USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 390 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 28 MET CE :methyl -175:sc= -2.5 (180deg=-1.78) USER MOD Set 1.2: A 45 CYS SG : rot 77:sc= -0.445 USER MOD Set 2.1: A 4 THR OG1 : rot 128:sc= -0.198 USER MOD Set 2.2: A 7 MET CE :methyl 180:sc=-8.62e-05 (180deg=-8.62e-05) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -79:sc= -0.513! USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 26 ASN : amide:sc= 0.325 K(o=0.33,f=-0.37) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0989 USER MOD Single : A 48 HIS : no HD1:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 140:sc= 1.26 (180deg=0.969) USER MOD Single : A 60 ASN : amide:sc= 0.312 X(o=0.31,f=0.58) USER MOD Single : A 62 TYR OH : rot -178:sc= -0.44 USER MOD ----------------------------------------------------------------- ATOM 42 N ILE A 3 9.639 -1.619 2.772 1.00 43.25 N ATOM 43 CA ILE A 3 8.336 -2.291 2.780 1.00 20.54 C ATOM 44 C ILE A 3 8.391 -3.632 2.031 1.00 70.15 C ATOM 45 O ILE A 3 8.991 -3.730 0.959 1.00 52.44 O ATOM 46 CB ILE A 3 7.246 -1.394 2.130 1.00 75.14 C ATOM 47 CG1 ILE A 3 7.198 -0.013 2.811 1.00 14.51 C ATOM 48 CG2 ILE A 3 5.873 -2.069 2.184 1.00 11.22 C ATOM 49 CD1 ILE A 3 6.832 -0.054 4.282 1.00 13.24 C ATOM 0 HA ILE A 3 8.080 -2.478 3.823 1.00 20.54 H new ATOM 0 HB ILE A 3 7.511 -1.252 1.082 1.00 75.14 H new ATOM 0 HG12 ILE A 3 8.171 0.466 2.704 1.00 14.51 H new ATOM 0 HG13 ILE A 3 6.476 0.613 2.286 1.00 14.51 H new ATOM 0 HG21 ILE A 3 5.130 -1.419 1.722 1.00 11.22 H new ATOM 0 HG22 ILE A 3 5.912 -3.016 1.646 1.00 11.22 H new ATOM 0 HG23 ILE A 3 5.599 -2.253 3.223 1.00 11.22 H new ATOM 0 HD11 ILE A 3 6.821 0.960 4.683 1.00 13.24 H new ATOM 0 HD12 ILE A 3 5.845 -0.501 4.399 1.00 13.24 H new ATOM 0 HD13 ILE A 3 7.567 -0.650 4.823 1.00 13.24 H new ATOM 61 N THR A 4 7.756 -4.657 2.597 1.00 43.52 N ATOM 62 CA THR A 4 7.708 -5.988 1.974 1.00 74.44 C ATOM 63 C THR A 4 6.260 -6.437 1.729 1.00 43.12 C ATOM 64 O THR A 4 5.338 -5.998 2.417 1.00 0.41 O ATOM 65 CB THR A 4 8.432 -7.059 2.830 1.00 63.54 C ATOM 66 OG1 THR A 4 7.847 -7.139 4.141 1.00 13.03 O ATOM 67 CG2 THR A 4 9.922 -6.747 2.952 1.00 24.43 C ATOM 0 H THR A 4 7.265 -4.595 3.489 1.00 43.52 H new ATOM 0 HA THR A 4 8.226 -5.897 1.019 1.00 74.44 H new ATOM 0 HB THR A 4 8.316 -8.019 2.327 1.00 63.54 H new ATOM 0 HG1 THR A 4 7.613 -8.070 4.338 1.00 13.03 H new ATOM 0 HG21 THR A 4 10.406 -7.514 3.557 1.00 24.43 H new ATOM 0 HG22 THR A 4 10.373 -6.730 1.960 1.00 24.43 H new ATOM 0 HG23 THR A 4 10.052 -5.774 3.426 1.00 24.43 H new ATOM 75 N LYS A 5 6.073 -7.319 0.749 1.00 61.13 N ATOM 76 CA LYS A 5 4.736 -7.783 0.342 1.00 34.01 C ATOM 77 C LYS A 5 3.901 -8.334 1.516 1.00 65.43 C ATOM 78 O LYS A 5 2.678 -8.189 1.536 1.00 4.55 O ATOM 79 CB LYS A 5 4.877 -8.858 -0.744 1.00 64.22 C ATOM 80 CG LYS A 5 5.623 -10.107 -0.277 1.00 34.35 C ATOM 81 CD LYS A 5 5.840 -11.101 -1.414 1.00 43.33 C ATOM 82 CE LYS A 5 6.783 -10.550 -2.479 1.00 51.22 C ATOM 83 NZ LYS A 5 7.020 -11.529 -3.572 1.00 74.41 N ATOM 0 H LYS A 5 6.836 -7.734 0.213 1.00 61.13 H new ATOM 0 HA LYS A 5 4.200 -6.915 -0.043 1.00 34.01 H new ATOM 0 HB2 LYS A 5 3.884 -9.146 -1.089 1.00 64.22 H new ATOM 0 HB3 LYS A 5 5.400 -8.431 -1.600 1.00 64.22 H new ATOM 0 HG2 LYS A 5 6.587 -9.818 0.141 1.00 34.35 H new ATOM 0 HG3 LYS A 5 5.060 -10.588 0.523 1.00 34.35 H new ATOM 0 HD2 LYS A 5 6.248 -12.028 -1.012 1.00 43.33 H new ATOM 0 HD3 LYS A 5 4.881 -11.346 -1.870 1.00 43.33 H new ATOM 0 HE2 LYS A 5 6.363 -9.635 -2.897 1.00 51.22 H new ATOM 0 HE3 LYS A 5 7.734 -10.283 -2.018 1.00 51.22 H new ATOM 0 HZ1 LYS A 5 7.666 -11.115 -4.275 1.00 74.41 H new ATOM 0 HZ2 LYS A 5 7.444 -12.393 -3.178 1.00 74.41 H new ATOM 0 HZ3 LYS A 5 6.116 -11.765 -4.029 1.00 74.41 H new ATOM 97 N ASP A 6 4.561 -8.959 2.490 1.00 61.21 N ATOM 98 CA ASP A 6 3.876 -9.585 3.623 1.00 34.11 C ATOM 99 C ASP A 6 3.420 -8.565 4.686 1.00 31.53 C ATOM 100 O ASP A 6 2.782 -8.937 5.675 1.00 44.43 O ATOM 101 CB ASP A 6 4.802 -10.624 4.253 1.00 5.22 C ATOM 102 CG ASP A 6 6.136 -10.029 4.658 1.00 11.52 C ATOM 103 OD1 ASP A 6 7.016 -9.892 3.785 1.00 51.55 O ATOM 104 OD2 ASP A 6 6.305 -9.678 5.843 1.00 1.44 O ATOM 0 H ASP A 6 5.577 -9.046 2.518 1.00 61.21 H new ATOM 0 HA ASP A 6 2.972 -10.060 3.242 1.00 34.11 H new ATOM 0 HB2 ASP A 6 4.318 -11.057 5.129 1.00 5.22 H new ATOM 0 HB3 ASP A 6 4.968 -11.437 3.546 1.00 5.22 H new ATOM 109 N MET A 7 3.751 -7.290 4.495 1.00 31.22 N ATOM 110 CA MET A 7 3.340 -6.237 5.434 1.00 13.21 C ATOM 111 C MET A 7 1.839 -5.918 5.309 1.00 71.15 C ATOM 112 O MET A 7 1.246 -6.055 4.238 1.00 43.13 O ATOM 113 CB MET A 7 4.177 -4.969 5.218 1.00 54.02 C ATOM 114 CG MET A 7 5.624 -5.107 5.673 1.00 44.24 C ATOM 115 SD MET A 7 6.581 -3.600 5.408 1.00 0.43 S ATOM 116 CE MET A 7 8.137 -4.044 6.182 1.00 35.42 C ATOM 0 H MET A 7 4.301 -6.957 3.703 1.00 31.22 H new ATOM 0 HA MET A 7 3.516 -6.609 6.444 1.00 13.21 H new ATOM 0 HB2 MET A 7 4.161 -4.710 4.159 1.00 54.02 H new ATOM 0 HB3 MET A 7 3.713 -4.142 5.756 1.00 54.02 H new ATOM 0 HG2 MET A 7 5.645 -5.365 6.732 1.00 44.24 H new ATOM 0 HG3 MET A 7 6.093 -5.931 5.135 1.00 44.24 H new ATOM 0 HE1 MET A 7 8.835 -3.211 6.100 1.00 35.42 H new ATOM 0 HE2 MET A 7 7.968 -4.273 7.234 1.00 35.42 H new ATOM 0 HE3 MET A 7 8.555 -4.918 5.683 1.00 35.42 H new ATOM 126 N ILE A 8 1.237 -5.484 6.411 1.00 52.01 N ATOM 127 CA ILE A 8 -0.205 -5.214 6.461 1.00 23.13 C ATOM 128 C ILE A 8 -0.543 -3.848 5.841 1.00 32.31 C ATOM 129 O ILE A 8 0.067 -2.836 6.185 1.00 44.03 O ATOM 130 CB ILE A 8 -0.721 -5.253 7.922 1.00 55.11 C ATOM 131 CG1 ILE A 8 -0.431 -6.623 8.561 1.00 13.42 C ATOM 132 CG2 ILE A 8 -2.214 -4.927 7.986 1.00 72.33 C ATOM 133 CD1 ILE A 8 -1.058 -7.793 7.831 1.00 14.42 C ATOM 0 H ILE A 8 1.725 -5.309 7.290 1.00 52.01 H new ATOM 0 HA ILE A 8 -0.698 -5.994 5.881 1.00 23.13 H new ATOM 0 HB ILE A 8 -0.189 -4.490 8.490 1.00 55.11 H new ATOM 0 HG12 ILE A 8 0.648 -6.771 8.603 1.00 13.42 H new ATOM 0 HG13 ILE A 8 -0.792 -6.615 9.590 1.00 13.42 H new ATOM 0 HG21 ILE A 8 -2.550 -4.961 9.022 1.00 72.33 H new ATOM 0 HG22 ILE A 8 -2.386 -3.930 7.582 1.00 72.33 H new ATOM 0 HG23 ILE A 8 -2.771 -5.657 7.400 1.00 72.33 H new ATOM 0 HD11 ILE A 8 -0.806 -8.720 8.345 1.00 14.42 H new ATOM 0 HD12 ILE A 8 -2.141 -7.672 7.812 1.00 14.42 H new ATOM 0 HD13 ILE A 8 -0.679 -7.830 6.810 1.00 14.42 H new ATOM 145 N ILE A 9 -1.534 -3.819 4.947 1.00 42.52 N ATOM 146 CA ILE A 9 -1.923 -2.576 4.261 1.00 44.13 C ATOM 147 C ILE A 9 -2.287 -1.462 5.256 1.00 11.21 C ATOM 148 O ILE A 9 -1.762 -0.350 5.171 1.00 63.54 O ATOM 149 CB ILE A 9 -3.112 -2.808 3.292 1.00 21.14 C ATOM 150 CG1 ILE A 9 -2.721 -3.814 2.196 1.00 43.13 C ATOM 151 CG2 ILE A 9 -3.582 -1.488 2.674 1.00 4.24 C ATOM 152 CD1 ILE A 9 -3.799 -4.042 1.155 1.00 41.23 C ATOM 0 H ILE A 9 -2.082 -4.636 4.679 1.00 42.52 H new ATOM 0 HA ILE A 9 -1.053 -2.259 3.686 1.00 44.13 H new ATOM 0 HB ILE A 9 -3.942 -3.224 3.863 1.00 21.14 H new ATOM 0 HG12 ILE A 9 -1.818 -3.460 1.698 1.00 43.13 H new ATOM 0 HG13 ILE A 9 -2.474 -4.767 2.663 1.00 43.13 H new ATOM 0 HG21 ILE A 9 -4.416 -1.679 1.999 1.00 4.24 H new ATOM 0 HG22 ILE A 9 -3.903 -0.810 3.465 1.00 4.24 H new ATOM 0 HG23 ILE A 9 -2.762 -1.034 2.118 1.00 4.24 H new ATOM 0 HD11 ILE A 9 -3.446 -4.763 0.418 1.00 41.23 H new ATOM 0 HD12 ILE A 9 -4.697 -4.427 1.639 1.00 41.23 H new ATOM 0 HD13 ILE A 9 -4.030 -3.100 0.658 1.00 41.23 H new ATOM 164 N ALA A 10 -3.178 -1.765 6.202 1.00 71.32 N ATOM 165 CA ALA A 10 -3.573 -0.792 7.228 1.00 14.14 C ATOM 166 C ALA A 10 -2.354 -0.272 8.006 1.00 52.42 C ATOM 167 O ALA A 10 -2.258 0.917 8.309 1.00 54.20 O ATOM 168 CB ALA A 10 -4.583 -1.409 8.189 1.00 13.45 C ATOM 0 H ALA A 10 -3.639 -2.671 6.281 1.00 71.32 H new ATOM 0 HA ALA A 10 -4.037 0.054 6.720 1.00 14.14 H new ATOM 0 HB1 ALA A 10 -4.864 -0.674 8.943 1.00 13.45 H new ATOM 0 HB2 ALA A 10 -5.469 -1.719 7.636 1.00 13.45 H new ATOM 0 HB3 ALA A 10 -4.138 -2.276 8.677 1.00 13.45 H new ATOM 174 N ASP A 11 -1.419 -1.174 8.310 1.00 51.15 N ATOM 175 CA ASP A 11 -0.200 -0.816 9.048 1.00 74.15 C ATOM 176 C ASP A 11 0.660 0.171 8.234 1.00 41.44 C ATOM 177 O ASP A 11 1.167 1.160 8.771 1.00 75.13 O ATOM 178 CB ASP A 11 0.595 -2.086 9.382 1.00 72.14 C ATOM 179 CG ASP A 11 1.731 -1.836 10.361 1.00 33.00 C ATOM 180 OD1 ASP A 11 1.463 -1.733 11.573 1.00 2.01 O ATOM 181 OD2 ASP A 11 2.898 -1.757 9.923 1.00 22.11 O ATOM 0 H ASP A 11 -1.480 -2.160 8.057 1.00 51.15 H new ATOM 0 HA ASP A 11 -0.482 -0.323 9.978 1.00 74.15 H new ATOM 0 HB2 ASP A 11 -0.081 -2.831 9.801 1.00 72.14 H new ATOM 0 HB3 ASP A 11 1.002 -2.506 8.462 1.00 72.14 H new ATOM 186 N VAL A 12 0.801 -0.094 6.932 1.00 3.44 N ATOM 187 CA VAL A 12 1.502 0.827 6.021 1.00 44.13 C ATOM 188 C VAL A 12 0.799 2.195 5.972 1.00 11.50 C ATOM 189 O VAL A 12 1.447 3.245 5.980 1.00 54.44 O ATOM 190 CB VAL A 12 1.598 0.241 4.586 1.00 2.13 C ATOM 191 CG1 VAL A 12 2.323 1.205 3.645 1.00 4.32 C ATOM 192 CG2 VAL A 12 2.291 -1.121 4.605 1.00 71.33 C ATOM 0 H VAL A 12 0.441 -0.936 6.482 1.00 3.44 H new ATOM 0 HA VAL A 12 2.511 0.959 6.412 1.00 44.13 H new ATOM 0 HB VAL A 12 0.584 0.105 4.210 1.00 2.13 H new ATOM 0 HG11 VAL A 12 2.376 0.769 2.647 1.00 4.32 H new ATOM 0 HG12 VAL A 12 1.779 2.148 3.600 1.00 4.32 H new ATOM 0 HG13 VAL A 12 3.332 1.386 4.016 1.00 4.32 H new ATOM 0 HG21 VAL A 12 2.348 -1.514 3.590 1.00 71.33 H new ATOM 0 HG22 VAL A 12 3.297 -1.012 5.009 1.00 71.33 H new ATOM 0 HG23 VAL A 12 1.722 -1.810 5.230 1.00 71.33 H new ATOM 202 N LEU A 13 -0.534 2.172 5.933 1.00 72.35 N ATOM 203 CA LEU A 13 -1.338 3.399 5.987 1.00 43.15 C ATOM 204 C LEU A 13 -1.104 4.158 7.302 1.00 63.42 C ATOM 205 O LEU A 13 -1.103 5.392 7.333 1.00 53.10 O ATOM 206 CB LEU A 13 -2.829 3.065 5.842 1.00 64.22 C ATOM 207 CG LEU A 13 -3.229 2.393 4.520 1.00 53.43 C ATOM 208 CD1 LEU A 13 -4.722 2.071 4.509 1.00 45.25 C ATOM 209 CD2 LEU A 13 -2.862 3.282 3.337 1.00 42.01 C ATOM 0 H LEU A 13 -1.083 1.315 5.864 1.00 72.35 H new ATOM 0 HA LEU A 13 -1.028 4.038 5.160 1.00 43.15 H new ATOM 0 HB2 LEU A 13 -3.119 2.411 6.664 1.00 64.22 H new ATOM 0 HB3 LEU A 13 -3.402 3.986 5.950 1.00 64.22 H new ATOM 0 HG LEU A 13 -2.678 1.457 4.430 1.00 53.43 H new ATOM 0 HD11 LEU A 13 -4.985 1.596 3.564 1.00 45.25 H new ATOM 0 HD12 LEU A 13 -4.955 1.395 5.332 1.00 45.25 H new ATOM 0 HD13 LEU A 13 -5.294 2.992 4.623 1.00 45.25 H new ATOM 0 HD21 LEU A 13 -3.152 2.790 2.409 1.00 42.01 H new ATOM 0 HD22 LEU A 13 -3.385 4.235 3.422 1.00 42.01 H new ATOM 0 HD23 LEU A 13 -1.786 3.457 3.334 1.00 42.01 H new ATOM 221 N GLN A 14 -0.912 3.409 8.390 1.00 54.01 N ATOM 222 CA GLN A 14 -0.620 4.001 9.698 1.00 12.42 C ATOM 223 C GLN A 14 0.762 4.673 9.719 1.00 42.25 C ATOM 224 O GLN A 14 1.019 5.542 10.551 1.00 13.45 O ATOM 225 CB GLN A 14 -0.727 2.944 10.808 1.00 23.33 C ATOM 226 CG GLN A 14 -2.152 2.432 11.025 1.00 61.44 C ATOM 227 CD GLN A 14 -2.252 1.384 12.124 1.00 64.04 C ATOM 228 OE1 GLN A 14 -1.313 0.637 12.376 1.00 5.02 O ATOM 229 NE2 GLN A 14 -3.396 1.306 12.778 1.00 62.22 N ATOM 0 H GLN A 14 -0.954 2.390 8.391 1.00 54.01 H new ATOM 0 HA GLN A 14 -1.365 4.775 9.883 1.00 12.42 H new ATOM 0 HB2 GLN A 14 -0.080 2.102 10.561 1.00 23.33 H new ATOM 0 HB3 GLN A 14 -0.356 3.369 11.741 1.00 23.33 H new ATOM 0 HG2 GLN A 14 -2.799 3.273 11.274 1.00 61.44 H new ATOM 0 HG3 GLN A 14 -2.525 2.008 10.093 1.00 61.44 H new ATOM 0 HE21 GLN A 14 -4.160 1.941 12.547 1.00 62.22 H new ATOM 0 HE22 GLN A 14 -3.516 0.611 13.515 1.00 62.22 H new ATOM 238 N MET A 15 1.650 4.265 8.811 1.00 50.32 N ATOM 239 CA MET A 15 2.929 4.965 8.625 1.00 31.21 C ATOM 240 C MET A 15 2.689 6.292 7.894 1.00 21.22 C ATOM 241 O MET A 15 3.006 7.369 8.403 1.00 73.23 O ATOM 242 CB MET A 15 3.918 4.111 7.822 1.00 2.03 C ATOM 243 CG MET A 15 4.014 2.669 8.289 1.00 51.12 C ATOM 244 SD MET A 15 5.365 1.774 7.494 1.00 74.53 S ATOM 245 CE MET A 15 5.119 0.128 8.161 1.00 13.41 C ATOM 0 H MET A 15 1.513 3.462 8.197 1.00 50.32 H new ATOM 0 HA MET A 15 3.359 5.154 9.609 1.00 31.21 H new ATOM 0 HB2 MET A 15 3.623 4.123 6.773 1.00 2.03 H new ATOM 0 HB3 MET A 15 4.906 4.567 7.881 1.00 2.03 H new ATOM 0 HG2 MET A 15 4.155 2.649 9.370 1.00 51.12 H new ATOM 0 HG3 MET A 15 3.073 2.160 8.081 1.00 51.12 H new ATOM 0 HE1 MET A 15 5.879 -0.544 7.762 1.00 13.41 H new ATOM 0 HE2 MET A 15 5.197 0.160 9.248 1.00 13.41 H new ATOM 0 HE3 MET A 15 4.131 -0.235 7.879 1.00 13.41 H new ATOM 255 N ASP A 16 2.113 6.194 6.697 1.00 14.51 N ATOM 256 CA ASP A 16 1.731 7.376 5.914 1.00 73.43 C ATOM 257 C ASP A 16 0.461 7.099 5.089 1.00 70.41 C ATOM 258 O ASP A 16 0.398 6.122 4.338 1.00 74.23 O ATOM 259 CB ASP A 16 2.875 7.800 4.984 1.00 72.45 C ATOM 260 CG ASP A 16 2.678 9.206 4.446 1.00 23.11 C ATOM 261 OD1 ASP A 16 3.066 10.168 5.140 1.00 41.03 O ATOM 262 OD2 ASP A 16 2.121 9.363 3.345 1.00 20.42 O ATOM 0 H ASP A 16 1.898 5.306 6.244 1.00 14.51 H new ATOM 0 HA ASP A 16 1.524 8.188 6.611 1.00 73.43 H new ATOM 0 HB2 ASP A 16 3.820 7.748 5.524 1.00 72.45 H new ATOM 0 HB3 ASP A 16 2.944 7.100 4.152 1.00 72.45 H new ATOM 267 N ARG A 17 -0.543 7.970 5.220 1.00 62.13 N ATOM 268 CA ARG A 17 -1.805 7.812 4.484 1.00 73.11 C ATOM 269 C ARG A 17 -1.620 8.051 2.976 1.00 32.52 C ATOM 270 O ARG A 17 -2.459 7.650 2.168 1.00 23.42 O ATOM 271 CB ARG A 17 -2.875 8.767 5.032 1.00 61.23 C ATOM 272 CG ARG A 17 -3.322 8.458 6.459 1.00 2.35 C ATOM 273 CD ARG A 17 -3.870 7.039 6.597 1.00 3.24 C ATOM 274 NE ARG A 17 -4.591 6.850 7.856 1.00 20.34 N ATOM 275 CZ ARG A 17 -4.035 6.553 8.999 1.00 3.21 C ATOM 276 NH1 ARG A 17 -2.752 6.406 9.095 1.00 65.13 N ATOM 277 NH2 ARG A 17 -4.772 6.389 10.050 1.00 42.44 N ATOM 0 H ARG A 17 -0.509 8.790 5.826 1.00 62.13 H new ATOM 0 HA ARG A 17 -2.133 6.782 4.627 1.00 73.11 H new ATOM 0 HB2 ARG A 17 -2.488 9.785 4.997 1.00 61.23 H new ATOM 0 HB3 ARG A 17 -3.745 8.734 4.376 1.00 61.23 H new ATOM 0 HG2 ARG A 17 -2.479 8.588 7.138 1.00 2.35 H new ATOM 0 HG3 ARG A 17 -4.088 9.172 6.761 1.00 2.35 H new ATOM 0 HD2 ARG A 17 -4.537 6.825 5.762 1.00 3.24 H new ATOM 0 HD3 ARG A 17 -3.048 6.326 6.539 1.00 3.24 H new ATOM 0 HE ARG A 17 -5.605 6.959 7.839 1.00 20.34 H new ATOM 0 HH11 ARG A 17 -2.162 6.522 8.271 1.00 65.13 H new ATOM 0 HH12 ARG A 17 -2.331 6.174 9.995 1.00 65.13 H new ATOM 0 HH21 ARG A 17 -5.785 6.492 9.984 1.00 42.44 H new ATOM 0 HH22 ARG A 17 -4.340 6.157 10.944 1.00 42.44 H new ATOM 291 N GLY A 18 -0.514 8.696 2.602 1.00 42.40 N ATOM 292 CA GLY A 18 -0.231 8.960 1.192 1.00 3.53 C ATOM 293 C GLY A 18 0.051 7.693 0.387 1.00 71.13 C ATOM 294 O GLY A 18 0.193 7.741 -0.835 1.00 44.24 O ATOM 0 H GLY A 18 0.194 9.042 3.250 1.00 42.40 H new ATOM 0 HA2 GLY A 18 -1.079 9.482 0.750 1.00 3.53 H new ATOM 0 HA3 GLY A 18 0.628 9.627 1.119 1.00 3.53 H new ATOM 298 N THR A 19 0.142 6.558 1.074 1.00 1.14 N ATOM 299 CA THR A 19 0.299 5.259 0.412 1.00 10.21 C ATOM 300 C THR A 19 -1.053 4.716 -0.077 1.00 70.53 C ATOM 301 O THR A 19 -1.106 3.885 -0.986 1.00 11.21 O ATOM 302 CB THR A 19 0.944 4.216 1.355 1.00 43.33 C ATOM 303 OG1 THR A 19 0.109 4.008 2.501 1.00 43.54 O ATOM 304 CG2 THR A 19 2.333 4.666 1.806 1.00 32.54 C ATOM 0 H THR A 19 0.110 6.508 2.092 1.00 1.14 H new ATOM 0 HA THR A 19 0.955 5.422 -0.443 1.00 10.21 H new ATOM 0 HB THR A 19 1.047 3.281 0.804 1.00 43.33 H new ATOM 0 HG1 THR A 19 0.236 4.744 3.136 1.00 43.54 H new ATOM 0 HG21 THR A 19 2.762 3.914 2.468 1.00 32.54 H new ATOM 0 HG22 THR A 19 2.976 4.792 0.935 1.00 32.54 H new ATOM 0 HG23 THR A 19 2.253 5.614 2.338 1.00 32.54 H new ATOM 312 N ALA A 20 -2.146 5.210 0.515 1.00 71.44 N ATOM 313 CA ALA A 20 -3.503 4.774 0.144 1.00 31.14 C ATOM 314 C ALA A 20 -3.794 4.988 -1.357 1.00 3.33 C ATOM 315 O ALA A 20 -4.227 4.056 -2.039 1.00 13.53 O ATOM 316 CB ALA A 20 -4.550 5.477 1.009 1.00 73.14 C ATOM 0 H ALA A 20 -2.121 5.913 1.254 1.00 71.44 H new ATOM 0 HA ALA A 20 -3.561 3.701 0.330 1.00 31.14 H new ATOM 0 HB1 ALA A 20 -5.546 5.142 0.720 1.00 73.14 H new ATOM 0 HB2 ALA A 20 -4.377 5.236 2.058 1.00 73.14 H new ATOM 0 HB3 ALA A 20 -4.475 6.555 0.867 1.00 73.14 H new ATOM 322 N PRO A 21 -3.557 6.207 -1.910 1.00 53.22 N ATOM 323 CA PRO A 21 -3.737 6.458 -3.353 1.00 53.12 C ATOM 324 C PRO A 21 -2.857 5.540 -4.219 1.00 74.22 C ATOM 325 O PRO A 21 -3.183 5.262 -5.370 1.00 1.23 O ATOM 326 CB PRO A 21 -3.330 7.933 -3.530 1.00 54.31 C ATOM 327 CG PRO A 21 -2.545 8.272 -2.307 1.00 33.31 C ATOM 328 CD PRO A 21 -3.119 7.428 -1.202 1.00 11.43 C ATOM 0 HA PRO A 21 -4.759 6.254 -3.673 1.00 53.12 H new ATOM 0 HB2 PRO A 21 -2.733 8.071 -4.432 1.00 54.31 H new ATOM 0 HB3 PRO A 21 -4.206 8.574 -3.626 1.00 54.31 H new ATOM 0 HG2 PRO A 21 -1.486 8.059 -2.451 1.00 33.31 H new ATOM 0 HG3 PRO A 21 -2.628 9.333 -2.071 1.00 33.31 H new ATOM 0 HD2 PRO A 21 -2.376 7.206 -0.436 1.00 11.43 H new ATOM 0 HD3 PRO A 21 -3.951 7.926 -0.704 1.00 11.43 H new ATOM 336 N ILE A 22 -1.743 5.067 -3.656 1.00 22.45 N ATOM 337 CA ILE A 22 -0.859 4.124 -4.353 1.00 63.22 C ATOM 338 C ILE A 22 -1.496 2.728 -4.417 1.00 53.25 C ATOM 339 O ILE A 22 -1.496 2.076 -5.466 1.00 60.50 O ATOM 340 CB ILE A 22 0.523 4.030 -3.661 1.00 34.31 C ATOM 341 CG1 ILE A 22 1.144 5.431 -3.527 1.00 72.11 C ATOM 342 CG2 ILE A 22 1.455 3.093 -4.436 1.00 62.55 C ATOM 343 CD1 ILE A 22 2.447 5.451 -2.759 1.00 2.44 C ATOM 0 H ILE A 22 -1.430 5.320 -2.719 1.00 22.45 H new ATOM 0 HA ILE A 22 -0.716 4.501 -5.366 1.00 63.22 H new ATOM 0 HB ILE A 22 0.385 3.615 -2.663 1.00 34.31 H new ATOM 0 HG12 ILE A 22 1.314 5.839 -4.523 1.00 72.11 H new ATOM 0 HG13 ILE A 22 0.430 6.088 -3.030 1.00 72.11 H new ATOM 0 HG21 ILE A 22 2.420 3.042 -3.932 1.00 62.55 H new ATOM 0 HG22 ILE A 22 1.015 2.097 -4.480 1.00 62.55 H new ATOM 0 HG23 ILE A 22 1.594 3.473 -5.448 1.00 62.55 H new ATOM 0 HD11 ILE A 22 2.823 6.473 -2.707 1.00 2.44 H new ATOM 0 HD12 ILE A 22 2.280 5.074 -1.750 1.00 2.44 H new ATOM 0 HD13 ILE A 22 3.178 4.821 -3.266 1.00 2.44 H new ATOM 355 N PHE A 23 -2.045 2.273 -3.291 1.00 21.42 N ATOM 356 CA PHE A 23 -2.814 1.026 -3.261 1.00 42.55 C ATOM 357 C PHE A 23 -3.983 1.088 -4.263 1.00 3.21 C ATOM 358 O PHE A 23 -4.146 0.202 -5.107 1.00 54.23 O ATOM 359 CB PHE A 23 -3.349 0.746 -1.847 1.00 62.54 C ATOM 360 CG PHE A 23 -2.283 0.388 -0.838 1.00 23.10 C ATOM 361 CD1 PHE A 23 -1.588 -0.810 -0.939 1.00 53.52 C ATOM 362 CD2 PHE A 23 -1.982 1.242 0.214 1.00 41.42 C ATOM 363 CE1 PHE A 23 -0.618 -1.146 -0.013 1.00 11.12 C ATOM 364 CE2 PHE A 23 -1.015 0.908 1.143 1.00 41.23 C ATOM 365 CZ PHE A 23 -0.330 -0.285 1.028 1.00 60.43 C ATOM 0 H PHE A 23 -1.973 2.746 -2.390 1.00 21.42 H new ATOM 0 HA PHE A 23 -2.147 0.213 -3.546 1.00 42.55 H new ATOM 0 HB2 PHE A 23 -3.886 1.626 -1.494 1.00 62.54 H new ATOM 0 HB3 PHE A 23 -4.071 -0.069 -1.899 1.00 62.54 H new ATOM 0 HD1 PHE A 23 -1.808 -1.487 -1.751 1.00 53.52 H new ATOM 0 HD2 PHE A 23 -2.510 2.179 0.308 1.00 41.42 H new ATOM 0 HE1 PHE A 23 -0.086 -2.081 -0.104 1.00 11.12 H new ATOM 0 HE2 PHE A 23 -0.795 1.580 1.959 1.00 41.23 H new ATOM 0 HZ PHE A 23 0.430 -0.545 1.751 1.00 60.43 H new ATOM 375 N ILE A 24 -4.786 2.150 -4.169 1.00 22.02 N ATOM 376 CA ILE A 24 -5.906 2.367 -5.096 1.00 41.21 C ATOM 377 C ILE A 24 -5.416 2.473 -6.554 1.00 54.43 C ATOM 378 O ILE A 24 -6.065 1.979 -7.478 1.00 22.14 O ATOM 379 CB ILE A 24 -6.702 3.647 -4.723 1.00 11.55 C ATOM 380 CG1 ILE A 24 -7.234 3.546 -3.280 1.00 22.21 C ATOM 381 CG2 ILE A 24 -7.849 3.882 -5.710 1.00 41.54 C ATOM 382 CD1 ILE A 24 -7.964 4.788 -2.804 1.00 63.33 C ATOM 0 H ILE A 24 -4.684 2.876 -3.460 1.00 22.02 H new ATOM 0 HA ILE A 24 -6.564 1.502 -5.009 1.00 41.21 H new ATOM 0 HB ILE A 24 -6.027 4.501 -4.783 1.00 11.55 H new ATOM 0 HG12 ILE A 24 -7.908 2.692 -3.211 1.00 22.21 H new ATOM 0 HG13 ILE A 24 -6.399 3.348 -2.608 1.00 22.21 H new ATOM 0 HG21 ILE A 24 -8.392 4.784 -5.428 1.00 41.54 H new ATOM 0 HG22 ILE A 24 -7.445 4.001 -6.715 1.00 41.54 H new ATOM 0 HG23 ILE A 24 -8.527 3.029 -5.690 1.00 41.54 H new ATOM 0 HD11 ILE A 24 -8.307 4.638 -1.780 1.00 63.33 H new ATOM 0 HD12 ILE A 24 -7.289 5.643 -2.839 1.00 63.33 H new ATOM 0 HD13 ILE A 24 -8.821 4.976 -3.450 1.00 63.33 H new ATOM 394 N ASN A 25 -4.259 3.104 -6.745 1.00 3.24 N ATOM 395 CA ASN A 25 -3.625 3.214 -8.067 1.00 55.30 C ATOM 396 C ASN A 25 -3.406 1.825 -8.699 1.00 73.02 C ATOM 397 O ASN A 25 -3.489 1.659 -9.917 1.00 61.44 O ATOM 398 CB ASN A 25 -2.283 3.951 -7.926 1.00 3.54 C ATOM 399 CG ASN A 25 -1.602 4.235 -9.253 1.00 21.33 C ATOM 400 OD1 ASN A 25 -2.252 4.426 -10.272 1.00 74.10 O ATOM 401 ND2 ASN A 25 -0.283 4.274 -9.249 1.00 4.42 N ATOM 0 H ASN A 25 -3.733 3.553 -5.995 1.00 3.24 H new ATOM 0 HA ASN A 25 -4.287 3.777 -8.725 1.00 55.30 H new ATOM 0 HB2 ASN A 25 -2.449 4.893 -7.404 1.00 3.54 H new ATOM 0 HB3 ASN A 25 -1.615 3.355 -7.304 1.00 3.54 H new ATOM 0 HD21 ASN A 25 0.224 4.468 -10.113 1.00 4.42 H new ATOM 0 HD22 ASN A 25 0.229 4.110 -8.382 1.00 4.42 H new ATOM 408 N ASN A 26 -3.130 0.828 -7.858 1.00 21.25 N ATOM 409 CA ASN A 26 -2.929 -0.552 -8.323 1.00 63.00 C ATOM 410 C ASN A 26 -4.239 -1.366 -8.319 1.00 55.35 C ATOM 411 O ASN A 26 -4.260 -2.516 -8.758 1.00 33.33 O ATOM 412 CB ASN A 26 -1.859 -1.245 -7.472 1.00 72.11 C ATOM 413 CG ASN A 26 -0.452 -0.801 -7.847 1.00 0.10 C ATOM 414 OD1 ASN A 26 0.199 -1.418 -8.684 1.00 42.30 O ATOM 415 ND2 ASN A 26 0.019 0.276 -7.246 1.00 11.41 N ATOM 0 H ASN A 26 -3.040 0.947 -6.849 1.00 21.25 H new ATOM 0 HA ASN A 26 -2.588 -0.503 -9.357 1.00 63.00 H new ATOM 0 HB2 ASN A 26 -2.038 -1.029 -6.419 1.00 72.11 H new ATOM 0 HB3 ASN A 26 -1.943 -2.325 -7.594 1.00 72.11 H new ATOM 0 HD21 ASN A 26 0.952 0.620 -7.473 1.00 11.41 H new ATOM 0 HD22 ASN A 26 -0.550 0.764 -6.555 1.00 11.41 H new ATOM 422 N GLY A 27 -5.326 -0.768 -7.832 1.00 50.33 N ATOM 423 CA GLY A 27 -6.631 -1.432 -7.866 1.00 4.32 C ATOM 424 C GLY A 27 -7.093 -1.988 -6.519 1.00 62.22 C ATOM 425 O GLY A 27 -8.002 -2.818 -6.470 1.00 74.31 O ATOM 0 H GLY A 27 -5.332 0.163 -7.414 1.00 50.33 H new ATOM 0 HA2 GLY A 27 -7.376 -0.723 -8.227 1.00 4.32 H new ATOM 0 HA3 GLY A 27 -6.591 -2.248 -8.587 1.00 4.32 H new ATOM 429 N MET A 28 -6.473 -1.549 -5.425 1.00 12.13 N ATOM 430 CA MET A 28 -6.902 -1.963 -4.081 1.00 44.12 C ATOM 431 C MET A 28 -8.216 -1.282 -3.666 1.00 34.50 C ATOM 432 O MET A 28 -8.836 -0.558 -4.447 1.00 43.44 O ATOM 433 CB MET A 28 -5.810 -1.645 -3.056 1.00 52.03 C ATOM 434 CG MET A 28 -4.571 -2.514 -3.189 1.00 54.33 C ATOM 435 SD MET A 28 -4.897 -4.238 -2.769 1.00 3.24 S ATOM 436 CE MET A 28 -3.246 -4.927 -2.844 1.00 11.33 C ATOM 0 H MET A 28 -5.677 -0.911 -5.437 1.00 12.13 H new ATOM 0 HA MET A 28 -7.075 -3.039 -4.110 1.00 44.12 H new ATOM 0 HB2 MET A 28 -5.521 -0.599 -3.160 1.00 52.03 H new ATOM 0 HB3 MET A 28 -6.220 -1.765 -2.053 1.00 52.03 H new ATOM 0 HG2 MET A 28 -4.197 -2.456 -4.211 1.00 54.33 H new ATOM 0 HG3 MET A 28 -3.786 -2.126 -2.540 1.00 54.33 H new ATOM 0 HE1 MET A 28 -3.295 -6.006 -2.695 1.00 11.33 H new ATOM 0 HE2 MET A 28 -2.807 -4.715 -3.819 1.00 11.33 H new ATOM 0 HE3 MET A 28 -2.630 -4.480 -2.064 1.00 11.33 H new ATOM 572 N GLU A 39 -5.587 -7.479 6.261 1.00 44.13 N ATOM 573 CA GLU A 39 -4.718 -8.422 5.554 1.00 52.35 C ATOM 574 C GLU A 39 -3.457 -7.752 4.975 1.00 45.52 C ATOM 575 O GLU A 39 -3.346 -6.524 4.912 1.00 55.11 O ATOM 576 CB GLU A 39 -5.512 -9.105 4.441 1.00 21.33 C ATOM 577 CG GLU A 39 -6.742 -9.853 4.943 1.00 24.12 C ATOM 578 CD GLU A 39 -6.401 -11.034 5.845 1.00 75.23 C ATOM 579 OE1 GLU A 39 -5.815 -12.021 5.352 1.00 51.42 O ATOM 580 OE2 GLU A 39 -6.719 -10.986 7.053 1.00 74.25 O ATOM 0 HA GLU A 39 -4.374 -9.160 6.279 1.00 52.35 H new ATOM 0 HB2 GLU A 39 -5.824 -8.354 3.715 1.00 21.33 H new ATOM 0 HB3 GLU A 39 -4.860 -9.804 3.917 1.00 21.33 H new ATOM 0 HG2 GLU A 39 -7.383 -9.160 5.489 1.00 24.12 H new ATOM 0 HG3 GLU A 39 -7.315 -10.211 4.088 1.00 24.12 H new ATOM 587 N SER A 40 -2.508 -8.585 4.550 1.00 31.31 N ATOM 588 CA SER A 40 -1.225 -8.111 4.007 1.00 15.20 C ATOM 589 C SER A 40 -1.355 -7.640 2.553 1.00 70.40 C ATOM 590 O SER A 40 -2.335 -7.949 1.869 1.00 31.43 O ATOM 591 CB SER A 40 -0.176 -9.229 4.073 1.00 63.11 C ATOM 592 OG SER A 40 -0.518 -10.305 3.209 1.00 10.14 O ATOM 0 H SER A 40 -2.600 -9.601 4.570 1.00 31.31 H new ATOM 0 HA SER A 40 -0.914 -7.264 4.618 1.00 15.20 H new ATOM 0 HB2 SER A 40 0.801 -8.832 3.795 1.00 63.11 H new ATOM 0 HB3 SER A 40 -0.093 -9.593 5.097 1.00 63.11 H new ATOM 0 HG SER A 40 0.167 -11.003 3.269 1.00 10.14 H new ATOM 598 N ILE A 41 -0.350 -6.899 2.082 1.00 22.42 N ATOM 599 CA ILE A 41 -0.300 -6.441 0.694 1.00 1.34 C ATOM 600 C ILE A 41 -0.390 -7.616 -0.293 1.00 64.33 C ATOM 601 O ILE A 41 -1.186 -7.589 -1.232 1.00 72.44 O ATOM 602 CB ILE A 41 1.009 -5.657 0.446 1.00 61.03 C ATOM 603 CG1 ILE A 41 1.084 -4.450 1.399 1.00 72.11 C ATOM 604 CG2 ILE A 41 1.119 -5.210 -1.014 1.00 15.23 C ATOM 605 CD1 ILE A 41 2.495 -4.032 1.727 1.00 44.21 C ATOM 0 H ILE A 41 0.445 -6.602 2.647 1.00 22.42 H new ATOM 0 HA ILE A 41 -1.159 -5.791 0.527 1.00 1.34 H new ATOM 0 HB ILE A 41 1.852 -6.317 0.648 1.00 61.03 H new ATOM 0 HG12 ILE A 41 0.559 -3.608 0.948 1.00 72.11 H new ATOM 0 HG13 ILE A 41 0.561 -4.694 2.324 1.00 72.11 H new ATOM 0 HG21 ILE A 41 2.050 -4.661 -1.157 1.00 15.23 H new ATOM 0 HG22 ILE A 41 1.110 -6.085 -1.664 1.00 15.23 H new ATOM 0 HG23 ILE A 41 0.276 -4.565 -1.262 1.00 15.23 H new ATOM 0 HD11 ILE A 41 2.473 -3.177 2.402 1.00 44.21 H new ATOM 0 HD12 ILE A 41 3.018 -4.860 2.206 1.00 44.21 H new ATOM 0 HD13 ILE A 41 3.016 -3.757 0.810 1.00 44.21 H new ATOM 617 N GLU A 42 0.421 -8.650 -0.068 1.00 60.04 N ATOM 618 CA GLU A 42 0.429 -9.831 -0.940 1.00 30.25 C ATOM 619 C GLU A 42 -0.923 -10.561 -0.932 1.00 22.24 C ATOM 620 O GLU A 42 -1.360 -11.072 -1.967 1.00 45.14 O ATOM 621 CB GLU A 42 1.547 -10.803 -0.536 1.00 44.32 C ATOM 622 CG GLU A 42 1.472 -11.272 0.913 1.00 22.13 C ATOM 623 CD GLU A 42 2.390 -12.450 1.201 1.00 31.31 C ATOM 624 OE1 GLU A 42 3.617 -12.253 1.272 1.00 41.21 O ATOM 625 OE2 GLU A 42 1.883 -13.583 1.344 1.00 42.40 O ATOM 0 H GLU A 42 1.081 -8.696 0.708 1.00 60.04 H new ATOM 0 HA GLU A 42 0.614 -9.474 -1.953 1.00 30.25 H new ATOM 0 HB2 GLU A 42 1.511 -11.674 -1.191 1.00 44.32 H new ATOM 0 HB3 GLU A 42 2.510 -10.320 -0.701 1.00 44.32 H new ATOM 0 HG2 GLU A 42 1.734 -10.444 1.572 1.00 22.13 H new ATOM 0 HG3 GLU A 42 0.445 -11.552 1.146 1.00 22.13 H new ATOM 632 N ASP A 43 -1.583 -10.618 0.228 1.00 52.20 N ATOM 633 CA ASP A 43 -2.893 -11.268 0.322 1.00 74.14 C ATOM 634 C ASP A 43 -3.942 -10.495 -0.490 1.00 43.35 C ATOM 635 O ASP A 43 -4.543 -11.037 -1.420 1.00 44.44 O ATOM 636 CB ASP A 43 -3.340 -11.391 1.781 1.00 33.51 C ATOM 637 CG ASP A 43 -4.584 -12.253 1.918 1.00 24.04 C ATOM 638 OD1 ASP A 43 -4.451 -13.500 1.892 1.00 64.01 O ATOM 639 OD2 ASP A 43 -5.694 -11.700 2.034 1.00 73.22 O ATOM 0 H ASP A 43 -1.238 -10.227 1.105 1.00 52.20 H new ATOM 0 HA ASP A 43 -2.799 -12.271 -0.095 1.00 74.14 H new ATOM 0 HB2 ASP A 43 -2.533 -11.821 2.374 1.00 33.51 H new ATOM 0 HB3 ASP A 43 -3.539 -10.399 2.185 1.00 33.51 H new ATOM 644 N ALA A 44 -4.141 -9.221 -0.146 1.00 62.14 N ATOM 645 CA ALA A 44 -5.100 -8.363 -0.856 1.00 32.12 C ATOM 646 C ALA A 44 -4.819 -8.328 -2.368 1.00 3.45 C ATOM 647 O ALA A 44 -5.747 -8.302 -3.183 1.00 31.24 O ATOM 648 CB ALA A 44 -5.080 -6.956 -0.274 1.00 74.15 C ATOM 0 H ALA A 44 -3.652 -8.758 0.620 1.00 62.14 H new ATOM 0 HA ALA A 44 -6.094 -8.788 -0.718 1.00 32.12 H new ATOM 0 HB1 ALA A 44 -5.795 -6.331 -0.809 1.00 74.15 H new ATOM 0 HB2 ALA A 44 -5.350 -6.995 0.781 1.00 74.15 H new ATOM 0 HB3 ALA A 44 -4.080 -6.534 -0.377 1.00 74.15 H new ATOM 654 N CYS A 45 -3.536 -8.333 -2.738 1.00 21.24 N ATOM 655 CA CYS A 45 -3.142 -8.434 -4.147 1.00 34.52 C ATOM 656 C CYS A 45 -3.725 -9.698 -4.784 1.00 2.42 C ATOM 657 O CYS A 45 -4.348 -9.640 -5.838 1.00 62.33 O ATOM 658 CB CYS A 45 -1.613 -8.432 -4.302 1.00 72.40 C ATOM 659 SG CYS A 45 -0.829 -6.843 -3.937 1.00 20.11 S ATOM 0 H CYS A 45 -2.755 -8.269 -2.085 1.00 21.24 H new ATOM 0 HA CYS A 45 -3.542 -7.560 -4.661 1.00 34.52 H new ATOM 0 HB2 CYS A 45 -1.192 -9.191 -3.643 1.00 72.40 H new ATOM 0 HB3 CYS A 45 -1.363 -8.721 -5.323 1.00 72.40 H new ATOM 0 HG CYS A 45 -0.768 -6.675 -2.649 1.00 20.11 H new ATOM 665 N ALA A 46 -3.547 -10.836 -4.128 1.00 75.40 N ATOM 666 CA ALA A 46 -4.075 -12.107 -4.637 1.00 23.54 C ATOM 667 C ALA A 46 -5.615 -12.123 -4.651 1.00 31.44 C ATOM 668 O ALA A 46 -6.229 -12.810 -5.469 1.00 2.14 O ATOM 669 CB ALA A 46 -3.531 -13.266 -3.809 1.00 14.11 C ATOM 0 H ALA A 46 -3.043 -10.912 -3.244 1.00 75.40 H new ATOM 0 HA ALA A 46 -3.743 -12.219 -5.669 1.00 23.54 H new ATOM 0 HB1 ALA A 46 -3.928 -14.206 -4.193 1.00 14.11 H new ATOM 0 HB2 ALA A 46 -2.443 -13.279 -3.872 1.00 14.11 H new ATOM 0 HB3 ALA A 46 -3.833 -13.143 -2.769 1.00 14.11 H new ATOM 675 N VAL A 47 -6.233 -11.361 -3.746 1.00 4.32 N ATOM 676 CA VAL A 47 -7.700 -11.248 -3.689 1.00 2.54 C ATOM 677 C VAL A 47 -8.267 -10.544 -4.936 1.00 62.51 C ATOM 678 O VAL A 47 -9.144 -11.077 -5.622 1.00 71.41 O ATOM 679 CB VAL A 47 -8.156 -10.478 -2.421 1.00 71.30 C ATOM 680 CG1 VAL A 47 -9.679 -10.345 -2.373 1.00 53.40 C ATOM 681 CG2 VAL A 47 -7.638 -11.161 -1.158 1.00 5.12 C ATOM 0 H VAL A 47 -5.744 -10.811 -3.040 1.00 4.32 H new ATOM 0 HA VAL A 47 -8.088 -12.266 -3.653 1.00 2.54 H new ATOM 0 HB VAL A 47 -7.732 -9.475 -2.470 1.00 71.30 H new ATOM 0 HG11 VAL A 47 -9.969 -9.801 -1.474 1.00 53.40 H new ATOM 0 HG12 VAL A 47 -10.025 -9.802 -3.253 1.00 53.40 H new ATOM 0 HG13 VAL A 47 -10.131 -11.337 -2.358 1.00 53.40 H new ATOM 0 HG21 VAL A 47 -7.969 -10.604 -0.281 1.00 5.12 H new ATOM 0 HG22 VAL A 47 -8.026 -12.179 -1.110 1.00 5.12 H new ATOM 0 HG23 VAL A 47 -6.549 -11.188 -1.180 1.00 5.12 H new ATOM 691 N HIS A 48 -7.764 -9.345 -5.224 1.00 21.10 N ATOM 692 CA HIS A 48 -8.247 -8.553 -6.364 1.00 54.44 C ATOM 693 C HIS A 48 -7.508 -8.917 -7.666 1.00 51.03 C ATOM 694 O HIS A 48 -7.992 -8.644 -8.765 1.00 12.41 O ATOM 695 CB HIS A 48 -8.087 -7.056 -6.057 1.00 1.14 C ATOM 696 CG HIS A 48 -8.749 -6.154 -7.057 1.00 60.20 C ATOM 697 ND1 HIS A 48 -10.107 -5.925 -7.074 1.00 21.51 N ATOM 698 CD2 HIS A 48 -8.237 -5.416 -8.074 1.00 34.31 C ATOM 699 CE1 HIS A 48 -10.402 -5.090 -8.050 1.00 64.12 C ATOM 700 NE2 HIS A 48 -9.288 -4.768 -8.671 1.00 33.24 N ATOM 0 H HIS A 48 -7.022 -8.897 -4.686 1.00 21.10 H new ATOM 0 HA HIS A 48 -9.302 -8.783 -6.515 1.00 54.44 H new ATOM 0 HB2 HIS A 48 -8.500 -6.852 -5.069 1.00 1.14 H new ATOM 0 HB3 HIS A 48 -7.025 -6.816 -6.014 1.00 1.14 H new ATOM 0 HD2 HIS A 48 -7.197 -5.351 -8.360 1.00 34.31 H new ATOM 0 HE1 HIS A 48 -11.390 -4.731 -8.298 1.00 64.12 H new ATOM 0 HE2 HIS A 48 -9.217 -4.137 -9.469 1.00 33.24 H new ATOM 709 N GLY A 49 -6.346 -9.551 -7.536 1.00 45.12 N ATOM 710 CA GLY A 49 -5.529 -9.910 -8.697 1.00 12.41 C ATOM 711 C GLY A 49 -4.559 -8.801 -9.114 1.00 3.55 C ATOM 712 O GLY A 49 -4.536 -8.375 -10.270 1.00 72.02 O ATOM 0 H GLY A 49 -5.947 -9.828 -6.639 1.00 45.12 H new ATOM 0 HA2 GLY A 49 -4.963 -10.813 -8.470 1.00 12.41 H new ATOM 0 HA3 GLY A 49 -6.184 -10.146 -9.536 1.00 12.41 H new ATOM 716 N ILE A 50 -3.764 -8.329 -8.160 1.00 53.23 N ATOM 717 CA ILE A 50 -2.786 -7.263 -8.391 1.00 51.15 C ATOM 718 C ILE A 50 -1.349 -7.802 -8.305 1.00 3.52 C ATOM 719 O ILE A 50 -1.088 -8.791 -7.616 1.00 53.32 O ATOM 720 CB ILE A 50 -2.967 -6.140 -7.338 1.00 54.02 C ATOM 721 CG1 ILE A 50 -4.452 -5.751 -7.235 1.00 43.22 C ATOM 722 CG2 ILE A 50 -2.108 -4.922 -7.679 1.00 34.21 C ATOM 723 CD1 ILE A 50 -4.736 -4.628 -6.257 1.00 60.03 C ATOM 0 H ILE A 50 -3.777 -8.674 -7.200 1.00 53.23 H new ATOM 0 HA ILE A 50 -2.955 -6.866 -9.392 1.00 51.15 H new ATOM 0 HB ILE A 50 -2.635 -6.516 -6.370 1.00 54.02 H new ATOM 0 HG12 ILE A 50 -4.808 -5.456 -8.222 1.00 43.22 H new ATOM 0 HG13 ILE A 50 -5.026 -6.629 -6.939 1.00 43.22 H new ATOM 0 HG21 ILE A 50 -2.255 -4.150 -6.924 1.00 34.21 H new ATOM 0 HG22 ILE A 50 -1.058 -5.212 -7.702 1.00 34.21 H new ATOM 0 HG23 ILE A 50 -2.398 -4.534 -8.655 1.00 34.21 H new ATOM 0 HD11 ILE A 50 -5.805 -4.417 -6.246 1.00 60.03 H new ATOM 0 HD12 ILE A 50 -4.414 -4.925 -5.259 1.00 60.03 H new ATOM 0 HD13 ILE A 50 -4.193 -3.734 -6.562 1.00 60.03 H new ATOM 735 N ASP A 51 -0.414 -7.155 -8.996 1.00 70.14 N ATOM 736 CA ASP A 51 0.990 -7.547 -8.913 1.00 62.52 C ATOM 737 C ASP A 51 1.657 -6.882 -7.698 1.00 72.02 C ATOM 738 O ASP A 51 1.970 -5.687 -7.720 1.00 21.40 O ATOM 739 CB ASP A 51 1.734 -7.179 -10.199 1.00 21.21 C ATOM 740 CG ASP A 51 3.092 -7.852 -10.273 1.00 63.34 C ATOM 741 OD1 ASP A 51 3.165 -8.991 -10.775 1.00 1.42 O ATOM 742 OD2 ASP A 51 4.085 -7.264 -9.804 1.00 13.01 O ATOM 0 H ASP A 51 -0.600 -6.365 -9.614 1.00 70.14 H new ATOM 0 HA ASP A 51 1.038 -8.629 -8.790 1.00 62.52 H new ATOM 0 HB2 ASP A 51 1.136 -7.471 -11.062 1.00 21.21 H new ATOM 0 HB3 ASP A 51 1.860 -6.098 -10.250 1.00 21.21 H new ATOM 747 N ALA A 52 1.852 -7.660 -6.635 1.00 51.25 N ATOM 748 CA ALA A 52 2.432 -7.145 -5.394 1.00 43.41 C ATOM 749 C ALA A 52 3.859 -6.622 -5.590 1.00 52.34 C ATOM 750 O ALA A 52 4.257 -5.657 -4.945 1.00 74.14 O ATOM 751 CB ALA A 52 2.402 -8.220 -4.311 1.00 72.34 C ATOM 0 H ALA A 52 1.616 -8.652 -6.607 1.00 51.25 H new ATOM 0 HA ALA A 52 1.822 -6.299 -5.079 1.00 43.41 H new ATOM 0 HB1 ALA A 52 2.836 -7.824 -3.393 1.00 72.34 H new ATOM 0 HB2 ALA A 52 1.371 -8.520 -4.125 1.00 72.34 H new ATOM 0 HB3 ALA A 52 2.977 -9.085 -4.641 1.00 72.34 H new ATOM 757 N ASP A 53 4.623 -7.252 -6.479 1.00 70.22 N ATOM 758 CA ASP A 53 5.994 -6.813 -6.752 1.00 13.01 C ATOM 759 C ASP A 53 6.024 -5.352 -7.239 1.00 40.15 C ATOM 760 O ASP A 53 6.837 -4.551 -6.777 1.00 73.40 O ATOM 761 CB ASP A 53 6.647 -7.745 -7.778 1.00 40.31 C ATOM 762 CG ASP A 53 8.061 -7.321 -8.132 1.00 32.35 C ATOM 763 OD1 ASP A 53 8.962 -7.464 -7.279 1.00 2.24 O ATOM 764 OD2 ASP A 53 8.277 -6.842 -9.268 1.00 24.33 O ATOM 0 H ASP A 53 4.321 -8.062 -7.020 1.00 70.22 H new ATOM 0 HA ASP A 53 6.563 -6.860 -5.824 1.00 13.01 H new ATOM 0 HB2 ASP A 53 6.664 -8.761 -7.382 1.00 40.31 H new ATOM 0 HB3 ASP A 53 6.040 -7.766 -8.683 1.00 40.31 H new ATOM 769 N LYS A 54 5.124 -5.006 -8.160 1.00 21.52 N ATOM 770 CA LYS A 54 5.019 -3.626 -8.654 1.00 42.22 C ATOM 771 C LYS A 54 4.543 -2.678 -7.544 1.00 32.30 C ATOM 772 O LYS A 54 5.144 -1.627 -7.306 1.00 71.34 O ATOM 773 CB LYS A 54 4.053 -3.547 -9.847 1.00 21.33 C ATOM 774 CG LYS A 54 4.481 -4.383 -11.047 1.00 14.22 C ATOM 775 CD LYS A 54 3.445 -4.335 -12.170 1.00 13.33 C ATOM 776 CE LYS A 54 3.741 -5.361 -13.259 1.00 31.21 C ATOM 777 NZ LYS A 54 2.757 -5.289 -14.374 1.00 50.23 N ATOM 0 H LYS A 54 4.459 -5.656 -8.579 1.00 21.52 H new ATOM 0 HA LYS A 54 6.013 -3.316 -8.978 1.00 42.22 H new ATOM 0 HB2 LYS A 54 3.065 -3.874 -9.523 1.00 21.33 H new ATOM 0 HB3 LYS A 54 3.959 -2.506 -10.157 1.00 21.33 H new ATOM 0 HG2 LYS A 54 5.439 -4.020 -11.420 1.00 14.22 H new ATOM 0 HG3 LYS A 54 4.631 -5.417 -10.735 1.00 14.22 H new ATOM 0 HD2 LYS A 54 2.453 -4.519 -11.757 1.00 13.33 H new ATOM 0 HD3 LYS A 54 3.428 -3.336 -12.607 1.00 13.33 H new ATOM 0 HE2 LYS A 54 4.745 -5.196 -13.650 1.00 31.21 H new ATOM 0 HE3 LYS A 54 3.728 -6.362 -12.828 1.00 31.21 H new ATOM 0 HZ1 LYS A 54 2.994 -6.002 -15.093 1.00 50.23 H new ATOM 0 HZ2 LYS A 54 1.802 -5.472 -14.006 1.00 50.23 H new ATOM 0 HZ3 LYS A 54 2.787 -4.342 -14.803 1.00 50.23 H new ATOM 791 N LEU A 55 3.468 -3.070 -6.858 1.00 11.44 N ATOM 792 CA LEU A 55 2.867 -2.246 -5.802 1.00 53.12 C ATOM 793 C LEU A 55 3.873 -1.926 -4.685 1.00 33.13 C ATOM 794 O LEU A 55 4.075 -0.762 -4.336 1.00 54.21 O ATOM 795 CB LEU A 55 1.633 -2.960 -5.222 1.00 73.13 C ATOM 796 CG LEU A 55 0.985 -2.293 -3.993 1.00 4.23 C ATOM 797 CD1 LEU A 55 0.616 -0.839 -4.281 1.00 23.32 C ATOM 798 CD2 LEU A 55 -0.242 -3.082 -3.548 1.00 11.30 C ATOM 0 H LEU A 55 2.992 -3.958 -7.015 1.00 11.44 H new ATOM 0 HA LEU A 55 2.563 -1.299 -6.248 1.00 53.12 H new ATOM 0 HB2 LEU A 55 0.881 -3.039 -6.007 1.00 73.13 H new ATOM 0 HB3 LEU A 55 1.919 -3.976 -4.951 1.00 73.13 H new ATOM 0 HG LEU A 55 1.715 -2.295 -3.183 1.00 4.23 H new ATOM 0 HD11 LEU A 55 0.161 -0.397 -3.395 1.00 23.32 H new ATOM 0 HD12 LEU A 55 1.514 -0.281 -4.545 1.00 23.32 H new ATOM 0 HD13 LEU A 55 -0.091 -0.800 -5.109 1.00 23.32 H new ATOM 0 HD21 LEU A 55 -0.689 -2.599 -2.679 1.00 11.30 H new ATOM 0 HD22 LEU A 55 -0.969 -3.113 -4.360 1.00 11.30 H new ATOM 0 HD23 LEU A 55 0.054 -4.098 -3.286 1.00 11.30 H new ATOM 810 N VAL A 56 4.504 -2.961 -4.137 1.00 34.22 N ATOM 811 CA VAL A 56 5.468 -2.790 -3.046 1.00 20.24 C ATOM 812 C VAL A 56 6.630 -1.869 -3.455 1.00 62.20 C ATOM 813 O VAL A 56 7.077 -1.033 -2.669 1.00 65.15 O ATOM 814 CB VAL A 56 6.013 -4.157 -2.559 1.00 65.12 C ATOM 815 CG1 VAL A 56 7.078 -3.979 -1.477 1.00 41.21 C ATOM 816 CG2 VAL A 56 4.868 -5.026 -2.044 1.00 14.44 C ATOM 0 H VAL A 56 4.367 -3.929 -4.429 1.00 34.22 H new ATOM 0 HA VAL A 56 4.935 -2.316 -2.221 1.00 20.24 H new ATOM 0 HB VAL A 56 6.483 -4.655 -3.407 1.00 65.12 H new ATOM 0 HG11 VAL A 56 7.439 -4.957 -1.158 1.00 41.21 H new ATOM 0 HG12 VAL A 56 7.909 -3.398 -1.877 1.00 41.21 H new ATOM 0 HG13 VAL A 56 6.646 -3.455 -0.624 1.00 41.21 H new ATOM 0 HG21 VAL A 56 5.262 -5.984 -1.705 1.00 14.44 H new ATOM 0 HG22 VAL A 56 4.374 -4.522 -1.213 1.00 14.44 H new ATOM 0 HG23 VAL A 56 4.149 -5.193 -2.846 1.00 14.44 H new ATOM 826 N LYS A 57 7.106 -2.012 -4.691 1.00 52.23 N ATOM 827 CA LYS A 57 8.141 -1.116 -5.223 1.00 74.13 C ATOM 828 C LYS A 57 7.661 0.346 -5.244 1.00 42.32 C ATOM 829 O LYS A 57 8.391 1.250 -4.837 1.00 73.03 O ATOM 830 CB LYS A 57 8.568 -1.562 -6.630 1.00 44.21 C ATOM 831 CG LYS A 57 9.386 -2.850 -6.633 1.00 20.44 C ATOM 832 CD LYS A 57 9.615 -3.386 -8.046 1.00 3.13 C ATOM 833 CE LYS A 57 10.473 -4.644 -8.028 1.00 13.24 C ATOM 834 NZ LYS A 57 10.532 -5.308 -9.357 1.00 54.31 N ATOM 0 H LYS A 57 6.796 -2.734 -5.342 1.00 52.23 H new ATOM 0 HA LYS A 57 9.004 -1.174 -4.560 1.00 74.13 H new ATOM 0 HB2 LYS A 57 7.679 -1.703 -7.244 1.00 44.21 H new ATOM 0 HB3 LYS A 57 9.153 -0.767 -7.094 1.00 44.21 H new ATOM 0 HG2 LYS A 57 10.349 -2.668 -6.155 1.00 20.44 H new ATOM 0 HG3 LYS A 57 8.873 -3.606 -6.038 1.00 20.44 H new ATOM 0 HD2 LYS A 57 8.655 -3.604 -8.514 1.00 3.13 H new ATOM 0 HD3 LYS A 57 10.099 -2.621 -8.653 1.00 3.13 H new ATOM 0 HE2 LYS A 57 11.483 -4.387 -7.708 1.00 13.24 H new ATOM 0 HE3 LYS A 57 10.073 -5.343 -7.293 1.00 13.24 H new ATOM 0 HZ1 LYS A 57 11.498 -5.652 -9.530 1.00 54.31 H new ATOM 0 HZ2 LYS A 57 9.870 -6.110 -9.374 1.00 54.31 H new ATOM 0 HZ3 LYS A 57 10.269 -4.627 -10.097 1.00 54.31 H new ATOM 848 N GLU A 58 6.428 0.573 -5.705 1.00 53.13 N ATOM 849 CA GLU A 58 5.849 1.925 -5.718 1.00 14.12 C ATOM 850 C GLU A 58 5.704 2.486 -4.290 1.00 34.44 C ATOM 851 O GLU A 58 5.871 3.688 -4.062 1.00 32.51 O ATOM 852 CB GLU A 58 4.485 1.932 -6.434 1.00 15.14 C ATOM 853 CG GLU A 58 4.557 1.550 -7.913 1.00 4.54 C ATOM 854 CD GLU A 58 3.368 2.058 -8.719 1.00 60.42 C ATOM 855 OE1 GLU A 58 2.279 1.454 -8.638 1.00 44.33 O ATOM 856 OE2 GLU A 58 3.522 3.065 -9.444 1.00 12.00 O ATOM 0 H GLU A 58 5.813 -0.153 -6.072 1.00 53.13 H new ATOM 0 HA GLU A 58 6.534 2.569 -6.269 1.00 14.12 H new ATOM 0 HB2 GLU A 58 3.814 1.241 -5.923 1.00 15.14 H new ATOM 0 HB3 GLU A 58 4.046 2.926 -6.347 1.00 15.14 H new ATOM 0 HG2 GLU A 58 5.476 1.950 -8.341 1.00 4.54 H new ATOM 0 HG3 GLU A 58 4.610 0.465 -8.000 1.00 4.54 H new ATOM 863 N LEU A 59 5.385 1.610 -3.337 1.00 51.41 N ATOM 864 CA LEU A 59 5.309 1.990 -1.920 1.00 4.40 C ATOM 865 C LEU A 59 6.681 2.429 -1.376 1.00 12.24 C ATOM 866 O LEU A 59 6.807 3.501 -0.778 1.00 12.40 O ATOM 867 CB LEU A 59 4.764 0.819 -1.093 1.00 42.14 C ATOM 868 CG LEU A 59 3.331 0.385 -1.442 1.00 21.34 C ATOM 869 CD1 LEU A 59 2.969 -0.900 -0.708 1.00 73.44 C ATOM 870 CD2 LEU A 59 2.331 1.494 -1.116 1.00 43.44 C ATOM 0 H LEU A 59 5.174 0.629 -3.518 1.00 51.41 H new ATOM 0 HA LEU A 59 4.632 2.840 -1.837 1.00 4.40 H new ATOM 0 HB2 LEU A 59 5.427 -0.036 -1.222 1.00 42.14 H new ATOM 0 HB3 LEU A 59 4.797 1.093 -0.038 1.00 42.14 H new ATOM 0 HG LEU A 59 3.284 0.194 -2.514 1.00 21.34 H new ATOM 0 HD11 LEU A 59 1.951 -1.193 -0.967 1.00 73.44 H new ATOM 0 HD12 LEU A 59 3.659 -1.692 -0.999 1.00 73.44 H new ATOM 0 HD13 LEU A 59 3.037 -0.736 0.367 1.00 73.44 H new ATOM 0 HD21 LEU A 59 1.324 1.163 -1.372 1.00 43.44 H new ATOM 0 HD22 LEU A 59 2.378 1.725 -0.052 1.00 43.44 H new ATOM 0 HD23 LEU A 59 2.577 2.386 -1.692 1.00 43.44 H new ATOM 882 N ASN A 60 7.706 1.596 -1.586 1.00 41.54 N ATOM 883 CA ASN A 60 9.074 1.930 -1.156 1.00 34.40 C ATOM 884 C ASN A 60 9.561 3.238 -1.791 1.00 24.22 C ATOM 885 O ASN A 60 10.060 4.128 -1.096 1.00 65.55 O ATOM 886 CB ASN A 60 10.052 0.798 -1.489 1.00 72.54 C ATOM 887 CG ASN A 60 9.908 -0.379 -0.548 1.00 32.14 C ATOM 888 OD1 ASN A 60 10.472 -0.387 0.535 1.00 1.30 O ATOM 889 ND2 ASN A 60 9.173 -1.390 -0.956 1.00 22.23 N ATOM 0 H ASN A 60 7.619 0.691 -2.048 1.00 41.54 H new ATOM 0 HA ASN A 60 9.043 2.062 -0.074 1.00 34.40 H new ATOM 0 HB2 ASN A 60 9.884 0.465 -2.513 1.00 72.54 H new ATOM 0 HB3 ASN A 60 11.073 1.177 -1.441 1.00 72.54 H new ATOM 0 HD21 ASN A 60 9.061 -2.212 -0.362 1.00 22.23 H new ATOM 0 HD22 ASN A 60 8.715 -1.353 -1.866 1.00 22.23 H new ATOM 896 N GLU A 61 9.416 3.350 -3.114 1.00 10.12 N ATOM 897 CA GLU A 61 9.767 4.584 -3.820 1.00 3.04 C ATOM 898 C GLU A 61 9.123 5.801 -3.147 1.00 63.43 C ATOM 899 O GLU A 61 9.791 6.799 -2.894 1.00 33.35 O ATOM 900 CB GLU A 61 9.343 4.519 -5.298 1.00 2.32 C ATOM 901 CG GLU A 61 10.200 3.585 -6.150 1.00 60.35 C ATOM 902 CD GLU A 61 9.804 3.595 -7.621 1.00 61.04 C ATOM 903 OE1 GLU A 61 9.681 4.696 -8.202 1.00 72.51 O ATOM 904 OE2 GLU A 61 9.634 2.506 -8.210 1.00 11.25 O ATOM 0 H GLU A 61 9.060 2.606 -3.714 1.00 10.12 H new ATOM 0 HA GLU A 61 10.851 4.689 -3.775 1.00 3.04 H new ATOM 0 HB2 GLU A 61 8.304 4.194 -5.353 1.00 2.32 H new ATOM 0 HB3 GLU A 61 9.386 5.522 -5.722 1.00 2.32 H new ATOM 0 HG2 GLU A 61 11.247 3.876 -6.059 1.00 60.35 H new ATOM 0 HG3 GLU A 61 10.116 2.569 -5.763 1.00 60.35 H new ATOM 911 N TYR A 62 7.831 5.696 -2.835 1.00 34.42 N ATOM 912 CA TYR A 62 7.093 6.786 -2.186 1.00 4.21 C ATOM 913 C TYR A 62 7.772 7.260 -0.890 1.00 4.14 C ATOM 914 O TYR A 62 8.010 8.457 -0.707 1.00 73.14 O ATOM 915 CB TYR A 62 5.659 6.347 -1.880 1.00 5.25 C ATOM 916 CG TYR A 62 4.844 7.414 -1.176 1.00 62.02 C ATOM 917 CD1 TYR A 62 4.427 8.551 -1.857 1.00 24.44 C ATOM 918 CD2 TYR A 62 4.504 7.293 0.169 1.00 12.35 C ATOM 919 CE1 TYR A 62 3.694 9.532 -1.225 1.00 3.10 C ATOM 920 CE2 TYR A 62 3.770 8.272 0.809 1.00 34.30 C ATOM 921 CZ TYR A 62 3.368 9.390 0.106 1.00 44.22 C ATOM 922 OH TYR A 62 2.638 10.373 0.735 1.00 14.52 O ATOM 0 H TYR A 62 7.270 4.865 -3.021 1.00 34.42 H new ATOM 0 HA TYR A 62 7.084 7.624 -2.883 1.00 4.21 H new ATOM 0 HB2 TYR A 62 5.163 6.076 -2.812 1.00 5.25 H new ATOM 0 HB3 TYR A 62 5.685 5.451 -1.260 1.00 5.25 H new ATOM 0 HD1 TYR A 62 4.682 8.668 -2.900 1.00 24.44 H new ATOM 0 HD2 TYR A 62 4.819 6.420 0.720 1.00 12.35 H new ATOM 0 HE1 TYR A 62 3.377 10.408 -1.771 1.00 3.10 H new ATOM 0 HE2 TYR A 62 3.512 8.164 1.852 1.00 34.30 H new ATOM 0 HH TYR A 62 2.518 10.138 1.679 1.00 14.52 H new ATOM 932 N PHE A 63 8.077 6.323 0.008 1.00 61.44 N ATOM 933 CA PHE A 63 8.739 6.664 1.273 1.00 3.22 C ATOM 934 C PHE A 63 10.076 7.386 1.031 1.00 30.02 C ATOM 935 O PHE A 63 10.416 8.333 1.746 1.00 53.33 O ATOM 936 CB PHE A 63 8.947 5.410 2.140 1.00 45.33 C ATOM 937 CG PHE A 63 7.683 4.932 2.821 1.00 20.04 C ATOM 938 CD1 PHE A 63 7.192 5.599 3.937 1.00 2.40 C ATOM 939 CD2 PHE A 63 6.989 3.823 2.355 1.00 60.34 C ATOM 940 CE1 PHE A 63 6.039 5.174 4.570 1.00 13.44 C ATOM 941 CE2 PHE A 63 5.834 3.393 2.987 1.00 2.44 C ATOM 942 CZ PHE A 63 5.361 4.070 4.096 1.00 35.45 C ATOM 0 H PHE A 63 7.879 5.330 -0.113 1.00 61.44 H new ATOM 0 HA PHE A 63 8.084 7.348 1.812 1.00 3.22 H new ATOM 0 HB2 PHE A 63 9.340 4.607 1.516 1.00 45.33 H new ATOM 0 HB3 PHE A 63 9.701 5.623 2.898 1.00 45.33 H new ATOM 0 HD1 PHE A 63 7.719 6.462 4.315 1.00 2.40 H new ATOM 0 HD2 PHE A 63 7.354 3.290 1.490 1.00 60.34 H new ATOM 0 HE1 PHE A 63 5.669 5.706 5.434 1.00 13.44 H new ATOM 0 HE2 PHE A 63 5.303 2.530 2.614 1.00 2.44 H new ATOM 0 HZ PHE A 63 4.461 3.735 4.591 1.00 35.45 H new