRO A 4 -9.372 3.296 -8.889 1.00 41.01 C ATOM 47 CD PRO A 4 -9.807 4.195 -7.766 1.00 24.52 C ATOM 0 HA PRO A 4 -8.011 2.229 -6.110 1.00 61.13 H new ATOM 0 HB2 PRO A 4 -7.782 1.858 -8.938 1.00 0.23 H new ATOM 0 HB3 PRO A 4 -9.171 1.358 -7.994 1.00 0.23 H new ATOM 0 HG2 PRO A 4 -8.789 3.847 -9.627 1.00 41.01 H new ATOM 0 HG3 PRO A 4 -10.233 2.878 -9.411 1.00 41.01 H new ATOM 0 HD2 PRO A 4 -9.992 5.213 -8.109 1.00 24.52 H new ATOM 0 HD3 PRO A 4 -10.726 3.844 -7.297 1.00 24.52 H new ATOM 55 N THR A 5 -5.622 2.510 -6.273 1.00 52.32 N ATOM 56 CA THR A 5 -4.167 2.732 -6.252 1.00 65.51 C ATOM 57 C THR A 5 -3.387 1.409 -6.279 1.00 32.42 C ATOM 58 O THR A 5 -3.694 0.489 -5.526 1.00 71.52 O ATOM 59 CB THR A 5 -3.746 3.514 -4.982 1.00 43.33 C ATOM 60 OG1 THR A 5 -4.444 4.768 -4.909 1.00 50.01 O ATOM 61 CG2 THR A 5 -2.242 3.771 -4.962 1.00 53.42 C ATOM 0 H THR A 5 -5.959 1.890 -5.536 1.00 52.32 H new ATOM 0 HA THR A 5 -3.930 3.308 -7.146 1.00 65.51 H new ATOM 0 HB THR A 5 -4.007 2.901 -4.119 1.00 43.33 H new ATOM 0 HG1 THR A 5 -5.408 4.611 -4.990 1.00 50.01 H new ATOM 0 HG21 THR A 5 -1.979 4.321 -4.059 1.00 53.42 H new ATOM 0 HG22 THR A 5 -1.710 2.820 -4.975 1.00 53.42 H new ATOM 0 HG23 THR A 5 -1.961 4.356 -5.838 1.00 53.42 H new ATOM 69 N VAL A 6 -2.372 1.319 -7.138 1.00 14.11 N ATOM 70 CA VAL A 6 -1.488 0.149 -7.157 1.00 24.13 C ATOM 71 C VAL A 6 -0.178 0.444 -6.410 1.00 50.23 C ATOM 72 O VAL A 6 0.521 1.420 -6.705 1.00 75.53 O ATOM 73 CB VAL A 6 -1.175 -0.332 -8.603 1.00 51.45 C ATOM 74 CG1 VAL A 6 -0.415 0.730 -9.401 1.00 23.22 C ATOM 75 CG2 VAL A 6 -0.407 -1.657 -8.579 1.00 70.41 C ATOM 0 H VAL A 6 -2.141 2.036 -7.826 1.00 14.11 H new ATOM 0 HA VAL A 6 -2.021 -0.655 -6.649 1.00 24.13 H new ATOM 0 HB VAL A 6 -2.126 -0.497 -9.109 1.00 51.45 H new ATOM 0 HG11 VAL A 6 -0.215 0.357 -10.405 1.00 23.22 H new ATOM 0 HG12 VAL A 6 -1.016 1.637 -9.464 1.00 23.22 H new ATOM 0 HG13 VAL A 6 0.528 0.954 -8.903 1.00 23.22 H new ATOM 0 HG21 VAL A 6 -0.198 -1.975 -9.600 1.00 70.41 H new ATOM 0 HG22 VAL A 6 0.532 -1.524 -8.042 1.00 70.41 H new ATOM 0 HG23 VAL A 6 -1.007 -2.416 -8.078 1.00 70.41 H new ATOM 85 N ILE A 7 0.136 -0.385 -5.424 1.00 3.33 N ATOM 86 CA ILE A 7 1.364 -0.228 -4.645 1.00 12.13 C ATOM 87 C ILE A 7 2.430 -1.236 -5.091 1.00 3.43 C ATOM 88 O ILE A 7 2.220 -2.451 -5.037 1.00 15.04 O ATOM 89 CB ILE A 7 1.099 -0.397 -3.128 1.00 2.04 C ATOM 90 CG1 ILE A 7 0.058 0.631 -2.655 1.00 22.11 C ATOM 91 CG2 ILE A 7 2.399 -0.260 -2.329 1.00 71.34 C ATOM 92 CD1 ILE A 7 -0.266 0.542 -1.178 1.00 51.43 C ATOM 0 H ILE A 7 -0.442 -1.176 -5.141 1.00 3.33 H new ATOM 0 HA ILE A 7 1.729 0.783 -4.825 1.00 12.13 H new ATOM 0 HB ILE A 7 0.704 -1.398 -2.955 1.00 2.04 H new ATOM 0 HG12 ILE A 7 0.425 1.633 -2.877 1.00 22.11 H new ATOM 0 HG13 ILE A 7 -0.860 0.494 -3.227 1.00 22.11 H new ATOM 0 HG21 ILE A 7 2.188 -0.382 -1.267 1.00 71.34 H new ATOM 0 HG22 ILE A 7 3.105 -1.026 -2.649 1.00 71.34 H new ATOM 0 HG23 ILE A 7 2.830 0.726 -2.502 1.00 71.34 H new ATOM 0 HD11 ILE A 7 -1.007 1.299 -0.922 1.00 51.43 H new ATOM 0 HD12 ILE A 7 -0.664 -0.447 -0.952 1.00 51.43 H new ATOM 0 HD13 ILE A 7 0.640 0.710 -0.596 1.00 51.43 H new ATOM 104 N THR A 8 3.566 -0.720 -5.546 1.00 4.40 N ATOM 105 CA THR A 8 4.693 -1.559 -5.967 1.00 64.12 C ATOM 106 C THR A 8 5.757 -1.637 -4.864 1.00 25.34 C ATOM 107 O THR A 8 6.328 -0.622 -4.467 1.00 71.15 O ATOM 108 CB THR A 8 5.344 -1.024 -7.268 1.00 22.13 C ATOM 109 OG1 THR A 8 4.355 -0.933 -8.311 1.00 5.14 O ATOM 110 CG2 THR A 8 6.483 -1.931 -7.730 1.00 2.31 C ATOM 0 H THR A 8 3.736 0.282 -5.635 1.00 4.40 H new ATOM 0 HA THR A 8 4.296 -2.556 -6.159 1.00 64.12 H new ATOM 0 HB THR A 8 5.752 -0.035 -7.057 1.00 22.13 H new ATOM 0 HG1 THR A 8 4.773 -0.593 -9.129 1.00 5.14 H new ATOM 0 HG21 THR A 8 6.920 -1.530 -8.645 1.00 2.31 H new ATOM 0 HG22 THR A 8 7.247 -1.980 -6.954 1.00 2.31 H new ATOM 0 HG23 THR A 8 6.096 -2.932 -7.922 1.00 2.31 H new ATOM 118 N LEU A 9 6.009 -2.843 -4.367 1.00 20.30 N ATOM 119 CA LEU A 9 7.004 -3.069 -3.310 1.00 73.34 C ATOM 120 C LEU A 9 8.423 -3.204 -3.890 1.00 21.02 C ATOM 121 O LEU A 9 8.600 -3.349 -5.102 1.00 31.40 O ATOM 122 CB LEU A 9 6.637 -4.327 -2.508 1.00 51.23 C ATOM 123 CG LEU A 9 5.233 -4.311 -1.878 1.00 51.30 C ATOM 124 CD1 LEU A 9 4.966 -5.612 -1.125 1.00 15.03 C ATOM 125 CD2 LEU A 9 5.064 -3.102 -0.955 1.00 55.14 C ATOM 0 H LEU A 9 5.536 -3.691 -4.679 1.00 20.30 H new ATOM 0 HA LEU A 9 6.997 -2.202 -2.649 1.00 73.34 H new ATOM 0 HB2 LEU A 9 6.714 -5.193 -3.165 1.00 51.23 H new ATOM 0 HB3 LEU A 9 7.373 -4.462 -1.715 1.00 51.23 H new ATOM 0 HG LEU A 9 4.500 -4.226 -2.681 1.00 51.30 H new ATOM 0 HD11 LEU A 9 3.968 -5.581 -0.687 1.00 15.03 H new ATOM 0 HD12 LEU A 9 5.033 -6.453 -1.816 1.00 15.03 H new ATOM 0 HD13 LEU A 9 5.706 -5.733 -0.334 1.00 15.03 H new ATOM 0 HD21 LEU A 9 4.064 -3.112 -0.521 1.00 55.14 H new ATOM 0 HD22 LEU A 9 5.806 -3.147 -0.158 1.00 55.14 H new ATOM 0 HD23 LEU A 9 5.202 -2.185 -1.528 1.00 55.14 H new ATOM 137 N ASN A 10 9.429 -3.171 -3.015 1.00 41.10 N ATOM 138 CA ASN A 10 10.835 -3.243 -3.438 1.00 44.12 C ATOM 139 C ASN A 10 11.151 -4.590 -4.118 1.00 53.40 C ATOM 140 O ASN A 10 12.025 -4.669 -4.981 1.00 63.05 O ATOM 141 CB ASN A 10 11.759 -3.016 -2.235 1.00 3.12 C ATOM 142 CG ASN A 10 13.218 -2.882 -2.635 1.00 55.34 C ATOM 143 OD1 ASN A 10 13.962 -3.858 -2.671 1.00 42.44 O ATOM 144 ND2 ASN A 10 13.637 -1.669 -2.942 1.00 33.10 N ATOM 0 H ASN A 10 9.299 -3.095 -2.006 1.00 41.10 H new ATOM 0 HA ASN A 10 11.008 -2.456 -4.172 1.00 44.12 H new ATOM 0 HB2 ASN A 10 11.447 -2.115 -1.707 1.00 3.12 H new ATOM 0 HB3 ASN A 10 11.652 -3.847 -1.538 1.00 3.12 H new ATOM 0 HD21 ASN A 10 14.607 -1.520 -3.220 1.00 33.10 H new ATOM 0 HD22 ASN A 10 12.991 -0.881 -2.901 1.00 33.10 H new ATOM 151 N ASP A 11 10.425 -5.638 -3.731 1.00 23.33 N ATOM 152 CA ASP A 11 10.552 -6.957 -4.370 1.00 44.12 C ATOM 153 C ASP A 11 10.141 -6.910 -5.859 1.00 61.21 C ATOM 154 O ASP A 11 10.455 -7.816 -6.634 1.00 4.01 O ATOM 155 CB ASP A 11 9.667 -7.984 -3.647 1.00 74.22 C ATOM 156 CG ASP A 11 10.044 -8.190 -2.188 1.00 51.13 C ATOM 157 OD1 ASP A 11 10.919 -9.037 -1.909 1.00 42.31 O ATOM 158 OD2 ASP A 11 9.451 -7.526 -1.312 1.00 15.12 O ATOM 0 H ASP A 11 9.740 -5.604 -2.976 1.00 23.33 H new ATOM 0 HA ASP A 11 11.600 -7.249 -4.304 1.00 44.12 H new ATOM 0 HB2 ASP A 11 8.628 -7.660 -3.703 1.00 74.22 H new ATOM 0 HB3 ASP A 11 9.732 -8.939 -4.169 1.00 74.22 H new ATOM 163 N GLY A 12 9.443 -5.848 -6.252 1.00 45.41 N ATOM 164 CA GLY A 12 8.825 -5.796 -7.573 1.00 41.42 C ATOM 165 C GLY A 12 7.393 -6.331 -7.548 1.00 42.44 C ATOM 166 O GLY A 12 6.739 -6.469 -8.584 1.00 54.12 O ATOM 0 H GLY A 12 9.292 -5.018 -5.679 1.00 45.41 H new ATOM 0 HA2 GLY A 12 8.823 -4.767 -7.934 1.00 41.42 H new ATOM 0 HA3 GLY A 12 9.419 -6.379 -8.276 1.00 41.42 H new ATOM 170 N ARG A 13 6.923 -6.639 -6.343 1.00 3.53 N ATOM 171 CA ARG A 13 5.570 -7.148 -6.114 1.00 62.44 C ATOM 172 C ARG A 13 4.531 -6.017 -6.183 1.00 33.32 C ATOM 173 O ARG A 13 4.745 -4.939 -5.634 1.00 74.22 O ATOM 174 CB ARG A 13 5.525 -7.825 -4.738 1.00 15.53 C ATOM 175 CG ARG A 13 4.144 -8.303 -4.313 1.00 32.30 C ATOM 176 CD ARG A 13 4.178 -8.937 -2.929 1.00 73.40 C ATOM 177 NE ARG A 13 2.856 -9.367 -2.479 1.00 64.34 N ATOM 178 CZ ARG A 13 2.609 -9.824 -1.283 1.00 42.33 C ATOM 179 NH1 ARG A 13 3.558 -9.920 -0.406 1.00 22.32 N ATOM 180 NH2 ARG A 13 1.408 -10.182 -0.970 1.00 44.24 N ATOM 0 H ARG A 13 7.473 -6.542 -5.489 1.00 3.53 H new ATOM 0 HA ARG A 13 5.324 -7.868 -6.894 1.00 62.44 H new ATOM 0 HB2 ARG A 13 6.204 -8.677 -4.744 1.00 15.53 H new ATOM 0 HB3 ARG A 13 5.899 -7.125 -3.991 1.00 15.53 H new ATOM 0 HG2 ARG A 13 3.450 -7.462 -4.313 1.00 32.30 H new ATOM 0 HG3 ARG A 13 3.769 -9.026 -5.037 1.00 32.30 H new ATOM 0 HD2 ARG A 13 4.851 -9.795 -2.942 1.00 73.40 H new ATOM 0 HD3 ARG A 13 4.587 -8.222 -2.215 1.00 73.40 H new ATOM 0 HE ARG A 13 2.081 -9.306 -3.139 1.00 64.34 H new ATOM 0 HH11 ARG A 13 4.507 -9.637 -0.649 1.00 22.32 H new ATOM 0 HH12 ARG A 13 3.356 -10.279 0.527 1.00 22.32 H new ATOM 0 HH21 ARG A 13 0.658 -10.107 -1.657 1.00 44.24 H new ATOM 0 HH22 ARG A 13 1.210 -10.540 -0.036 1.00 44.24 H new ATOM 194 N GLU A 14 3.407 -6.261 -6.853 1.00 2.12 N ATOM 195 CA GLU A 14 2.359 -5.240 -6.998 1.00 54.44 C ATOM 196 C GLU A 14 1.045 -5.675 -6.335 1.00 22.14 C ATOM 197 O GLU A 14 0.555 -6.782 -6.564 1.00 11.20 O ATOM 198 CB GLU A 14 2.119 -4.936 -8.481 1.00 21.12 C ATOM 199 CG GLU A 14 3.333 -4.350 -9.189 1.00 13.31 C ATOM 200 CD GLU A 14 3.107 -4.169 -10.677 1.00 53.35 C ATOM 201 OE1 GLU A 14 3.208 -5.164 -11.423 1.00 21.54 O ATOM 202 OE2 GLU A 14 2.826 -3.033 -11.109 1.00 71.34 O ATOM 0 H GLU A 14 3.194 -7.151 -7.304 1.00 2.12 H new ATOM 0 HA GLU A 14 2.706 -4.339 -6.493 1.00 54.44 H new ATOM 0 HB2 GLU A 14 1.822 -5.854 -8.988 1.00 21.12 H new ATOM 0 HB3 GLU A 14 1.286 -4.239 -8.570 1.00 21.12 H new ATOM 0 HG2 GLU A 14 3.580 -3.387 -8.743 1.00 13.31 H new ATOM 0 HG3 GLU A 14 4.191 -5.003 -9.032 1.00 13.31 H new ATOM 209 N ILE A 15 0.482 -4.790 -5.514 1.00 20.21 N ATOM 210 CA ILE A 15 -0.815 -5.029 -4.869 1.00 11.22 C ATOM 211 C ILE A 15 -1.812 -3.913 -5.227 1.00 52.22 C ATOM 212 O ILE A 15 -1.490 -2.728 -5.122 1.00 35.30 O ATOM 213 CB ILE A 15 -0.673 -5.113 -3.325 1.00 20.31 C ATOM 214 CG1 ILE A 15 0.363 -6.184 -2.938 1.00 13.24 C ATOM 215 CG2 ILE A 15 -2.028 -5.415 -2.678 1.00 1.23 C ATOM 216 CD1 ILE A 15 0.598 -6.304 -1.445 1.00 4.55 C ATOM 0 H ILE A 15 0.905 -3.893 -5.276 1.00 20.21 H new ATOM 0 HA ILE A 15 -1.189 -5.984 -5.238 1.00 11.22 H new ATOM 0 HB ILE A 15 -0.324 -4.148 -2.956 1.00 20.31 H new ATOM 0 HG12 ILE A 15 0.033 -7.149 -3.322 1.00 13.24 H new ATOM 0 HG13 ILE A 15 1.309 -5.953 -3.427 1.00 13.24 H new ATOM 0 HG21 ILE A 15 -1.910 -5.470 -1.596 1.00 1.23 H new ATOM 0 HG22 ILE A 15 -2.734 -4.623 -2.926 1.00 1.23 H new ATOM 0 HG23 ILE A 15 -2.405 -6.367 -3.051 1.00 1.23 H new ATOM 0 HD11 ILE A 15 1.340 -7.079 -1.255 1.00 4.55 H new ATOM 0 HD12 ILE A 15 0.959 -5.352 -1.056 1.00 4.55 H new ATOM 0 HD13 ILE A 15 -0.337 -6.567 -0.950 1.00 4.55 H new ATOM 228 N GLN A 16 -3.014 -4.293 -5.658 1.00 12.30 N ATOM 229 CA GLN A 16 -4.030 -3.314 -6.073 1.00 44.34 C ATOM 230 C GLN A 16 -5.001 -2.967 -4.927 1.00 32.24 C ATOM 231 O GLN A 16 -5.591 -3.850 -4.304 1.00 74.11 O ATOM 232 CB GLN A 16 -4.811 -3.846 -7.283 1.00 50.03 C ATOM 233 CG GLN A 16 -3.951 -4.054 -8.527 1.00 2.23 C ATOM 234 CD GLN A 16 -4.751 -4.555 -9.718 1.00 3.13 C ATOM 235 OE1 GLN A 16 -4.898 -5.754 -9.925 1.00 73.22 O ATOM 236 NE2 GLN A 16 -5.280 -3.643 -10.505 1.00 71.55 N ATOM 0 H GLN A 16 -3.312 -5.266 -5.730 1.00 12.30 H new ATOM 0 HA GLN A 16 -3.509 -2.398 -6.349 1.00 44.34 H new ATOM 0 HB2 GLN A 16 -5.279 -4.793 -7.014 1.00 50.03 H new ATOM 0 HB3 GLN A 16 -5.615 -3.149 -7.520 1.00 50.03 H new ATOM 0 HG2 GLN A 16 -3.467 -3.114 -8.790 1.00 2.23 H new ATOM 0 HG3 GLN A 16 -3.159 -4.768 -8.301 1.00 2.23 H new ATOM 0 HE21 GLN A 16 -5.139 -2.653 -10.305 1.00 71.55 H new ATOM 0 HE22 GLN A 16 -5.831 -3.926 -11.315 1.00 71.55 H new ATOM 245 N ALA A 17 -5.163 -1.670 -4.669 1.00 24.20 N ATOM 246 CA ALA A 17 -6.048 -1.176 -3.605 1.00 72.24 C ATOM 247 C ALA A 17 -7.129 -0.235 -4.164 1.00 25.42 C ATOM 248 O ALA A 17 -7.015 0.261 -5.288 1.00 41.22 O ATOM 249 CB ALA A 17 -5.227 -0.462 -2.535 1.00 71.25 C ATOM 0 H ALA A 17 -4.688 -0.931 -5.187 1.00 24.20 H new ATOM 0 HA ALA A 17 -6.553 -2.033 -3.160 1.00 72.24 H new ATOM 0 HB1 ALA A 17 -5.890 -0.099 -1.750 1.00 71.25 H new ATOM 0 HB2 ALA A 17 -4.504 -1.157 -2.107 1.00 71.25 H new ATOM 0 HB3 ALA A 17 -4.699 0.380 -2.983 1.00 71.25 H new ATOM 255 N VAL A 18 -8.170 0.017 -3.371 1.00 72.24 N ATOM 256 CA VAL A 18 -9.291 0.871 -3.792 1.00 4.21 C ATOM 257 C VAL A 18 -9.115 2.328 -3.335 1.00 70.33 C ATOM 258 O VAL A 18 -9.766 3.231 -3.863 1.00 71.20 O ATOM 259 CB VAL A 18 -10.646 0.342 -3.249 1.00 14.22 C ATOM 260 CG1 VAL A 18 -10.924 -1.066 -3.765 1.00 10.32 C ATOM 261 CG2 VAL A 18 -10.675 0.374 -1.719 1.00 22.21 C ATOM 0 H VAL A 18 -8.264 -0.358 -2.427 1.00 72.24 H new ATOM 0 HA VAL A 18 -9.296 0.840 -4.882 1.00 4.21 H new ATOM 0 HB VAL A 18 -11.434 1.001 -3.614 1.00 14.22 H new ATOM 0 HG11 VAL A 18 -11.878 -1.416 -3.372 1.00 10.32 H new ATOM 0 HG12 VAL A 18 -10.963 -1.053 -4.854 1.00 10.32 H new ATOM 0 HG13 VAL A 18 -10.129 -1.737 -3.439 1.00 10.32 H new ATOM 0 HG21 VAL A 18 -11.635 -0.002 -1.365 1.00 22.21 H new ATOM 0 HG22 VAL A 18 -9.874 -0.252 -1.327 1.00 22.21 H new ATOM 0 HG23 VAL A 18 -10.537 1.399 -1.374 1.00 22.21 H new ATOM 271 N ASP A 19 -8.245 2.555 -2.351 1.00 65.42 N ATOM 272 CA ASP A 19 -8.023 3.902 -1.814 1.00 34.11 C ATOM 273 C ASP A 19 -6.533 4.284 -1.823 1.00 4.12 C ATOM 274 O ASP A 19 -5.663 3.462 -2.121 1.00 54.24 O ATOM 275 CB ASP A 19 -8.578 3.997 -0.386 1.00 53.32 C ATOM 276 CG ASP A 19 -7.840 3.098 0.595 1.00 60.43 C ATOM 277 OD1 ASP A 19 -8.004 1.861 0.520 1.00 53.11 O ATOM 278 OD2 ASP A 19 -7.108 3.623 1.461 1.00 64.23 O ATOM 0 H ASP A 19 -7.683 1.828 -1.909 1.00 65.42 H new ATOM 0 HA ASP A 19 -8.550 4.605 -2.459 1.00 34.11 H new ATOM 0 HB2 ASP A 19 -8.514 5.030 -0.044 1.00 53.32 H new ATOM 0 HB3 ASP A 19 -9.634 3.729 -0.393 1.00 53.32 H new ATOM 283 N THR A 20 -6.256 5.545 -1.499 1.00 3.34 N ATOM 284 CA THR A 20 -4.880 6.036 -1.368 1.00 1.52 C ATOM 285 C THR A 20 -4.292 5.633 -0.006 1.00 23.04 C ATOM 286 O THR A 20 -4.814 6.029 1.038 1.00 14.12 O ATOM 287 CB THR A 20 -4.813 7.580 -1.518 1.00 64.02 C ATOM 288 OG1 THR A 20 -5.320 7.976 -2.806 1.00 1.13 O ATOM 289 CG2 THR A 20 -3.383 8.096 -1.356 1.00 63.44 C ATOM 0 H THR A 20 -6.969 6.252 -1.321 1.00 3.34 H new ATOM 0 HA THR A 20 -4.295 5.582 -2.168 1.00 1.52 H new ATOM 0 HB THR A 20 -5.428 8.015 -0.730 1.00 64.02 H new ATOM 0 HG1 THR A 20 -5.275 8.951 -2.890 1.00 1.13 H new ATOM 0 HG21 THR A 20 -3.373 9.180 -1.467 1.00 63.44 H new ATOM 0 HG22 THR A 20 -3.010 7.829 -0.367 1.00 63.44 H new ATOM 0 HG23 THR A 20 -2.746 7.647 -2.118 1.00 63.44 H new ATOM 297 N PRO A 21 -3.192 4.849 -0.001 1.00 43.15 N ATOM 298 CA PRO A 21 -2.604 4.294 1.234 1.00 14.22 C ATOM 299 C PRO A 21 -2.358 5.342 2.335 1.00 22.12 C ATOM 300 O PRO A 21 -1.818 6.424 2.083 1.00 31.25 O ATOM 301 CB PRO A 21 -1.269 3.675 0.764 1.00 53.02 C ATOM 302 CG PRO A 21 -1.055 4.193 -0.623 1.00 54.45 C ATOM 303 CD PRO A 21 -2.425 4.438 -1.189 1.00 63.02 C ATOM 0 HA PRO A 21 -3.285 3.580 1.698 1.00 14.22 H new ATOM 0 HB2 PRO A 21 -0.449 3.964 1.422 1.00 53.02 H new ATOM 0 HB3 PRO A 21 -1.316 2.586 0.773 1.00 53.02 H new ATOM 0 HG2 PRO A 21 -0.468 5.111 -0.610 1.00 54.45 H new ATOM 0 HG3 PRO A 21 -0.506 3.472 -1.228 1.00 54.45 H new ATOM 0 HD2 PRO A 21 -2.415 5.214 -1.954 1.00 63.02 H new ATOM 0 HD3 PRO A 21 -2.840 3.542 -1.650 1.00 63.02 H new ATOM 311 N LYS A 22 -2.747 4.993 3.558 1.00 54.23 N ATOM 312 CA LYS A 22 -2.544 5.846 4.730 1.00 2.41 C ATOM 313 C LYS A 22 -1.151 5.622 5.330 1.00 54.34 C ATOM 314 O LYS A 22 -0.780 4.495 5.659 1.00 41.41 O ATOM 315 CB LYS A 22 -3.618 5.539 5.790 1.00 41.22 C ATOM 316 CG LYS A 22 -3.317 6.115 7.176 1.00 21.41 C ATOM 317 CD LYS A 22 -4.324 5.634 8.220 1.00 73.44 C ATOM 318 CE LYS A 22 -3.894 5.999 9.638 1.00 21.02 C ATOM 319 NZ LYS A 22 -3.777 7.467 9.834 1.00 1.31 N ATOM 0 H LYS A 22 -3.213 4.110 3.767 1.00 54.23 H new ATOM 0 HA LYS A 22 -2.625 6.887 4.417 1.00 2.41 H new ATOM 0 HB2 LYS A 22 -4.575 5.932 5.446 1.00 41.22 H new ATOM 0 HB3 LYS A 22 -3.730 4.458 5.875 1.00 41.22 H new ATOM 0 HG2 LYS A 22 -2.311 5.825 7.480 1.00 21.41 H new ATOM 0 HG3 LYS A 22 -3.334 7.204 7.129 1.00 21.41 H new ATOM 0 HD2 LYS A 22 -5.300 6.073 8.012 1.00 73.44 H new ATOM 0 HD3 LYS A 22 -4.438 4.553 8.143 1.00 73.44 H new ATOM 0 HE2 LYS A 22 -4.616 5.597 10.349 1.00 21.02 H new ATOM 0 HE3 LYS A 22 -2.935 5.528 9.857 1.00 21.02 H new ATOM 0 HZ1 LYS A 22 -3.532 7.667 10.825 1.00 1.31 H new ATOM 0 HZ2 LYS A 22 -3.033 7.842 9.211 1.00 1.31 H new ATOM 0 HZ3 LYS A 22 -4.684 7.921 9.603 1.00 1.31 H new ATOM 333 N TYR A 23 -0.383 6.696 5.466 1.00 43.11 N ATOM 334 CA TYR A 23 0.954 6.618 6.061 1.00 61.41 C ATOM 335 C TYR A 23 0.929 7.064 7.529 1.00 54.14 C ATOM 336 O TYR A 23 0.764 8.248 7.829 1.00 54.51 O ATOM 337 CB TYR A 23 1.946 7.478 5.265 1.00 63.05 C ATOM 338 CG TYR A 23 3.328 7.559 5.896 1.00 52.22 C ATOM 339 CD1 TYR A 23 4.106 6.417 6.070 1.00 21.41 C ATOM 340 CD2 TYR A 23 3.852 8.778 6.317 1.00 75.32 C ATOM 341 CE1 TYR A 23 5.362 6.488 6.643 1.00 42.45 C ATOM 342 CE2 TYR A 23 5.106 8.854 6.890 1.00 42.25 C ATOM 343 CZ TYR A 23 5.856 7.707 7.052 1.00 15.55 C ATOM 344 OH TYR A 23 7.112 7.785 7.618 1.00 42.41 O ATOM 0 H TYR A 23 -0.659 7.633 5.174 1.00 43.11 H new ATOM 0 HA TYR A 23 1.279 5.578 6.024 1.00 61.41 H new ATOM 0 HB2 TYR A 23 2.039 7.071 4.258 1.00 63.05 H new ATOM 0 HB3 TYR A 23 1.542 8.485 5.166 1.00 63.05 H new ATOM 0 HD1 TYR A 23 3.721 5.459 5.752 1.00 21.41 H new ATOM 0 HD2 TYR A 23 3.269 9.678 6.194 1.00 75.32 H new ATOM 0 HE1 TYR A 23 5.953 5.593 6.769 1.00 42.45 H new ATOM 0 HE2 TYR A 23 5.499 9.808 7.210 1.00 42.25 H new ATOM 0 HH TYR A 23 7.309 8.717 7.850 1.00 42.41 H new ATOM 354 N ASP A 24 1.089 6.110 8.442 1.00 74.44 N ATOM 355 CA ASP A 24 1.137 6.417 9.869 1.00 64.14 C ATOM 356 C ASP A 24 2.593 6.489 10.358 1.00 53.21 C ATOM 357 O ASP A 24 3.291 5.473 10.427 1.00 0.44 O ATOM 358 CB ASP A 24 0.357 5.368 10.667 1.00 42.14 C ATOM 359 CG ASP A 24 0.250 5.728 12.139 1.00 62.22 C ATOM 360 OD1 ASP A 24 -0.485 6.680 12.470 1.00 1.22 O ATOM 361 OD2 ASP A 24 0.904 5.070 12.965 1.00 14.10 O ATOM 0 H ASP A 24 1.188 5.119 8.220 1.00 74.44 H new ATOM 0 HA ASP A 24 0.673 7.390 10.027 1.00 64.14 H new ATOM 0 HB2 ASP A 24 -0.643 5.264 10.247 1.00 42.14 H new ATOM 0 HB3 ASP A 24 0.847 4.400 10.566 1.00 42.14 H new ATOM 366 N GLU A 25 3.037 7.695 10.695 1.00 21.53 N ATOM 367 CA GLU A 25 4.415 7.932 11.130 1.00 4.33 C ATOM 368 C GLU A 25 4.730 7.222 12.453 1.00 41.13 C ATOM 369 O GLU A 25 5.820 6.674 12.634 1.00 25.04 O ATOM 370 CB GLU A 25 4.658 9.441 11.273 1.00 61.42 C ATOM 371 CG GLU A 25 5.980 9.794 11.944 1.00 71.51 C ATOM 372 CD GLU A 25 6.257 11.287 11.958 1.00 34.42 C ATOM 373 OE1 GLU A 25 5.518 12.032 12.638 1.00 60.11 O ATOM 374 OE2 GLU A 25 7.222 11.722 11.293 1.00 70.12 O ATOM 0 H GLU A 25 2.458 8.534 10.676 1.00 21.53 H new ATOM 0 HA GLU A 25 5.080 7.519 10.372 1.00 4.33 H new ATOM 0 HB2 GLU A 25 4.630 9.899 10.284 1.00 61.42 H new ATOM 0 HB3 GLU A 25 3.842 9.877 11.849 1.00 61.42 H new ATOM 0 HG2 GLU A 25 5.972 9.422 12.968 1.00 71.51 H new ATOM 0 HG3 GLU A 25 6.792 9.284 11.426 1.00 71.51 H new ATOM 381 N GLU A 26 3.769 7.226 13.367 1.00 34.13 N ATOM 382 CA GLU A 26 3.973 6.663 14.704 1.00 34.41 C ATOM 383 C GLU A 26 4.257 5.151 14.660 1.00 54.22 C ATOM 384 O GLU A 26 5.131 4.657 15.373 1.00 72.40 O ATOM 385 CB GLU A 26 2.747 6.933 15.578 1.00 32.52 C ATOM 386 CG GLU A 26 2.339 8.399 15.623 1.00 55.42 C ATOM 387 CD GLU A 26 1.237 8.663 16.633 1.00 65.12 C ATOM 388 OE1 GLU A 26 0.180 8.004 16.552 1.00 34.32 O ATOM 389 OE2 GLU A 26 1.429 9.527 17.514 1.00 12.54 O ATOM 0 H GLU A 26 2.838 7.612 13.211 1.00 34.13 H new ATOM 0 HA GLU A 26 4.848 7.151 15.132 1.00 34.41 H new ATOM 0 HB2 GLU A 26 1.909 6.343 15.206 1.00 32.52 H new ATOM 0 HB3 GLU A 26 2.952 6.591 16.592 1.00 32.52 H new ATOM 0 HG2 GLU A 26 3.209 9.008 15.871 1.00 55.42 H new ATOM 0 HG3 GLU A 26 2.003 8.710 14.634 1.00 55.42 H new ATOM 396 N SER A 27 3.509 4.421 13.835 1.00 44.12 N ATOM 397 CA SER A 27 3.679 2.963 13.717 1.00 33.22 C ATOM 398 C SER A 27 4.668 2.589 12.603 1.00 43.32 C ATOM 399 O SER A 27 5.324 1.549 12.668 1.00 54.35 O ATOM 400 CB SER A 27 2.326 2.290 13.445 1.00 54.40 C ATOM 401 OG SER A 27 1.354 2.675 14.405 1.00 24.42 O ATOM 0 H SER A 27 2.779 4.808 13.237 1.00 44.12 H new ATOM 0 HA SER A 27 4.085 2.608 14.664 1.00 33.22 H new ATOM 0 HB2 SER A 27 1.979 2.557 12.447 1.00 54.40 H new ATOM 0 HB3 SER A 27 2.447 1.207 13.461 1.00 54.40 H new ATOM 0 HG SER A 27 0.981 3.548 14.161 1.00 24.42 H new ATOM 407 N GLY A 28 4.776 3.439 11.583 1.00 61.43 N ATOM 408 CA GLY A 28 5.697 3.175 10.480 1.00 61.15 C ATOM 409 C GLY A 28 5.106 2.289 9.379 1.00 60.41 C ATOM 410 O GLY A 28 5.833 1.800 8.513 1.00 72.23 O ATOM 0 H GLY A 28 4.245 4.305 11.498 1.00 61.43 H new ATOM 0 HA2 GLY A 28 6.007 4.124 10.042 1.00 61.15 H new ATOM 0 HA3 GLY A 28 6.594 2.698 10.875 1.00 61.15 H new ATOM 414 N PHE A 29 3.790 2.071 9.417 1.00 3.52 N ATOM 415 CA PHE A 29 3.117 1.188 8.448 1.00 3.34 C ATOM 416 C PHE A 29 2.245 1.969 7.447 1.00 43.43 C ATOM 417 O PHE A 29 1.788 3.081 7.724 1.00 13.24 O ATOM 418 CB PHE A 29 2.238 0.161 9.183 1.00 63.12 C ATOM 419 CG PHE A 29 3.006 -0.785 10.075 1.00 14.24 C ATOM 420 CD1 PHE A 29 3.659 -1.887 9.543 1.00 3.43 C ATOM 421 CD2 PHE A 29 3.062 -0.580 11.446 1.00 13.40 C ATOM 422 CE1 PHE A 29 4.354 -2.761 10.357 1.00 22.23 C ATOM 423 CE2 PHE A 29 3.757 -1.451 12.264 1.00 33.22 C ATOM 424 CZ PHE A 29 4.403 -2.544 11.719 1.00 1.03 C ATOM 0 H PHE A 29 3.165 2.491 10.105 1.00 3.52 H new ATOM 0 HA PHE A 29 3.903 0.681 7.888 1.00 3.34 H new ATOM 0 HB2 PHE A 29 1.502 0.694 9.785 1.00 63.12 H new ATOM 0 HB3 PHE A 29 1.685 -0.421 8.446 1.00 63.12 H new ATOM 0 HD1 PHE A 29 3.624 -2.064 8.478 1.00 3.43 H new ATOM 0 HD2 PHE A 29 2.557 0.270 11.879 1.00 13.40 H new ATOM 0 HE1 PHE A 29 4.859 -3.614 9.927 1.00 22.23 H new ATOM 0 HE2 PHE A 29 3.795 -1.277 13.329 1.00 33.22 H new ATOM 0 HZ PHE A 29 4.945 -3.227 12.357 1.00 1.03 H new ATOM 434 N TYR A 30 2.031 1.366 6.277 1.00 64.51 N ATOM 435 CA TYR A 30 1.063 1.863 5.292 1.00 71.23 C ATOM 436 C TYR A 30 -0.228 1.033 5.347 1.00 52.24 C ATOM 437 O TYR A 30 -0.186 -0.200 5.315 1.00 62.41 O ATOM 438 CB TYR A 30 1.643 1.805 3.868 1.00 33.23 C ATOM 439 CG TYR A 30 2.590 2.942 3.522 1.00 0.43 C ATOM 440 CD1 TYR A 30 3.958 2.841 3.760 1.00 63.23 C ATOM 441 CD2 TYR A 30 2.112 4.115 2.943 1.00 45.31 C ATOM 442 CE1 TYR A 30 4.816 3.875 3.431 1.00 23.33 C ATOM 443 CE2 TYR A 30 2.965 5.150 2.615 1.00 72.11 C ATOM 444 CZ TYR A 30 4.316 5.026 2.860 1.00 11.45 C ATOM 445 OH TYR A 30 5.171 6.056 2.532 1.00 4.11 O ATOM 0 H TYR A 30 2.521 0.521 5.984 1.00 64.51 H new ATOM 0 HA TYR A 30 0.841 2.901 5.539 1.00 71.23 H new ATOM 0 HB2 TYR A 30 2.171 0.860 3.744 1.00 33.23 H new ATOM 0 HB3 TYR A 30 0.819 1.806 3.154 1.00 33.23 H new ATOM 0 HD1 TYR A 30 4.355 1.942 4.208 1.00 63.23 H new ATOM 0 HD2 TYR A 30 1.055 4.217 2.747 1.00 45.31 H new ATOM 0 HE1 TYR A 30 5.875 3.781 3.621 1.00 23.33 H new ATOM 0 HE2 TYR A 30 2.575 6.053 2.168 1.00 72.11 H new ATOM 0 HH TYR A 30 4.659 6.793 2.138 1.00 4.11 H new ATOM 455 N GLU A 31 -1.368 1.711 5.436 1.00 72.50 N ATOM 456 CA GLU A 31 -2.675 1.040 5.487 1.00 60.33 C ATOM 457 C GLU A 31 -3.451 1.234 4.174 1.00 42.15 C ATOM 458 O GLU A 31 -3.725 2.364 3.767 1.00 34.43 O ATOM 459 CB GLU A 31 -3.505 1.583 6.659 1.00 62.45 C ATOM 460 CG GLU A 31 -2.804 1.488 8.012 1.00 53.33 C ATOM 461 CD GLU A 31 -3.719 1.840 9.174 1.00 43.03 C ATOM 462 OE1 GLU A 31 -4.730 1.133 9.367 1.00 31.44 O ATOM 463 OE2 GLU A 31 -3.430 2.810 9.905 1.00 54.10 O ATOM 0 H GLU A 31 -1.419 2.729 5.475 1.00 72.50 H new ATOM 0 HA GLU A 31 -2.497 -0.026 5.630 1.00 60.33 H new ATOM 0 HB2 GLU A 31 -3.754 2.626 6.462 1.00 62.45 H new ATOM 0 HB3 GLU A 31 -4.446 1.035 6.709 1.00 62.45 H new ATOM 0 HG2 GLU A 31 -2.423 0.476 8.149 1.00 53.33 H new ATOM 0 HG3 GLU A 31 -1.943 2.156 8.018 1.00 53.33 H new ATOM 470 N PHE A 32 -3.816 0.135 3.517 1.00 60.31 N ATOM 471 CA PHE A 32 -4.548 0.211 2.242 1.00 55.15 C ATOM 472 C PHE A 32 -5.547 -0.946 2.093 1.00 52.14 C ATOM 473 O PHE A 32 -5.281 -2.070 2.525 1.00 13.05 O ATOM 474 CB PHE A 32 -3.561 0.217 1.063 1.00 12.34 C ATOM 475 CG PHE A 32 -2.642 -0.984 1.022 1.00 72.22 C ATOM 476 CD1 PHE A 32 -1.516 -1.047 1.834 1.00 35.22 C ATOM 477 CD2 PHE A 32 -2.902 -2.045 0.165 1.00 51.44 C ATOM 478 CE1 PHE A 32 -0.673 -2.142 1.792 1.00 61.41 C ATOM 479 CE2 PHE A 32 -2.063 -3.140 0.122 1.00 71.14 C ATOM 480 CZ PHE A 32 -0.946 -3.188 0.935 1.00 40.35 C ATOM 0 H PHE A 32 -3.622 -0.814 3.838 1.00 60.31 H new ATOM 0 HA PHE A 32 -5.116 1.142 2.239 1.00 55.15 H new ATOM 0 HB2 PHE A 32 -4.125 0.262 0.131 1.00 12.34 H new ATOM 0 HB3 PHE A 32 -2.956 1.122 1.114 1.00 12.34 H new ATOM 0 HD1 PHE A 32 -1.297 -0.231 2.506 1.00 35.22 H new ATOM 0 HD2 PHE A 32 -3.771 -2.013 -0.475 1.00 51.44 H new ATOM 0 HE1 PHE A 32 0.198 -2.178 2.429 1.00 61.41 H new ATOM 0 HE2 PHE A 32 -2.279 -3.960 -0.547 1.00 71.14 H new ATOM 0 HZ PHE A 32 -0.288 -4.043 0.899 1.00 40.35 H new ATOM 490 N LYS A 33 -6.699 -0.663 1.485 1.00 44.11 N ATOM 491 CA LYS A 33 -7.741 -1.675 1.280 1.00 5.33 C ATOM 492 C LYS A 33 -7.681 -2.255 -0.139 1.00 25.54 C ATOM 493 O LYS A 33 -7.915 -1.549 -1.117 1.00 44.54 O ATOM 494 CB LYS A 33 -9.125 -1.067 1.544 1.00 11.53 C ATOM 495 CG LYS A 33 -10.276 -2.064 1.440 1.00 13.24 C ATOM 496 CD LYS A 33 -11.619 -1.422 1.786 1.00 13.52 C ATOM 497 CE LYS A 33 -11.617 -0.822 3.190 1.00 71.55 C ATOM 498 NZ LYS A 33 -12.937 -0.248 3.559 1.00 32.21 N ATOM 0 H LYS A 33 -6.937 0.261 1.124 1.00 44.11 H new ATOM 0 HA LYS A 33 -7.566 -2.488 1.984 1.00 5.33 H new ATOM 0 HB2 LYS A 33 -9.131 -0.625 2.540 1.00 11.53 H new ATOM 0 HB3 LYS A 33 -9.295 -0.257 0.834 1.00 11.53 H new ATOM 0 HG2 LYS A 33 -10.316 -2.468 0.428 1.00 13.24 H new ATOM 0 HG3 LYS A 33 -10.091 -2.903 2.111 1.00 13.24 H new ATOM 0 HD2 LYS A 33 -11.847 -0.643 1.058 1.00 13.52 H new ATOM 0 HD3 LYS A 33 -12.409 -2.169 1.711 1.00 13.52 H new ATOM 0 HE2 LYS A 33 -11.343 -1.592 3.911 1.00 71.55 H new ATOM 0 HE3 LYS A 33 -10.856 -0.044 3.249 1.00 71.55 H new ATOM 0 HZ1 LYS A 33 -12.887 0.147 4.520 1.00 32.21 H new ATOM 0 HZ2 LYS A 33 -13.188 0.505 2.887 1.00 32.21 H new ATOM 0 HZ3 LYS A 33 -13.661 -0.994 3.529 1.00 32.21 H new ATOM 512 N GLN A 34 -7.362 -3.543 -0.239 1.00 10.34 N ATOM 513 CA GLN A 34 -7.290 -4.237 -1.533 1.00 53.20 C ATOM 514 C GLN A 34 -8.644 -4.218 -2.268 1.00 51.43 C ATOM 515 O GLN A 34 -9.686 -3.945 -1.666 1.00 12.51 O ATOM 516 CB GLN A 34 -6.844 -5.690 -1.319 1.00 70.00 C ATOM 517 CG GLN A 34 -5.498 -5.831 -0.613 1.00 24.40 C ATOM 518 CD GLN A 34 -5.122 -7.277 -0.343 1.00 74.23 C ATOM 519 OE1 GLN A 34 -5.491 -8.180 -1.088 1.00 2.32 O ATOM 520 NE2 GLN A 34 -4.394 -7.512 0.730 1.00 44.41 N ATOM 0 H GLN A 34 -7.147 -4.135 0.563 1.00 10.34 H new ATOM 0 HA GLN A 34 -6.564 -3.710 -2.152 1.00 53.20 H new ATOM 0 HB2 GLN A 34 -7.604 -6.210 -0.736 1.00 70.00 H new ATOM 0 HB3 GLN A 34 -6.788 -6.188 -2.287 1.00 70.00 H new ATOM 0 HG2 GLN A 34 -4.723 -5.367 -1.223 1.00 24.40 H new ATOM 0 HG3 GLN A 34 -5.529 -5.287 0.331 1.00 24.40 H new ATOM 0 HE21 GLN A 34 -4.104 -6.739 1.329 1.00 44.41 H new ATOM 0 HE22 GLN A 34 -4.121 -8.467 0.962 1.00 44.41 H new ATOM 529 N LEU A 35 -8.624 -4.540 -3.565 1.00 52.21 N ATOM 530 CA LEU A 35 -9.853 -4.575 -4.380 1.00 14.21 C ATOM 531 C LEU A 35 -10.894 -5.546 -3.795 1.00 73.52 C ATOM 532 O LEU A 35 -12.098 -5.379 -3.997 1.00 64.41 O ATOM 533 CB LEU A 35 -9.531 -4.984 -5.826 1.00 2.44 C ATOM 534 CG LEU A 35 -8.548 -4.069 -6.579 1.00 42.52 C ATOM 535 CD1 LEU A 35 -8.289 -4.600 -7.988 1.00 23.32 C ATOM 536 CD2 LEU A 35 -9.071 -2.633 -6.630 1.00 71.32 C ATOM 0 H LEU A 35 -7.775 -4.780 -4.077 1.00 52.21 H new ATOM 0 HA LEU A 35 -10.275 -3.570 -4.370 1.00 14.21 H new ATOM 0 HB2 LEU A 35 -9.122 -5.994 -5.815 1.00 2.44 H new ATOM 0 HB3 LEU A 35 -10.464 -5.024 -6.388 1.00 2.44 H new ATOM 0 HG LEU A 35 -7.603 -4.066 -6.036 1.00 42.52 H new ATOM 0 HD11 LEU A 35 -7.592 -3.939 -8.503 1.00 23.32 H new ATOM 0 HD12 LEU A 35 -7.862 -5.601 -7.927 1.00 23.32 H new ATOM 0 HD13 LEU A 35 -9.228 -4.639 -8.540 1.00 23.32 H new ATOM 0 HD21 LEU A 35 -8.360 -2.006 -7.167 1.00 71.32 H new ATOM 0 HD22 LEU A 35 -10.032 -2.614 -7.144 1.00 71.32 H new ATOM 0 HD23 LEU A 35 -9.195 -2.255 -5.615 1.00 71.32 H new ATOM 548 N ASP A 36 -10.419 -6.556 -3.070 1.00 70.11 N ATOM 549 CA ASP A 36 -11.294 -7.547 -2.427 1.00 32.23 C ATOM 550 C ASP A 36 -12.038 -6.972 -1.206 1.00 42.31 C ATOM 551 O ASP A 36 -12.897 -7.638 -0.625 1.00 24.13 O ATOM 552 CB ASP A 36 -10.466 -8.758 -1.988 1.00 12.31 C ATOM 553 CG ASP A 36 -9.787 -9.447 -3.154 1.00 5.42 C ATOM 554 OD1 ASP A 36 -10.407 -10.338 -3.766 1.00 4.44 O ATOM 555 OD2 ASP A 36 -8.630 -9.105 -3.462 1.00 44.34 O ATOM 0 H ASP A 36 -9.424 -6.715 -2.909 1.00 70.11 H new ATOM 0 HA ASP A 36 -12.043 -7.841 -3.163 1.00 32.23 H new ATOM 0 HB2 ASP A 36 -9.712 -8.438 -1.269 1.00 12.31 H new ATOM 0 HB3 ASP A 36 -11.113 -9.470 -1.475 1.00 12.31 H new ATOM 560 N GLY A 37 -11.711 -5.740 -0.820 1.00 73.41 N ATOM 561 CA GLY A 37 -12.291 -5.148 0.382 1.00 73.34 C ATOM 562 C GLY A 37 -11.534 -5.529 1.652 1.00 1.41 C ATOM 563 O GLY A 37 -12.089 -5.500 2.754 1.00 14.25 O ATOM 0 H GLY A 37 -11.054 -5.138 -1.317 1.00 73.41 H new ATOM 0 HA2 GLY A 37 -12.298 -4.063 0.280 1.00 73.34 H new ATOM 0 HA3 GLY A 37 -13.329 -5.466 0.474 1.00 73.34 H new ATOM 567 N LYS A 38 -10.260 -5.883 1.497 1.00 1.00 N ATOM 568 CA LYS A 38 -9.417 -6.293 2.627 1.00 0.22 C ATOM 569 C LYS A 38 -8.301 -5.272 2.895 1.00 45.43 C ATOM 570 O LYS A 38 -7.388 -5.108 2.084 1.00 22.04 O ATOM 571 CB LYS A 38 -8.814 -7.683 2.360 1.00 3.10 C ATOM 572 CG LYS A 38 -9.869 -8.773 2.157 1.00 23.45 C ATOM 573 CD LYS A 38 -9.255 -10.168 2.070 1.00 3.42 C ATOM 574 CE LYS A 38 -8.253 -10.291 0.928 1.00 44.32 C ATOM 575 NZ LYS A 38 -7.729 -11.677 0.798 1.00 42.25 N ATOM 0 H LYS A 38 -9.783 -5.895 0.595 1.00 1.00 H new ATOM 0 HA LYS A 38 -10.046 -6.340 3.516 1.00 0.22 H new ATOM 0 HB2 LYS A 38 -8.180 -7.632 1.475 1.00 3.10 H new ATOM 0 HB3 LYS A 38 -8.172 -7.960 3.197 1.00 3.10 H new ATOM 0 HG2 LYS A 38 -10.581 -8.743 2.981 1.00 23.45 H new ATOM 0 HG3 LYS A 38 -10.429 -8.568 1.244 1.00 23.45 H new ATOM 0 HD2 LYS A 38 -8.759 -10.403 3.012 1.00 3.42 H new ATOM 0 HD3 LYS A 38 -10.048 -10.903 1.935 1.00 3.42 H new ATOM 0 HE2 LYS A 38 -8.729 -9.994 -0.006 1.00 44.32 H new ATOM 0 HE3 LYS A 38 -7.424 -9.604 1.096 1.00 44.32 H new ATOM 0 HZ1 LYS A 38 -7.051 -11.719 0.011 1.00 42.25 H new ATOM 0 HZ2 LYS A 38 -7.253 -11.952 1.681 1.00 42.25 H new ATOM 0 HZ3 LYS A 38 -8.517 -12.330 0.612 1.00 42.25 H new ATOM 589 N GLN A 39 -8.383 -4.587 4.034 1.00 70.30 N ATOM 590 CA GLN A 39 -7.394 -3.564 4.399 1.00 43.24 C ATOM 591 C GLN A 39 -6.226 -4.173 5.187 1.00 4.22 C ATOM 592 O GLN A 39 -6.384 -4.572 6.342 1.00 20.33 O ATOM 593 CB GLN A 39 -8.060 -2.447 5.217 1.00 20.45 C ATOM 594 CG GLN A 39 -7.122 -1.294 5.576 1.00 23.04 C ATOM 595 CD GLN A 39 -7.811 -0.188 6.361 1.00 64.33 C ATOM 596 OE1 GLN A 39 -9.008 0.049 6.216 1.00 14.34 O ATOM 597 NE2 GLN A 39 -7.064 0.499 7.201 1.00 73.15 N ATOM 0 H GLN A 39 -9.123 -4.719 4.723 1.00 70.30 H new ATOM 0 HA GLN A 39 -6.994 -3.141 3.477 1.00 43.24 H new ATOM 0 HB2 GLN A 39 -8.905 -2.052 4.653 1.00 20.45 H new ATOM 0 HB3 GLN A 39 -8.462 -2.874 6.136 1.00 20.45 H new ATOM 0 HG2 GLN A 39 -6.287 -1.681 6.161 1.00 23.04 H new ATOM 0 HG3 GLN A 39 -6.703 -0.875 4.661 1.00 23.04 H new ATOM 0 HE21 GLN A 39 -6.073 0.279 7.300 1.00 73.15 H new ATOM 0 HE22 GLN A 39 -7.477 1.251 7.753 1.00 73.15 H new ATOM 606 N THR A 40 -5.052 -4.234 4.562 1.00 22.42 N ATOM 607 CA THR A 40 -3.866 -4.837 5.192 1.00 61.11 C ATOM 608 C THR A 40 -2.794 -3.780 5.504 1.00 43.43 C ATOM 609 O THR A 40 -2.831 -2.663 4.977 1.00 43.02 O ATOM 610 CB THR A 40 -3.254 -5.951 4.304 1.00 32.11 C ATOM 611 OG1 THR A 40 -2.133 -6.566 4.965 1.00 13.30 O ATOM 612 CG2 THR A 40 -2.813 -5.397 2.954 1.00 4.44 C ATOM 0 H THR A 40 -4.891 -3.875 3.621 1.00 22.42 H new ATOM 0 HA THR A 40 -4.202 -5.282 6.129 1.00 61.11 H new ATOM 0 HB THR A 40 -4.026 -6.702 4.136 1.00 32.11 H new ATOM 0 HG1 THR A 40 -1.760 -7.268 4.392 1.00 13.30 H new ATOM 0 HG21 THR A 40 -2.388 -6.200 2.352 1.00 4.44 H new ATOM 0 HG22 THR A 40 -3.673 -4.972 2.436 1.00 4.44 H new ATOM 0 HG23 THR A 40 -2.062 -4.622 3.107 1.00 4.44 H new ATOM 620 N ARG A 41 -1.842 -4.137 6.367 1.00 33.43 N ATOM 621 CA ARG A 41 -0.802 -3.204 6.821 1.00 32.32 C ATOM 622 C ARG A 41 0.607 -3.745 6.540 1.00 61.25 C ATOM 623 O ARG A 41 0.918 -4.895 6.854 1.00 41.33 O ATOM 624 CB ARG A 41 -0.978 -2.935 8.323 1.00 62.22 C ATOM 625 CG ARG A 41 -2.303 -2.258 8.657 1.00 60.25 C ATOM 626 CD ARG A 41 -2.522 -2.104 10.158 1.00 44.51 C ATOM 627 NE ARG A 41 -3.661 -1.234 10.437 1.00 74.33 N ATOM 628 CZ ARG A 41 -4.671 -1.538 11.206 1.00 3.52 C ATOM 629 NH1 ARG A 41 -4.747 -2.689 11.789 1.00 30.34 N ATOM 630 NH2 ARG A 41 -5.625 -0.684 11.369 1.00 4.31 N ATOM 0 H ARG A 41 -1.767 -5.071 6.770 1.00 33.43 H new ATOM 0 HA ARG A 41 -0.911 -2.273 6.264 1.00 32.32 H new ATOM 0 HB2 ARG A 41 -0.912 -3.878 8.865 1.00 62.22 H new ATOM 0 HB3 ARG A 41 -0.158 -2.308 8.673 1.00 62.22 H new ATOM 0 HG2 ARG A 41 -2.333 -1.275 8.187 1.00 60.25 H new ATOM 0 HG3 ARG A 41 -3.121 -2.840 8.232 1.00 60.25 H new ATOM 0 HD2 ARG A 41 -2.690 -3.083 10.606 1.00 44.51 H new ATOM 0 HD3 ARG A 41 -1.624 -1.692 10.619 1.00 44.51 H new ATOM 0 HE ARG A 41 -3.668 -0.315 9.995 1.00 74.33 H new ATOM 0 HH11 ARG A 41 -4.009 -3.380 11.652 1.00 30.34 H new ATOM 0 HH12 ARG A 41 -5.545 -2.907 12.386 1.00 30.34 H new ATOM 0 HH21 ARG A 41 -5.586 0.220 10.899 1.00 4.31 H new ATOM 0 HH22 ARG A 41 -6.418 -0.913 11.968 1.00 4.31 H new ATOM 644 N ILE A 42 1.458 -2.906 5.955 1.00 62.22 N ATOM 645 CA ILE A 42 2.836 -3.293 5.627 1.00 2.01 C ATOM 646 C ILE A 42 3.835 -2.192 6.034 1.00 24.45 C ATOM 647 O ILE A 42 3.481 -1.015 6.088 1.00 51.34 O ATOM 648 CB ILE A 42 2.973 -3.605 4.111 1.00 62.55 C ATOM 649 CG1 ILE A 42 4.358 -4.199 3.798 1.00 41.24 C ATOM 650 CG2 ILE A 42 2.718 -2.349 3.275 1.00 54.40 C ATOM 651 CD1 ILE A 42 4.528 -4.633 2.357 1.00 43.31 C ATOM 0 H ILE A 42 1.220 -1.949 5.696 1.00 62.22 H new ATOM 0 HA ILE A 42 3.070 -4.194 6.193 1.00 2.01 H new ATOM 0 HB ILE A 42 2.220 -4.347 3.847 1.00 62.55 H new ATOM 0 HG12 ILE A 42 5.122 -3.459 4.037 1.00 41.24 H new ATOM 0 HG13 ILE A 42 4.530 -5.057 4.448 1.00 41.24 H new ATOM 0 HG21 ILE A 42 2.819 -2.590 2.217 1.00 54.40 H new ATOM 0 HG22 ILE A 42 1.710 -1.981 3.469 1.00 54.40 H new ATOM 0 HG23 ILE A 42 3.443 -1.580 3.543 1.00 54.40 H new ATOM 0 HD11 ILE A 42 5.529 -5.040 2.215 1.00 43.31 H new ATOM 0 HD12 ILE A 42 3.788 -5.397 2.117 1.00 43.31 H new ATOM 0 HD13 ILE A 42 4.389 -3.775 1.700 1.00 43.31 H new ATOM 663 N ASN A 43 5.075 -2.580 6.331 1.00 73.00 N ATOM 664 CA ASN A 43 6.102 -1.633 6.800 1.00 23.20 C ATOM 665 C ASN A 43 6.495 -0.624 5.696 1.00 73.53 C ATOM 666 O ASN A 43 6.503 -0.950 4.506 1.00 71.54 O ATOM 667 CB ASN A 43 7.336 -2.410 7.284 1.00 71.20 C ATOM 668 CG ASN A 43 8.293 -1.566 8.116 1.00 13.32 C ATOM 669 OD1 ASN A 43 8.389 -0.353 7.956 1.00 44.02 O ATOM 670 ND2 ASN A 43 9.014 -2.204 9.014 1.00 10.45 N ATOM 0 H ASN A 43 5.399 -3.544 6.257 1.00 73.00 H new ATOM 0 HA ASN A 43 5.686 -1.060 7.629 1.00 23.20 H new ATOM 0 HB2 ASN A 43 7.009 -3.265 7.876 1.00 71.20 H new ATOM 0 HB3 ASN A 43 7.869 -2.806 6.420 1.00 71.20 H new ATOM 0 HD21 ASN A 43 9.673 -1.689 9.598 1.00 10.45 H new ATOM 0 HD22 ASN A 43 8.914 -3.213 9.125 1.00 10.45 H new ATOM 677 N LYS A 44 6.835 0.600 6.109 1.00 52.31 N ATOM 678 CA LYS A 44 7.174 1.688 5.178 1.00 61.35 C ATOM 679 C LYS A 44 8.454 1.411 4.371 1.00 73.51 C ATOM 680 O LYS A 44 8.674 2.019 3.324 1.00 23.52 O ATOM 681 CB LYS A 44 7.337 3.010 5.943 1.00 12.40 C ATOM 682 CG LYS A 44 8.432 2.977 7.011 1.00 4.23 C ATOM 683 CD LYS A 44 8.698 4.361 7.607 1.00 34.13 C ATOM 684 CE LYS A 44 9.277 5.324 6.574 1.00 52.24 C ATOM 685 NZ LYS A 44 9.553 6.669 7.149 1.00 21.12 N ATOM 0 H LYS A 44 6.884 0.867 7.092 1.00 52.31 H new ATOM 0 HA LYS A 44 6.348 1.757 4.470 1.00 61.35 H new ATOM 0 HB2 LYS A 44 7.561 3.805 5.232 1.00 12.40 H new ATOM 0 HB3 LYS A 44 6.389 3.264 6.417 1.00 12.40 H new ATOM 0 HG2 LYS A 44 8.141 2.290 7.806 1.00 4.23 H new ATOM 0 HG3 LYS A 44 9.352 2.588 6.574 1.00 4.23 H new ATOM 0 HD2 LYS A 44 7.769 4.770 8.004 1.00 34.13 H new ATOM 0 HD3 LYS A 44 9.389 4.269 8.445 1.00 34.13 H new ATOM 0 HE2 LYS A 44 10.200 4.908 6.169 1.00 52.24 H new ATOM 0 HE3 LYS A 44 8.580 5.423 5.742 1.00 52.24 H new ATOM 0 HZ1 LYS A 44 10.273 7.151 6.574 1.00 21.12 H new ATOM 0 HZ2 LYS A 44 8.678 7.231 7.152 1.00 21.12 H new ATOM 0 HZ3 LYS A 44 9.901 6.565 8.123 1.00 21.12 H new ATOM 699 N ASP A 45 9.299 0.508 4.853 1.00 3.41 N ATOM 700 CA ASP A 45 10.574 0.219 4.186 1.00 73.31 C ATOM 701 C ASP A 45 10.392 -0.656 2.928 1.00 74.02 C ATOM 702 O ASP A 45 11.329 -0.839 2.145 1.00 41.32 O ATOM 703 CB ASP A 45 11.558 -0.439 5.172 1.00 64.33 C ATOM 704 CG ASP A 45 11.043 -1.731 5.798 1.00 62.24 C ATOM 705 OD1 ASP A 45 9.925 -2.167 5.472 1.00 53.11 O ATOM 706 OD2 ASP A 45 11.773 -2.319 6.626 1.00 41.51 O ATOM 0 H ASP A 45 9.131 -0.037 5.699 1.00 3.41 H new ATOM 0 HA ASP A 45 10.989 1.170 3.853 1.00 73.31 H new ATOM 0 HB2 ASP A 45 12.492 -0.648 4.651 1.00 64.33 H new ATOM 0 HB3 ASP A 45 11.788 0.271 5.967 1.00 64.33 H new ATOM 711 N GLN A 46 9.190 -1.193 2.740 1.00 23.03 N ATOM 712 CA GLN A 46 8.911 -2.103 1.622 1.00 73.43 C ATOM 713 C GLN A 46 8.407 -1.370 0.365 1.00 1.24 C ATOM 714 O GLN A 46 8.445 -1.924 -0.733 1.00 64.33 O ATOM 715 CB GLN A 46 7.875 -3.151 2.055 1.00 64.21 C ATOM 716 CG GLN A 46 8.270 -3.917 3.312 1.00 22.45 C ATOM 717 CD GLN A 46 9.559 -4.706 3.144 1.00 54.22 C ATOM 718 OE1 GLN A 46 9.862 -5.214 2.065 1.00 12.32 O ATOM 719 NE2 GLN A 46 10.348 -4.777 4.196 1.00 71.10 N ATOM 0 H GLN A 46 8.389 -1.016 3.346 1.00 23.03 H new ATOM 0 HA GLN A 46 9.853 -2.583 1.358 1.00 73.43 H new ATOM 0 HB2 GLN A 46 6.919 -2.656 2.227 1.00 64.21 H new ATOM 0 HB3 GLN A 46 7.725 -3.859 1.240 1.00 64.21 H new ATOM 0 HG2 GLN A 46 8.385 -3.215 4.138 1.00 22.45 H new ATOM 0 HG3 GLN A 46 7.465 -4.600 3.583 1.00 22.45 H new ATOM 0 HE21 GLN A 46 10.066 -4.344 5.075 1.00 71.10 H new ATOM 0 HE22 GLN A 46 11.242 -5.265 4.131 1.00 71.10 H new ATOM 728 N VAL A 47 7.943 -0.132 0.516 1.00 2.55 N ATOM 729 CA VAL A 47 7.325 0.594 -0.604 1.00 35.44 C ATOM 730 C VAL A 47 8.364 1.101 -1.629 1.00 33.53 C ATOM 731 O VAL A 47 9.261 1.881 -1.304 1.00 11.30 O ATOM 732 CB VAL A 47 6.453 1.780 -0.106 1.00 55.44 C ATOM 733 CG1 VAL A 47 7.283 2.791 0.685 1.00 60.04 C ATOM 734 CG2 VAL A 47 5.736 2.454 -1.276 1.00 23.33 C ATOM 0 H VAL A 47 7.980 0.390 1.391 1.00 2.55 H new ATOM 0 HA VAL A 47 6.683 -0.128 -1.109 1.00 35.44 H new ATOM 0 HB VAL A 47 5.698 1.377 0.569 1.00 55.44 H new ATOM 0 HG11 VAL A 47 6.642 3.607 1.018 1.00 60.04 H new ATOM 0 HG12 VAL A 47 7.725 2.300 1.552 1.00 60.04 H new ATOM 0 HG13 VAL A 47 8.075 3.188 0.050 1.00 60.04 H new ATOM 0 HG21 VAL A 47 5.131 3.281 -0.904 1.00 23.33 H new ATOM 0 HG22 VAL A 47 6.473 2.833 -1.985 1.00 23.33 H new ATOM 0 HG23 VAL A 47 5.092 1.729 -1.774 1.00 23.33 H new ATOM 744 N ARG A 48 8.258 0.608 -2.862 1.00 2.41 N ATOM 745 CA ARG A 48 9.065 1.118 -3.978 1.00 33.43 C ATOM 746 C ARG A 48 8.417 2.374 -4.587 1.00 14.42 C ATOM 747 O ARG A 48 9.002 3.457 -4.592 1.00 31.40 O ATOM 748 CB ARG A 48 9.230 0.038 -5.056 1.00 45.02 C ATOM 749 CG ARG A 48 10.150 0.443 -6.205 1.00 22.13 C ATOM 750 CD ARG A 48 10.137 -0.589 -7.329 1.00 51.24 C ATOM 751 NE ARG A 48 11.122 -0.292 -8.364 1.00 34.42 N ATOM 752 CZ ARG A 48 10.918 0.505 -9.376 1.00 34.15 C ATOM 753 NH1 ARG A 48 9.786 1.124 -9.520 1.00 35.32 N ATOM 754 NH2 ARG A 48 11.859 0.681 -10.246 1.00 21.03 N ATOM 0 H ARG A 48 7.620 -0.146 -3.117 1.00 2.41 H new ATOM 0 HA ARG A 48 10.049 1.386 -3.593 1.00 33.43 H new ATOM 0 HB2 ARG A 48 9.622 -0.867 -4.592 1.00 45.02 H new ATOM 0 HB3 ARG A 48 8.249 -0.210 -5.460 1.00 45.02 H new ATOM 0 HG2 ARG A 48 9.839 1.411 -6.597 1.00 22.13 H new ATOM 0 HG3 ARG A 48 11.167 0.562 -5.832 1.00 22.13 H new ATOM 0 HD2 ARG A 48 10.336 -1.577 -6.914 1.00 51.24 H new ATOM 0 HD3 ARG A 48 9.143 -0.624 -7.775 1.00 51.24 H new ATOM 0 HE ARG A 48 12.035 -0.740 -8.291 1.00 34.42 H new ATOM 0 HH11 ARG A 48 9.041 0.990 -8.836 1.00 35.32 H new ATOM 0 HH12 ARG A 48 9.642 1.744 -10.317 1.00 35.32 H new ATOM 0 HH21 ARG A 48 12.751 0.198 -10.137 1.00 21.03 H new ATOM 0 HH22 ARG A 48 11.709 1.302 -11.041 1.00 21.03 H new ATOM 768 N THR A 49 7.200 2.201 -5.112 1.00 43.41 N ATOM 769 CA THR A 49 6.439 3.296 -5.745 1.00 63.22 C ATOM 770 C THR A 49 4.926 3.126 -5.527 1.00 1.45 C ATOM 771 O THR A 49 4.427 2.006 -5.403 1.00 11.30 O ATOM 772 CB THR A 49 6.703 3.384 -7.276 1.00 62.30 C ATOM 773 OG1 THR A 49 6.491 2.104 -7.893 1.00 3.45 O ATOM 774 CG2 THR A 49 8.121 3.858 -7.573 1.00 14.11 C ATOM 0 H THR A 49 6.712 1.305 -5.113 1.00 43.41 H new ATOM 0 HA THR A 49 6.783 4.214 -5.268 1.00 63.22 H new ATOM 0 HB THR A 49 6.003 4.111 -7.687 1.00 62.30 H new ATOM 0 HG1 THR A 49 6.659 2.173 -8.856 1.00 3.45 H new ATOM 0 HG21 THR A 49 8.270 3.907 -8.652 1.00 14.11 H new ATOM 0 HG22 THR A 49 8.272 4.847 -7.140 1.00 14.11 H new ATOM 0 HG23 THR A 49 8.836 3.159 -7.140 1.00 14.11 H new ATOM 782 N VAL A 50 4.206 4.250 -5.482 1.00 61.31 N ATOM 783 CA VAL A 50 2.742 4.249 -5.316 1.00 13.32 C ATOM 784 C VAL A 50 2.065 5.068 -6.429 1.00 13.41 C ATOM 785 O VAL A 50 2.294 6.273 -6.548 1.00 21.14 O ATOM 786 CB VAL A 50 2.329 4.836 -3.939 1.00 42.20 C ATOM 787 CG1 VAL A 50 0.810 4.887 -3.793 1.00 65.11 C ATOM 788 CG2 VAL A 50 2.949 4.035 -2.797 1.00 11.33 C ATOM 0 H VAL A 50 4.613 5.182 -5.559 1.00 61.31 H new ATOM 0 HA VAL A 50 2.414 3.211 -5.374 1.00 13.32 H new ATOM 0 HB VAL A 50 2.708 5.857 -3.888 1.00 42.20 H new ATOM 0 HG11 VAL A 50 0.552 5.302 -2.819 1.00 65.11 H new ATOM 0 HG12 VAL A 50 0.390 5.515 -4.578 1.00 65.11 H new ATOM 0 HG13 VAL A 50 0.402 3.880 -3.877 1.00 65.11 H new ATOM 0 HG21 VAL A 50 2.645 4.466 -1.843 1.00 11.33 H new ATOM 0 HG22 VAL A 50 2.610 3.000 -2.852 1.00 11.33 H new ATOM 0 HG23 VAL A 50 4.035 4.066 -2.879 1.00 11.33 H new ATOM 798 N LYS A 51 1.227 4.417 -7.239 1.00 43.25 N ATOM 799 CA LYS A 51 0.587 5.088 -8.385 1.00 11.52 C ATOM 800 C LYS A 51 -0.932 4.860 -8.422 1.00 23.44 C ATOM 801 O LYS A 51 -1.412 3.746 -8.204 1.00 71.22 O ATOM 802 CB LYS A 51 1.203 4.586 -9.699 1.00 24.22 C ATOM 803 CG LYS A 51 2.708 4.819 -9.813 1.00 70.50 C ATOM 804 CD LYS A 51 3.268 4.258 -11.117 1.00 53.45 C ATOM 805 CE LYS A 51 4.779 4.425 -11.207 1.00 11.03 C ATOM 806 NZ LYS A 51 5.321 3.853 -12.468 1.00 21.25 N ATOM 0 H LYS A 51 0.974 3.435 -7.129 1.00 43.25 H new ATOM 0 HA LYS A 51 0.763 6.157 -8.267 1.00 11.52 H new ATOM 0 HB2 LYS A 51 1.003 3.519 -9.797 1.00 24.22 H new ATOM 0 HB3 LYS A 51 0.706 5.081 -10.533 1.00 24.22 H new ATOM 0 HG2 LYS A 51 2.916 5.887 -9.757 1.00 70.50 H new ATOM 0 HG3 LYS A 51 3.214 4.351 -8.968 1.00 70.50 H new ATOM 0 HD2 LYS A 51 3.015 3.201 -11.195 1.00 53.45 H new ATOM 0 HD3 LYS A 51 2.797 4.762 -11.961 1.00 53.45 H new ATOM 0 HE2 LYS A 51 5.032 5.484 -11.149 1.00 11.03 H new ATOM 0 HE3 LYS A 51 5.251 3.937 -10.354 1.00 11.03 H new ATOM 0 HZ1 LYS A 51 6.352 3.985 -12.494 1.00 21.25 H new ATOM 0 HZ2 LYS A 51 5.101 2.837 -12.511 1.00 21.25 H new ATOM 0 HZ3 LYS A 51 4.889 4.336 -13.282 1.00 21.25 H new ATOM 820 N ASP A 52 -1.683 5.925 -8.701 1.00 23.21 N ATOM 821 CA ASP A 52 -3.126 5.819 -8.933 1.00 40.31 C ATOM 822 C ASP A 52 -3.408 5.062 -10.245 1.00 12.34 C ATOM 823 O ASP A 52 -2.869 5.414 -11.295 1.00 74.25 O ATOM 824 CB ASP A 52 -3.759 7.217 -9.006 1.00 21.02 C ATOM 825 CG ASP A 52 -3.666 7.979 -7.694 1.00 1.43 C ATOM 826 OD1 ASP A 52 -4.388 7.624 -6.739 1.00 15.14 O ATOM 827 OD2 ASP A 52 -2.856 8.924 -7.607 1.00 74.02 O ATOM 0 H ASP A 52 -1.316 6.874 -8.772 1.00 23.21 H new ATOM 0 HA ASP A 52 -3.564 5.268 -8.101 1.00 40.31 H new ATOM 0 HB2 ASP A 52 -3.267 7.792 -9.790 1.00 21.02 H new ATOM 0 HB3 ASP A 52 -4.807 7.121 -9.291 1.00 21.02 H new