USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 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 Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -93:sc= 1.22 USER MOD Single : A 12 ASN : amide:sc= -3.42! C(o=-3.4!,f=-2.7!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.3) USER MOD Single : A 28 SER OG : rot 180:sc= 0.417 USER MOD Single : A 31 LYS NZ :NH3+ 169:sc=-0.00438 (180deg=-0.141) USER MOD Single : A 38 ASN : amide:sc= -0.0886 X(o=-0.089,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= -0.0241 (180deg=-0.238) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00378 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 8.218 -3.263 3.502 1.00 24.20 N ATOM 21 CA ILE A 2 7.080 -3.622 2.656 1.00 33.30 C ATOM 22 C ILE A 2 7.554 -4.163 1.300 1.00 61.21 C ATOM 23 O ILE A 2 8.605 -3.774 0.788 1.00 73.11 O ATOM 24 CB ILE A 2 6.114 -2.423 2.455 1.00 10.41 C ATOM 25 CG1 ILE A 2 5.643 -1.894 3.817 1.00 31.40 C ATOM 26 CG2 ILE A 2 4.916 -2.822 1.600 1.00 44.11 C ATOM 27 CD1 ILE A 2 4.756 -0.670 3.728 1.00 21.43 C ATOM 0 HA ILE A 2 6.530 -4.410 3.171 1.00 33.30 H new ATOM 0 HB ILE A 2 6.653 -1.633 1.932 1.00 10.41 H new ATOM 0 HG12 ILE A 2 5.102 -2.685 4.335 1.00 31.40 H new ATOM 0 HG13 ILE A 2 6.516 -1.654 4.424 1.00 31.40 H new ATOM 0 HG21 ILE A 2 4.256 -1.964 1.475 1.00 44.11 H new ATOM 0 HG22 ILE A 2 5.262 -3.158 0.623 1.00 44.11 H new ATOM 0 HG23 ILE A 2 4.372 -3.630 2.090 1.00 44.11 H new ATOM 0 HD11 ILE A 2 4.465 -0.358 4.731 1.00 21.43 H new ATOM 0 HD12 ILE A 2 5.300 0.139 3.239 1.00 21.43 H new ATOM 0 HD13 ILE A 2 3.864 -0.909 3.149 1.00 21.43 H new ATOM 39 N PHE A 3 6.791 -5.090 0.745 1.00 20.34 N ATOM 40 CA PHE A 3 7.130 -5.686 -0.539 1.00 24.10 C ATOM 41 C PHE A 3 6.405 -4.969 -1.677 1.00 62.35 C ATOM 42 O PHE A 3 5.242 -4.587 -1.540 1.00 3.33 O ATOM 43 CB PHE A 3 6.781 -7.178 -0.547 1.00 75.13 C ATOM 44 CG PHE A 3 7.467 -7.961 0.535 1.00 43.11 C ATOM 45 CD1 PHE A 3 8.849 -8.059 0.570 1.00 12.23 C ATOM 46 CD2 PHE A 3 6.727 -8.600 1.514 1.00 70.43 C ATOM 47 CE1 PHE A 3 9.479 -8.782 1.564 1.00 51.52 C ATOM 48 CE2 PHE A 3 7.350 -9.324 2.509 1.00 35.35 C ATOM 49 CZ PHE A 3 8.729 -9.414 2.536 1.00 43.10 C ATOM 0 H PHE A 3 5.932 -5.447 1.163 1.00 20.34 H new ATOM 0 HA PHE A 3 8.204 -5.577 -0.691 1.00 24.10 H new ATOM 0 HB2 PHE A 3 5.702 -7.291 -0.438 1.00 75.13 H new ATOM 0 HB3 PHE A 3 7.049 -7.600 -1.515 1.00 75.13 H new ATOM 0 HD1 PHE A 3 9.439 -7.565 -0.188 1.00 12.23 H new ATOM 0 HD2 PHE A 3 5.649 -8.531 1.499 1.00 70.43 H new ATOM 0 HE1 PHE A 3 10.557 -8.853 1.581 1.00 51.52 H new ATOM 0 HE2 PHE A 3 6.761 -9.820 3.266 1.00 35.35 H new ATOM 0 HZ PHE A 3 9.219 -9.978 3.316 1.00 43.10 H new ATOM 59 N PRO A 4 7.091 -4.751 -2.809 1.00 13.52 N ATOM 60 CA PRO A 4 6.490 -4.128 -3.988 1.00 3.21 C ATOM 61 C PRO A 4 5.436 -5.030 -4.619 1.00 50.32 C ATOM 62 O PRO A 4 5.633 -6.240 -4.745 1.00 23.14 O ATOM 63 CB PRO A 4 7.669 -3.928 -4.950 1.00 41.13 C ATOM 64 CG PRO A 4 8.894 -4.131 -4.125 1.00 1.13 C ATOM 65 CD PRO A 4 8.502 -5.084 -3.031 1.00 73.52 C ATOM 0 HA PRO A 4 5.979 -3.197 -3.742 1.00 3.21 H new ATOM 0 HB2 PRO A 4 7.628 -4.640 -5.774 1.00 41.13 H new ATOM 0 HB3 PRO A 4 7.652 -2.931 -5.389 1.00 41.13 H new ATOM 0 HG2 PRO A 4 9.706 -4.540 -4.726 1.00 1.13 H new ATOM 0 HG3 PRO A 4 9.247 -3.186 -3.712 1.00 1.13 H new ATOM 0 HD2 PRO A 4 8.631 -6.123 -3.333 1.00 73.52 H new ATOM 0 HD3 PRO A 4 9.100 -4.937 -2.132 1.00 73.52 H new ATOM 73 N GLY A 5 4.323 -4.438 -5.022 1.00 65.44 N ATOM 74 CA GLY A 5 3.225 -5.211 -5.562 1.00 12.21 C ATOM 75 C GLY A 5 2.219 -5.580 -4.494 1.00 72.21 C ATOM 76 O GLY A 5 1.254 -6.302 -4.754 1.00 5.13 O ATOM 0 H GLY A 5 4.160 -3.432 -4.985 1.00 65.44 H new ATOM 0 HA2 GLY A 5 2.729 -4.639 -6.346 1.00 12.21 H new ATOM 0 HA3 GLY A 5 3.613 -6.118 -6.025 1.00 12.21 H new ATOM 80 N ALA A 6 2.443 -5.077 -3.289 1.00 52.12 N ATOM 81 CA ALA A 6 1.558 -5.354 -2.171 1.00 24.30 C ATOM 82 C ALA A 6 0.633 -4.174 -1.921 1.00 2.23 C ATOM 83 O ALA A 6 0.900 -3.058 -2.377 1.00 52.23 O ATOM 84 CB ALA A 6 2.369 -5.673 -0.924 1.00 70.15 C ATOM 0 H ALA A 6 3.233 -4.473 -3.062 1.00 52.12 H new ATOM 0 HA ALA A 6 0.946 -6.222 -2.417 1.00 24.30 H new ATOM 0 HB1 ALA A 6 1.694 -5.879 -0.094 1.00 70.15 H new ATOM 0 HB2 ALA A 6 2.993 -6.547 -1.109 1.00 70.15 H new ATOM 0 HB3 ALA A 6 3.002 -4.822 -0.674 1.00 70.15 H new ATOM 90 N THR A 7 -0.449 -4.425 -1.203 1.00 33.14 N ATOM 91 CA THR A 7 -1.413 -3.389 -0.892 1.00 74.33 C ATOM 92 C THR A 7 -1.008 -2.657 0.384 1.00 25.24 C ATOM 93 O THR A 7 -0.688 -3.283 1.397 1.00 45.41 O ATOM 94 CB THR A 7 -2.819 -3.990 -0.716 1.00 75.14 C ATOM 95 OG1 THR A 7 -3.056 -4.966 -1.741 1.00 73.01 O ATOM 96 CG2 THR A 7 -3.890 -2.912 -0.784 1.00 54.13 C ATOM 0 H THR A 7 -0.680 -5.343 -0.824 1.00 33.14 H new ATOM 0 HA THR A 7 -1.432 -2.683 -1.722 1.00 74.33 H new ATOM 0 HB THR A 7 -2.869 -4.461 0.266 1.00 75.14 H new ATOM 0 HG1 THR A 7 -3.951 -5.349 -1.627 1.00 73.01 H new ATOM 0 HG21 THR A 7 -4.872 -3.367 -0.656 1.00 54.13 H new ATOM 0 HG22 THR A 7 -3.722 -2.182 0.008 1.00 54.13 H new ATOM 0 HG23 THR A 7 -3.844 -2.414 -1.752 1.00 54.13 H new ATOM 104 N VAL A 8 -1.013 -1.335 0.329 1.00 41.32 N ATOM 105 CA VAL A 8 -0.625 -0.519 1.463 1.00 62.23 C ATOM 106 C VAL A 8 -1.658 0.564 1.736 1.00 64.21 C ATOM 107 O VAL A 8 -2.346 1.028 0.826 1.00 71.12 O ATOM 108 CB VAL A 8 0.751 0.141 1.256 1.00 21.03 C ATOM 109 CG1 VAL A 8 1.852 -0.905 1.261 1.00 14.25 C ATOM 110 CG2 VAL A 8 0.775 0.948 -0.034 1.00 2.44 C ATOM 0 H VAL A 8 -1.284 -0.802 -0.498 1.00 41.32 H new ATOM 0 HA VAL A 8 -0.563 -1.190 2.320 1.00 62.23 H new ATOM 0 HB VAL A 8 0.929 0.826 2.085 1.00 21.03 H new ATOM 0 HG11 VAL A 8 2.816 -0.419 1.113 1.00 14.25 H new ATOM 0 HG12 VAL A 8 1.852 -1.429 2.217 1.00 14.25 H new ATOM 0 HG13 VAL A 8 1.679 -1.619 0.456 1.00 14.25 H new ATOM 0 HG21 VAL A 8 1.757 1.405 -0.159 1.00 2.44 H new ATOM 0 HG22 VAL A 8 0.571 0.290 -0.879 1.00 2.44 H new ATOM 0 HG23 VAL A 8 0.015 1.728 0.011 1.00 2.44 H new ATOM 120 N ARG A 9 -1.769 0.946 2.993 1.00 21.42 N ATOM 121 CA ARG A 9 -2.685 1.999 3.396 1.00 10.40 C ATOM 122 C ARG A 9 -1.894 3.159 3.981 1.00 73.24 C ATOM 123 O ARG A 9 -0.890 2.946 4.660 1.00 60.44 O ATOM 124 CB ARG A 9 -3.686 1.468 4.432 1.00 3.43 C ATOM 125 CG ARG A 9 -4.782 2.462 4.792 1.00 72.33 C ATOM 126 CD ARG A 9 -5.694 1.934 5.890 1.00 71.33 C ATOM 127 NE ARG A 9 -5.002 1.833 7.174 1.00 64.11 N ATOM 128 CZ ARG A 9 -5.617 1.780 8.358 1.00 64.41 C ATOM 129 NH1 ARG A 9 -6.943 1.754 8.435 1.00 2.13 N ATOM 130 NH2 ARG A 9 -4.896 1.716 9.468 1.00 44.13 N ATOM 0 H ARG A 9 -1.232 0.540 3.760 1.00 21.42 H new ATOM 0 HA ARG A 9 -3.241 2.343 2.524 1.00 10.40 H new ATOM 0 HB2 ARG A 9 -4.146 0.558 4.046 1.00 3.43 H new ATOM 0 HB3 ARG A 9 -3.146 1.193 5.338 1.00 3.43 H new ATOM 0 HG2 ARG A 9 -4.329 3.399 5.117 1.00 72.33 H new ATOM 0 HG3 ARG A 9 -5.375 2.685 3.905 1.00 72.33 H new ATOM 0 HD2 ARG A 9 -6.556 2.593 5.993 1.00 71.33 H new ATOM 0 HD3 ARG A 9 -6.075 0.953 5.605 1.00 71.33 H new ATOM 0 HE ARG A 9 -3.983 1.801 7.165 1.00 64.11 H new ATOM 0 HH11 ARG A 9 -7.504 1.775 7.583 1.00 2.13 H new ATOM 0 HH12 ARG A 9 -7.400 1.713 9.346 1.00 2.13 H new ATOM 0 HH21 ARG A 9 -3.877 1.707 9.415 1.00 44.13 H new ATOM 0 HH22 ARG A 9 -5.360 1.675 10.376 1.00 44.13 H new ATOM 144 N VAL A 10 -2.328 4.379 3.700 1.00 2.13 N ATOM 145 CA VAL A 10 -1.680 5.556 4.259 1.00 71.33 C ATOM 146 C VAL A 10 -2.115 5.744 5.708 1.00 14.11 C ATOM 147 O VAL A 10 -3.250 6.140 5.983 1.00 72.43 O ATOM 148 CB VAL A 10 -1.995 6.832 3.451 1.00 14.22 C ATOM 149 CG1 VAL A 10 -1.240 8.025 4.013 1.00 71.14 C ATOM 150 CG2 VAL A 10 -1.665 6.631 1.977 1.00 23.25 C ATOM 0 H VAL A 10 -3.122 4.579 3.092 1.00 2.13 H new ATOM 0 HA VAL A 10 -0.603 5.393 4.210 1.00 71.33 H new ATOM 0 HB VAL A 10 -3.063 7.034 3.537 1.00 14.22 H new ATOM 0 HG11 VAL A 10 -1.477 8.914 3.428 1.00 71.14 H new ATOM 0 HG12 VAL A 10 -1.533 8.185 5.051 1.00 71.14 H new ATOM 0 HG13 VAL A 10 -0.168 7.833 3.964 1.00 71.14 H new ATOM 0 HG21 VAL A 10 -1.895 7.543 1.425 1.00 23.25 H new ATOM 0 HG22 VAL A 10 -0.605 6.399 1.870 1.00 23.25 H new ATOM 0 HG23 VAL A 10 -2.259 5.808 1.580 1.00 23.25 H new ATOM 160 N THR A 11 -1.212 5.431 6.626 1.00 33.30 N ATOM 161 CA THR A 11 -1.507 5.500 8.050 1.00 70.42 C ATOM 162 C THR A 11 -1.186 6.886 8.611 1.00 63.21 C ATOM 163 O THR A 11 -1.440 7.171 9.783 1.00 64.03 O ATOM 164 CB THR A 11 -0.711 4.425 8.814 1.00 3.44 C ATOM 165 OG1 THR A 11 -0.668 3.222 8.036 1.00 41.52 O ATOM 166 CG2 THR A 11 -1.348 4.123 10.163 1.00 72.33 C ATOM 0 H THR A 11 -0.264 5.125 6.408 1.00 33.30 H new ATOM 0 HA THR A 11 -2.573 5.315 8.182 1.00 70.42 H new ATOM 0 HB THR A 11 0.297 4.803 8.984 1.00 3.44 H new ATOM 0 HG1 THR A 11 -1.407 2.635 8.300 1.00 41.52 H new ATOM 0 HG21 THR A 11 -0.764 3.361 10.679 1.00 72.33 H new ATOM 0 HG22 THR A 11 -1.372 5.031 10.765 1.00 72.33 H new ATOM 0 HG23 THR A 11 -2.365 3.761 10.012 1.00 72.33 H new ATOM 174 N ASN A 12 -0.626 7.747 7.764 1.00 70.24 N ATOM 175 CA ASN A 12 -0.327 9.118 8.165 1.00 22.04 C ATOM 176 C ASN A 12 -1.626 9.893 8.354 1.00 12.15 C ATOM 177 O ASN A 12 -2.261 10.303 7.387 1.00 55.12 O ATOM 178 CB ASN A 12 0.563 9.813 7.129 1.00 32.12 C ATOM 179 CG ASN A 12 1.010 11.193 7.579 1.00 2.13 C ATOM 180 OD1 ASN A 12 1.135 11.462 8.776 1.00 12.13 O ATOM 181 ND2 ASN A 12 1.257 12.077 6.625 1.00 31.24 N ATOM 0 H ASN A 12 -0.372 7.521 6.802 1.00 70.24 H new ATOM 0 HA ASN A 12 0.217 9.092 9.109 1.00 22.04 H new ATOM 0 HB2 ASN A 12 1.440 9.196 6.936 1.00 32.12 H new ATOM 0 HB3 ASN A 12 0.020 9.899 6.188 1.00 32.12 H new ATOM 0 HD21 ASN A 12 1.562 13.019 6.869 1.00 31.24 H new ATOM 0 HD22 ASN A 12 1.142 11.816 5.646 1.00 31.24 H new ATOM 188 N VAL A 13 -2.004 10.080 9.612 1.00 32.42 N ATOM 189 CA VAL A 13 -3.304 10.643 9.971 1.00 34.02 C ATOM 190 C VAL A 13 -3.470 12.076 9.467 1.00 45.12 C ATOM 191 O VAL A 13 -4.556 12.479 9.059 1.00 4.22 O ATOM 192 CB VAL A 13 -3.511 10.620 11.500 1.00 11.12 C ATOM 193 CG1 VAL A 13 -4.929 11.034 11.868 1.00 0.11 C ATOM 194 CG2 VAL A 13 -3.188 9.246 12.063 1.00 42.50 C ATOM 0 H VAL A 13 -1.419 9.846 10.414 1.00 32.42 H new ATOM 0 HA VAL A 13 -4.056 10.018 9.488 1.00 34.02 H new ATOM 0 HB VAL A 13 -2.826 11.343 11.943 1.00 11.12 H new ATOM 0 HG11 VAL A 13 -5.046 11.009 12.951 1.00 0.11 H new ATOM 0 HG12 VAL A 13 -5.118 12.045 11.506 1.00 0.11 H new ATOM 0 HG13 VAL A 13 -5.639 10.346 11.410 1.00 0.11 H new ATOM 0 HG21 VAL A 13 -3.340 9.250 13.142 1.00 42.50 H new ATOM 0 HG22 VAL A 13 -3.842 8.503 11.607 1.00 42.50 H new ATOM 0 HG23 VAL A 13 -2.149 8.998 11.844 1.00 42.50 H new ATOM 204 N ASP A 14 -2.381 12.833 9.478 1.00 20.32 N ATOM 205 CA ASP A 14 -2.431 14.253 9.137 1.00 11.54 C ATOM 206 C ASP A 14 -2.487 14.467 7.623 1.00 65.44 C ATOM 207 O ASP A 14 -2.757 15.574 7.146 1.00 31.22 O ATOM 208 CB ASP A 14 -1.217 14.978 9.732 1.00 71.01 C ATOM 209 CG ASP A 14 -1.194 16.459 9.409 1.00 24.31 C ATOM 210 OD1 ASP A 14 -2.068 17.204 9.904 1.00 50.34 O ATOM 211 OD2 ASP A 14 -0.292 16.893 8.664 1.00 34.10 O ATOM 0 H ASP A 14 -1.451 12.490 9.719 1.00 20.32 H new ATOM 0 HA ASP A 14 -3.344 14.669 9.563 1.00 11.54 H new ATOM 0 HB2 ASP A 14 -1.218 14.848 10.814 1.00 71.01 H new ATOM 0 HB3 ASP A 14 -0.304 14.516 9.356 1.00 71.01 H new ATOM 216 N ASP A 15 -2.259 13.409 6.858 1.00 4.53 N ATOM 217 CA ASP A 15 -2.201 13.531 5.405 1.00 1.12 C ATOM 218 C ASP A 15 -3.599 13.467 4.803 1.00 40.23 C ATOM 219 O ASP A 15 -4.533 12.976 5.436 1.00 61.54 O ATOM 220 CB ASP A 15 -1.327 12.434 4.796 1.00 54.13 C ATOM 221 CG ASP A 15 -0.807 12.820 3.426 1.00 41.40 C ATOM 222 OD1 ASP A 15 -1.508 12.583 2.419 1.00 72.24 O ATOM 223 OD2 ASP A 15 0.302 13.392 3.358 1.00 41.40 O ATOM 0 H ASP A 15 -2.112 12.464 7.213 1.00 4.53 H new ATOM 0 HA ASP A 15 -1.758 14.499 5.173 1.00 1.12 H new ATOM 0 HB2 ASP A 15 -0.486 12.230 5.459 1.00 54.13 H new ATOM 0 HB3 ASP A 15 -1.903 11.512 4.719 1.00 54.13 H new ATOM 228 N THR A 16 -3.733 13.957 3.579 1.00 70.22 N ATOM 229 CA THR A 16 -5.012 13.967 2.888 1.00 71.35 C ATOM 230 C THR A 16 -5.412 12.552 2.484 1.00 74.31 C ATOM 231 O THR A 16 -6.595 12.204 2.472 1.00 4.12 O ATOM 232 CB THR A 16 -4.948 14.852 1.629 1.00 73.02 C ATOM 233 OG1 THR A 16 -4.298 16.091 1.941 1.00 54.23 O ATOM 234 CG2 THR A 16 -6.341 15.133 1.083 1.00 41.02 C ATOM 0 H THR A 16 -2.964 14.356 3.041 1.00 70.22 H new ATOM 0 HA THR A 16 -5.756 14.374 3.573 1.00 71.35 H new ATOM 0 HB THR A 16 -4.381 14.318 0.867 1.00 73.02 H new ATOM 0 HG1 THR A 16 -4.258 16.651 1.137 1.00 54.23 H new ATOM 0 HG21 THR A 16 -6.264 15.760 0.195 1.00 41.02 H new ATOM 0 HG22 THR A 16 -6.826 14.192 0.822 1.00 41.02 H new ATOM 0 HG23 THR A 16 -6.932 15.648 1.840 1.00 41.02 H new ATOM 242 N TYR A 17 -4.414 11.728 2.183 1.00 22.14 N ATOM 243 CA TYR A 17 -4.663 10.369 1.717 1.00 32.21 C ATOM 244 C TYR A 17 -4.788 9.399 2.885 1.00 22.31 C ATOM 245 O TYR A 17 -4.643 8.191 2.717 1.00 13.21 O ATOM 246 CB TYR A 17 -3.544 9.911 0.779 1.00 42.34 C ATOM 247 CG TYR A 17 -3.467 10.689 -0.517 1.00 12.43 C ATOM 248 CD1 TYR A 17 -2.770 11.889 -0.589 1.00 21.45 C ATOM 249 CD2 TYR A 17 -4.084 10.220 -1.670 1.00 53.50 C ATOM 250 CE1 TYR A 17 -2.694 12.600 -1.770 1.00 13.24 C ATOM 251 CE2 TYR A 17 -4.010 10.925 -2.856 1.00 35.11 C ATOM 252 CZ TYR A 17 -3.314 12.115 -2.900 1.00 25.43 C ATOM 253 OH TYR A 17 -3.237 12.822 -4.079 1.00 14.43 O ATOM 0 H TYR A 17 -3.427 11.977 2.253 1.00 22.14 H new ATOM 0 HA TYR A 17 -5.607 10.374 1.172 1.00 32.21 H new ATOM 0 HB2 TYR A 17 -2.590 9.997 1.299 1.00 42.34 H new ATOM 0 HB3 TYR A 17 -3.687 8.855 0.549 1.00 42.34 H new ATOM 0 HD1 TYR A 17 -2.280 12.272 0.294 1.00 21.45 H new ATOM 0 HD2 TYR A 17 -4.630 9.289 -1.639 1.00 53.50 H new ATOM 0 HE1 TYR A 17 -2.151 13.533 -1.808 1.00 13.24 H new ATOM 0 HE2 TYR A 17 -4.495 10.546 -3.744 1.00 35.11 H new ATOM 0 HH TYR A 17 -3.726 12.343 -4.780 1.00 14.43 H new ATOM 263 N TYR A 18 -5.090 9.931 4.059 1.00 1.35 N ATOM 264 CA TYR A 18 -5.235 9.110 5.251 1.00 5.14 C ATOM 265 C TYR A 18 -6.329 8.065 5.069 1.00 31.52 C ATOM 266 O TYR A 18 -7.425 8.368 4.585 1.00 21.35 O ATOM 267 CB TYR A 18 -5.534 9.977 6.478 1.00 25.13 C ATOM 268 CG TYR A 18 -5.864 9.167 7.716 1.00 24.35 C ATOM 269 CD1 TYR A 18 -4.970 8.227 8.213 1.00 0.31 C ATOM 270 CD2 TYR A 18 -7.079 9.327 8.371 1.00 15.25 C ATOM 271 CE1 TYR A 18 -5.273 7.471 9.327 1.00 53.23 C ATOM 272 CE2 TYR A 18 -7.393 8.570 9.487 1.00 24.44 C ATOM 273 CZ TYR A 18 -6.485 7.646 9.960 1.00 65.12 C ATOM 274 OH TYR A 18 -6.798 6.885 11.061 1.00 75.52 O ATOM 0 H TYR A 18 -5.240 10.928 4.212 1.00 1.35 H new ATOM 0 HA TYR A 18 -4.289 8.593 5.411 1.00 5.14 H new ATOM 0 HB2 TYR A 18 -4.672 10.611 6.686 1.00 25.13 H new ATOM 0 HB3 TYR A 18 -6.370 10.639 6.252 1.00 25.13 H new ATOM 0 HD1 TYR A 18 -4.020 8.085 7.718 1.00 0.31 H new ATOM 0 HD2 TYR A 18 -7.789 10.053 8.004 1.00 15.25 H new ATOM 0 HE1 TYR A 18 -4.565 6.746 9.701 1.00 53.23 H new ATOM 0 HE2 TYR A 18 -8.343 8.702 9.984 1.00 24.44 H new ATOM 0 HH TYR A 18 -7.688 7.133 11.388 1.00 75.52 H new ATOM 284 N ARG A 19 -5.990 6.829 5.430 1.00 5.14 N ATOM 285 CA ARG A 19 -6.909 5.695 5.424 1.00 23.21 C ATOM 286 C ARG A 19 -7.186 5.193 4.008 1.00 35.32 C ATOM 287 O ARG A 19 -7.884 4.196 3.832 1.00 31.21 O ATOM 288 CB ARG A 19 -8.227 6.022 6.131 1.00 40.11 C ATOM 289 CG ARG A 19 -8.818 4.825 6.855 1.00 31.41 C ATOM 290 CD ARG A 19 -10.322 4.947 7.040 1.00 23.13 C ATOM 291 NE ARG A 19 -10.840 3.935 7.967 1.00 24.23 N ATOM 292 CZ ARG A 19 -10.841 2.616 7.730 1.00 65.33 C ATOM 293 NH1 ARG A 19 -10.492 2.141 6.537 1.00 64.55 N ATOM 294 NH2 ARG A 19 -11.244 1.776 8.677 1.00 35.24 N ATOM 0 H ARG A 19 -5.050 6.584 5.741 1.00 5.14 H new ATOM 0 HA ARG A 19 -6.413 4.899 5.979 1.00 23.21 H new ATOM 0 HB2 ARG A 19 -8.061 6.828 6.846 1.00 40.11 H new ATOM 0 HB3 ARG A 19 -8.946 6.389 5.399 1.00 40.11 H new ATOM 0 HG2 ARG A 19 -8.596 3.918 6.293 1.00 31.41 H new ATOM 0 HG3 ARG A 19 -8.342 4.721 7.830 1.00 31.41 H new ATOM 0 HD2 ARG A 19 -10.563 5.941 7.416 1.00 23.13 H new ATOM 0 HD3 ARG A 19 -10.817 4.843 6.074 1.00 23.13 H new ATOM 0 HE ARG A 19 -11.226 4.258 8.854 1.00 24.23 H new ATOM 0 HH11 ARG A 19 -10.220 2.783 5.792 1.00 64.55 H new ATOM 0 HH12 ARG A 19 -10.496 1.135 6.367 1.00 64.55 H new ATOM 0 HH21 ARG A 19 -11.551 2.136 9.581 1.00 35.24 H new ATOM 0 HH22 ARG A 19 -11.246 0.771 8.500 1.00 35.24 H new ATOM 308 N PHE A 20 -6.646 5.869 3.002 1.00 20.13 N ATOM 309 CA PHE A 20 -6.778 5.399 1.632 1.00 43.22 C ATOM 310 C PHE A 20 -5.805 4.261 1.387 1.00 51.53 C ATOM 311 O PHE A 20 -4.734 4.206 1.998 1.00 4.20 O ATOM 312 CB PHE A 20 -6.534 6.524 0.628 1.00 63.43 C ATOM 313 CG PHE A 20 -7.672 7.499 0.516 1.00 1.31 C ATOM 314 CD1 PHE A 20 -8.719 7.257 -0.361 1.00 53.52 C ATOM 315 CD2 PHE A 20 -7.697 8.654 1.278 1.00 1.02 C ATOM 316 CE1 PHE A 20 -9.766 8.151 -0.473 1.00 61.54 C ATOM 317 CE2 PHE A 20 -8.743 9.550 1.168 1.00 62.22 C ATOM 318 CZ PHE A 20 -9.777 9.298 0.292 1.00 21.11 C ATOM 0 H PHE A 20 -6.118 6.735 3.108 1.00 20.13 H new ATOM 0 HA PHE A 20 -7.799 5.045 1.491 1.00 43.22 H new ATOM 0 HB2 PHE A 20 -5.632 7.065 0.916 1.00 63.43 H new ATOM 0 HB3 PHE A 20 -6.345 6.088 -0.353 1.00 63.43 H new ATOM 0 HD1 PHE A 20 -8.716 6.360 -0.963 1.00 53.52 H new ATOM 0 HD2 PHE A 20 -6.890 8.857 1.966 1.00 1.02 H new ATOM 0 HE1 PHE A 20 -10.576 7.952 -1.159 1.00 61.54 H new ATOM 0 HE2 PHE A 20 -8.750 10.448 1.768 1.00 62.22 H new ATOM 0 HZ PHE A 20 -10.595 9.998 0.205 1.00 21.11 H new ATOM 328 N GLU A 21 -6.182 3.358 0.500 1.00 64.13 N ATOM 329 CA GLU A 21 -5.411 2.149 0.267 1.00 70.04 C ATOM 330 C GLU A 21 -5.058 2.011 -1.207 1.00 54.41 C ATOM 331 O GLU A 21 -5.895 2.239 -2.082 1.00 54.04 O ATOM 332 CB GLU A 21 -6.201 0.925 0.741 1.00 54.14 C ATOM 333 CG GLU A 21 -6.701 1.050 2.173 1.00 20.12 C ATOM 334 CD GLU A 21 -7.445 -0.175 2.657 1.00 54.32 C ATOM 335 OE1 GLU A 21 -8.580 -0.418 2.187 1.00 1.44 O ATOM 336 OE2 GLU A 21 -6.912 -0.892 3.525 1.00 34.32 O ATOM 0 H GLU A 21 -7.021 3.439 -0.074 1.00 64.13 H new ATOM 0 HA GLU A 21 -4.483 2.214 0.835 1.00 70.04 H new ATOM 0 HB2 GLU A 21 -7.053 0.772 0.078 1.00 54.14 H new ATOM 0 HB3 GLU A 21 -5.570 0.040 0.660 1.00 54.14 H new ATOM 0 HG2 GLU A 21 -5.852 1.235 2.832 1.00 20.12 H new ATOM 0 HG3 GLU A 21 -7.357 1.917 2.247 1.00 20.12 H new ATOM 343 N GLY A 22 -3.816 1.644 -1.468 1.00 42.24 N ATOM 344 CA GLY A 22 -3.354 1.465 -2.825 1.00 73.34 C ATOM 345 C GLY A 22 -2.285 0.401 -2.897 1.00 31.30 C ATOM 346 O GLY A 22 -2.041 -0.295 -1.912 1.00 44.34 O ATOM 0 H GLY A 22 -3.111 1.465 -0.753 1.00 42.24 H new ATOM 0 HA2 GLY A 22 -4.192 1.187 -3.465 1.00 73.34 H new ATOM 0 HA3 GLY A 22 -2.960 2.407 -3.206 1.00 73.34 H new ATOM 350 N LEU A 23 -1.646 0.256 -4.046 1.00 24.51 N ATOM 351 CA LEU A 23 -0.593 -0.728 -4.198 1.00 13.55 C ATOM 352 C LEU A 23 0.755 -0.054 -4.400 1.00 50.10 C ATOM 353 O LEU A 23 0.831 1.059 -4.919 1.00 55.33 O ATOM 354 CB LEU A 23 -0.896 -1.659 -5.370 1.00 63.50 C ATOM 355 CG LEU A 23 -1.827 -2.837 -5.055 1.00 1.01 C ATOM 356 CD1 LEU A 23 -3.272 -2.377 -4.934 1.00 30.04 C ATOM 357 CD2 LEU A 23 -1.699 -3.916 -6.115 1.00 71.30 C ATOM 0 H LEU A 23 -1.839 0.806 -4.883 1.00 24.51 H new ATOM 0 HA LEU A 23 -0.549 -1.318 -3.283 1.00 13.55 H new ATOM 0 HB2 LEU A 23 -1.342 -1.071 -6.172 1.00 63.50 H new ATOM 0 HB3 LEU A 23 0.046 -2.055 -5.750 1.00 63.50 H new ATOM 0 HG LEU A 23 -1.526 -3.256 -4.095 1.00 1.01 H new ATOM 0 HD11 LEU A 23 -3.909 -3.233 -4.710 1.00 30.04 H new ATOM 0 HD12 LEU A 23 -3.354 -1.644 -4.132 1.00 30.04 H new ATOM 0 HD13 LEU A 23 -3.589 -1.924 -5.873 1.00 30.04 H new ATOM 0 HD21 LEU A 23 -2.367 -4.743 -5.875 1.00 71.30 H new ATOM 0 HD22 LEU A 23 -1.967 -3.504 -7.088 1.00 71.30 H new ATOM 0 HD23 LEU A 23 -0.671 -4.277 -6.145 1.00 71.30 H new ATOM 369 N VAL A 24 1.811 -0.725 -3.967 1.00 21.42 N ATOM 370 CA VAL A 24 3.166 -0.232 -4.158 1.00 12.44 C ATOM 371 C VAL A 24 3.712 -0.701 -5.496 1.00 73.24 C ATOM 372 O VAL A 24 3.895 -1.898 -5.706 1.00 34.35 O ATOM 373 CB VAL A 24 4.106 -0.716 -3.036 1.00 43.00 C ATOM 374 CG1 VAL A 24 5.529 -0.243 -3.285 1.00 52.41 C ATOM 375 CG2 VAL A 24 3.622 -0.230 -1.682 1.00 52.53 C ATOM 0 H VAL A 24 1.755 -1.618 -3.478 1.00 21.42 H new ATOM 0 HA VAL A 24 3.124 0.857 -4.134 1.00 12.44 H new ATOM 0 HB VAL A 24 4.097 -1.806 -3.037 1.00 43.00 H new ATOM 0 HG11 VAL A 24 6.175 -0.596 -2.481 1.00 52.41 H new ATOM 0 HG12 VAL A 24 5.883 -0.640 -4.236 1.00 52.41 H new ATOM 0 HG13 VAL A 24 5.550 0.846 -3.316 1.00 52.41 H new ATOM 0 HG21 VAL A 24 4.300 -0.583 -0.905 1.00 52.53 H new ATOM 0 HG22 VAL A 24 3.597 0.860 -1.674 1.00 52.53 H new ATOM 0 HG23 VAL A 24 2.621 -0.617 -1.493 1.00 52.53 H new ATOM 385 N GLN A 25 3.971 0.229 -6.400 1.00 13.15 N ATOM 386 CA GLN A 25 4.510 -0.126 -7.706 1.00 74.44 C ATOM 387 C GLN A 25 6.010 -0.380 -7.619 1.00 32.01 C ATOM 388 O GLN A 25 6.562 -1.162 -8.389 1.00 61.53 O ATOM 389 CB GLN A 25 4.218 0.969 -8.731 1.00 3.02 C ATOM 390 CG GLN A 25 3.044 0.644 -9.646 1.00 52.45 C ATOM 391 CD GLN A 25 1.747 0.410 -8.892 1.00 24.22 C ATOM 392 OE1 GLN A 25 1.505 1.005 -7.847 1.00 22.42 O ATOM 393 NE2 GLN A 25 0.910 -0.471 -9.417 1.00 75.21 N ATOM 0 H GLN A 25 3.819 1.228 -6.258 1.00 13.15 H new ATOM 0 HA GLN A 25 4.021 -1.043 -8.033 1.00 74.44 H new ATOM 0 HB2 GLN A 25 4.013 1.902 -8.206 1.00 3.02 H new ATOM 0 HB3 GLN A 25 5.108 1.134 -9.339 1.00 3.02 H new ATOM 0 HG2 GLN A 25 2.904 1.463 -10.352 1.00 52.45 H new ATOM 0 HG3 GLN A 25 3.282 -0.244 -10.231 1.00 52.45 H new ATOM 0 HE21 GLN A 25 1.149 -0.945 -10.288 1.00 75.21 H new ATOM 0 HE22 GLN A 25 0.027 -0.676 -8.950 1.00 75.21 H new ATOM 402 N ARG A 26 6.657 0.277 -6.662 1.00 53.43 N ATOM 403 CA ARG A 26 8.093 0.149 -6.472 1.00 42.20 C ATOM 404 C ARG A 26 8.524 0.814 -5.174 1.00 4.43 C ATOM 405 O ARG A 26 8.093 1.924 -4.851 1.00 21.44 O ATOM 406 CB ARG A 26 8.864 0.742 -7.659 1.00 21.34 C ATOM 407 CG ARG A 26 8.339 2.088 -8.135 1.00 32.12 C ATOM 408 CD ARG A 26 9.168 2.622 -9.288 1.00 24.02 C ATOM 409 NE ARG A 26 8.527 3.750 -9.956 1.00 25.13 N ATOM 410 CZ ARG A 26 9.192 4.744 -10.541 1.00 44.14 C ATOM 411 NH1 ARG A 26 10.520 4.785 -10.483 1.00 11.20 N ATOM 412 NH2 ARG A 26 8.525 5.701 -11.175 1.00 72.42 N ATOM 0 H ARG A 26 6.203 0.908 -6.002 1.00 53.43 H new ATOM 0 HA ARG A 26 8.328 -0.914 -6.413 1.00 42.20 H new ATOM 0 HB2 ARG A 26 9.912 0.852 -7.379 1.00 21.34 H new ATOM 0 HB3 ARG A 26 8.829 0.037 -8.489 1.00 21.34 H new ATOM 0 HG2 ARG A 26 7.300 1.986 -8.447 1.00 32.12 H new ATOM 0 HG3 ARG A 26 8.356 2.801 -7.310 1.00 32.12 H new ATOM 0 HD2 ARG A 26 10.146 2.930 -8.917 1.00 24.02 H new ATOM 0 HD3 ARG A 26 9.338 1.824 -10.010 1.00 24.02 H new ATOM 0 HE ARG A 26 7.508 3.779 -9.976 1.00 25.13 H new ATOM 0 HH11 ARG A 26 11.032 4.054 -9.989 1.00 11.20 H new ATOM 0 HH12 ARG A 26 11.027 5.548 -10.932 1.00 11.20 H new ATOM 0 HH21 ARG A 26 7.506 5.673 -11.213 1.00 72.42 H new ATOM 0 HH22 ARG A 26 9.031 6.464 -11.624 1.00 72.42 H new ATOM 426 N VAL A 27 9.344 0.105 -4.422 1.00 24.41 N ATOM 427 CA VAL A 27 9.904 0.622 -3.183 1.00 45.52 C ATOM 428 C VAL A 27 11.267 1.246 -3.454 1.00 61.34 C ATOM 429 O VAL A 27 12.082 0.682 -4.183 1.00 11.51 O ATOM 430 CB VAL A 27 10.050 -0.492 -2.121 1.00 0.14 C ATOM 431 CG1 VAL A 27 10.627 0.060 -0.824 1.00 62.52 C ATOM 432 CG2 VAL A 27 8.712 -1.167 -1.861 1.00 21.34 C ATOM 0 H VAL A 27 9.642 -0.844 -4.650 1.00 24.41 H new ATOM 0 HA VAL A 27 9.220 1.377 -2.795 1.00 45.52 H new ATOM 0 HB VAL A 27 10.743 -1.237 -2.512 1.00 0.14 H new ATOM 0 HG11 VAL A 27 10.719 -0.745 -0.095 1.00 62.52 H new ATOM 0 HG12 VAL A 27 11.610 0.489 -1.017 1.00 62.52 H new ATOM 0 HG13 VAL A 27 9.965 0.832 -0.431 1.00 62.52 H new ATOM 0 HG21 VAL A 27 8.838 -1.947 -1.111 1.00 21.34 H new ATOM 0 HG22 VAL A 27 7.996 -0.429 -1.500 1.00 21.34 H new ATOM 0 HG23 VAL A 27 8.342 -1.609 -2.786 1.00 21.34 H new ATOM 442 N SER A 28 11.505 2.412 -2.886 1.00 73.41 N ATOM 443 CA SER A 28 12.759 3.111 -3.074 1.00 1.33 C ATOM 444 C SER A 28 13.591 3.040 -1.796 1.00 71.04 C ATOM 445 O SER A 28 13.375 2.173 -0.950 1.00 3.52 O ATOM 446 CB SER A 28 12.486 4.565 -3.474 1.00 73.11 C ATOM 447 OG SER A 28 13.660 5.194 -3.965 1.00 33.43 O ATOM 0 H SER A 28 10.839 2.898 -2.285 1.00 73.41 H new ATOM 0 HA SER A 28 13.325 2.635 -3.875 1.00 1.33 H new ATOM 0 HB2 SER A 28 11.709 4.595 -4.237 1.00 73.11 H new ATOM 0 HB3 SER A 28 12.108 5.117 -2.613 1.00 73.11 H new ATOM 0 HG SER A 28 13.456 6.120 -4.214 1.00 33.43 H new ATOM 453 N ASP A 29 14.543 3.951 -1.672 1.00 15.35 N ATOM 454 CA ASP A 29 15.435 4.000 -0.517 1.00 15.14 C ATOM 455 C ASP A 29 14.665 4.195 0.781 1.00 71.32 C ATOM 456 O ASP A 29 15.037 3.675 1.836 1.00 51.31 O ATOM 457 CB ASP A 29 16.463 5.119 -0.702 1.00 23.03 C ATOM 458 CG ASP A 29 17.326 5.332 0.524 1.00 51.22 C ATOM 459 OD1 ASP A 29 18.282 4.551 0.729 1.00 11.30 O ATOM 460 OD2 ASP A 29 17.056 6.284 1.289 1.00 22.22 O ATOM 0 H ASP A 29 14.722 4.677 -2.366 1.00 15.35 H new ATOM 0 HA ASP A 29 15.951 3.043 -0.449 1.00 15.14 H new ATOM 0 HB2 ASP A 29 17.101 4.883 -1.553 1.00 23.03 H new ATOM 0 HB3 ASP A 29 15.944 6.047 -0.941 1.00 23.03 H new ATOM 465 N GLY A 30 13.590 4.937 0.676 1.00 54.43 N ATOM 466 CA GLY A 30 12.735 5.196 1.814 1.00 14.15 C ATOM 467 C GLY A 30 11.314 5.526 1.403 1.00 14.51 C ATOM 468 O GLY A 30 10.411 5.568 2.239 1.00 44.23 O ATOM 0 H GLY A 30 13.283 5.376 -0.192 1.00 54.43 H new ATOM 0 HA2 GLY A 30 12.729 4.323 2.467 1.00 14.15 H new ATOM 0 HA3 GLY A 30 13.145 6.024 2.393 1.00 14.15 H new ATOM 472 N LYS A 31 11.118 5.782 0.117 1.00 34.31 N ATOM 473 CA LYS A 31 9.808 6.094 -0.410 1.00 71.35 C ATOM 474 C LYS A 31 9.218 4.906 -1.165 1.00 62.33 C ATOM 475 O LYS A 31 9.894 3.905 -1.392 1.00 25.05 O ATOM 476 CB LYS A 31 9.922 7.290 -1.349 1.00 41.01 C ATOM 477 CG LYS A 31 10.289 8.587 -0.653 1.00 62.02 C ATOM 478 CD LYS A 31 10.433 9.723 -1.649 1.00 63.41 C ATOM 479 CE LYS A 31 10.773 11.033 -0.959 1.00 5.53 C ATOM 480 NZ LYS A 31 12.090 10.976 -0.275 1.00 22.30 N ATOM 0 H LYS A 31 11.861 5.778 -0.582 1.00 34.31 H new ATOM 0 HA LYS A 31 9.145 6.328 0.423 1.00 71.35 H new ATOM 0 HB2 LYS A 31 10.672 7.072 -2.109 1.00 41.01 H new ATOM 0 HB3 LYS A 31 8.973 7.424 -1.868 1.00 41.01 H new ATOM 0 HG2 LYS A 31 9.523 8.838 0.081 1.00 62.02 H new ATOM 0 HG3 LYS A 31 11.224 8.458 -0.107 1.00 62.02 H new ATOM 0 HD2 LYS A 31 11.213 9.478 -2.370 1.00 63.41 H new ATOM 0 HD3 LYS A 31 9.505 9.836 -2.209 1.00 63.41 H new ATOM 0 HE2 LYS A 31 10.781 11.838 -1.693 1.00 5.53 H new ATOM 0 HE3 LYS A 31 9.997 11.272 -0.232 1.00 5.53 H new ATOM 0 HZ1 LYS A 31 12.369 11.933 0.021 1.00 22.30 H new ATOM 0 HZ2 LYS A 31 12.021 10.361 0.561 1.00 22.30 H new ATOM 0 HZ3 LYS A 31 12.804 10.594 -0.928 1.00 22.30 H new ATOM 494 N ALA A 32 7.956 5.032 -1.547 1.00 44.34 N ATOM 495 CA ALA A 32 7.277 4.025 -2.345 1.00 11.41 C ATOM 496 C ALA A 32 6.199 4.676 -3.198 1.00 73.53 C ATOM 497 O ALA A 32 5.517 5.596 -2.746 1.00 24.20 O ATOM 498 CB ALA A 32 6.674 2.951 -1.451 1.00 4.34 C ATOM 0 H ALA A 32 7.374 5.836 -1.312 1.00 44.34 H new ATOM 0 HA ALA A 32 8.005 3.551 -3.003 1.00 11.41 H new ATOM 0 HB1 ALA A 32 6.170 2.206 -2.067 1.00 4.34 H new ATOM 0 HB2 ALA A 32 7.465 2.471 -0.875 1.00 4.34 H new ATOM 0 HB3 ALA A 32 5.955 3.406 -0.770 1.00 4.34 H new ATOM 504 N ALA A 33 6.052 4.213 -4.430 1.00 10.00 N ATOM 505 CA ALA A 33 5.054 4.767 -5.335 1.00 65.01 C ATOM 506 C ALA A 33 3.743 4.015 -5.174 1.00 73.52 C ATOM 507 O ALA A 33 3.656 2.834 -5.513 1.00 34.33 O ATOM 508 CB ALA A 33 5.540 4.693 -6.777 1.00 12.50 C ATOM 0 H ALA A 33 6.610 3.456 -4.826 1.00 10.00 H new ATOM 0 HA ALA A 33 4.893 5.816 -5.086 1.00 65.01 H new ATOM 0 HB1 ALA A 33 4.781 5.111 -7.439 1.00 12.50 H new ATOM 0 HB2 ALA A 33 6.464 5.262 -6.879 1.00 12.50 H new ATOM 0 HB3 ALA A 33 5.723 3.653 -7.046 1.00 12.50 H new ATOM 514 N VAL A 34 2.739 4.690 -4.638 1.00 4.20 N ATOM 515 CA VAL A 34 1.461 4.057 -4.356 1.00 23.34 C ATOM 516 C VAL A 34 0.412 4.458 -5.386 1.00 53.14 C ATOM 517 O VAL A 34 0.144 5.644 -5.586 1.00 63.44 O ATOM 518 CB VAL A 34 0.948 4.429 -2.948 1.00 20.51 C ATOM 519 CG1 VAL A 34 -0.327 3.670 -2.613 1.00 25.33 C ATOM 520 CG2 VAL A 34 2.018 4.166 -1.902 1.00 4.20 C ATOM 0 H VAL A 34 2.785 5.678 -4.389 1.00 4.20 H new ATOM 0 HA VAL A 34 1.623 2.980 -4.404 1.00 23.34 H new ATOM 0 HB VAL A 34 0.717 5.494 -2.944 1.00 20.51 H new ATOM 0 HG11 VAL A 34 -0.666 3.951 -1.616 1.00 25.33 H new ATOM 0 HG12 VAL A 34 -1.099 3.916 -3.342 1.00 25.33 H new ATOM 0 HG13 VAL A 34 -0.130 2.598 -2.641 1.00 25.33 H new ATOM 0 HG21 VAL A 34 1.637 4.434 -0.917 1.00 4.20 H new ATOM 0 HG22 VAL A 34 2.285 3.109 -1.912 1.00 4.20 H new ATOM 0 HG23 VAL A 34 2.901 4.765 -2.126 1.00 4.20 H new ATOM 530 N LEU A 35 -0.163 3.469 -6.046 1.00 70.43 N ATOM 531 CA LEU A 35 -1.227 3.715 -7.003 1.00 5.10 C ATOM 532 C LEU A 35 -2.579 3.685 -6.307 1.00 70.13 C ATOM 533 O LEU A 35 -2.949 2.685 -5.688 1.00 75.22 O ATOM 534 CB LEU A 35 -1.206 2.668 -8.116 1.00 61.21 C ATOM 535 CG LEU A 35 -2.170 2.920 -9.271 1.00 73.01 C ATOM 536 CD1 LEU A 35 -1.830 4.219 -9.982 1.00 13.30 C ATOM 537 CD2 LEU A 35 -2.151 1.752 -10.245 1.00 35.41 C ATOM 0 H LEU A 35 0.089 2.487 -5.937 1.00 70.43 H new ATOM 0 HA LEU A 35 -1.066 4.700 -7.441 1.00 5.10 H new ATOM 0 HB2 LEU A 35 -0.194 2.609 -8.516 1.00 61.21 H new ATOM 0 HB3 LEU A 35 -1.434 1.695 -7.681 1.00 61.21 H new ATOM 0 HG LEU A 35 -3.177 3.011 -8.864 1.00 73.01 H new ATOM 0 HD11 LEU A 35 -2.530 4.379 -10.802 1.00 13.30 H new ATOM 0 HD12 LEU A 35 -1.900 5.048 -9.278 1.00 13.30 H new ATOM 0 HD13 LEU A 35 -0.815 4.163 -10.377 1.00 13.30 H new ATOM 0 HD21 LEU A 35 -2.844 1.949 -11.063 1.00 35.41 H new ATOM 0 HD22 LEU A 35 -1.145 1.628 -10.645 1.00 35.41 H new ATOM 0 HD23 LEU A 35 -2.450 0.841 -9.727 1.00 35.41 H new ATOM 549 N PHE A 36 -3.304 4.781 -6.406 1.00 32.21 N ATOM 550 CA PHE A 36 -4.624 4.876 -5.812 1.00 12.43 C ATOM 551 C PHE A 36 -5.692 4.693 -6.874 1.00 2.23 C ATOM 552 O PHE A 36 -5.474 5.001 -8.048 1.00 4.25 O ATOM 553 CB PHE A 36 -4.806 6.220 -5.108 1.00 4.01 C ATOM 554 CG PHE A 36 -3.941 6.383 -3.894 1.00 64.41 C ATOM 555 CD1 PHE A 36 -4.335 5.855 -2.675 1.00 5.13 C ATOM 556 CD2 PHE A 36 -2.736 7.057 -3.972 1.00 71.43 C ATOM 557 CE1 PHE A 36 -3.542 5.999 -1.555 1.00 61.10 C ATOM 558 CE2 PHE A 36 -1.938 7.204 -2.856 1.00 44.34 C ATOM 559 CZ PHE A 36 -2.341 6.675 -1.645 1.00 34.44 C ATOM 0 H PHE A 36 -3.000 5.623 -6.895 1.00 32.21 H new ATOM 0 HA PHE A 36 -4.723 4.083 -5.070 1.00 12.43 H new ATOM 0 HB2 PHE A 36 -4.585 7.022 -5.812 1.00 4.01 H new ATOM 0 HB3 PHE A 36 -5.851 6.330 -4.817 1.00 4.01 H new ATOM 0 HD1 PHE A 36 -5.273 5.325 -2.601 1.00 5.13 H new ATOM 0 HD2 PHE A 36 -2.416 7.473 -4.916 1.00 71.43 H new ATOM 0 HE1 PHE A 36 -3.860 5.584 -0.610 1.00 61.10 H new ATOM 0 HE2 PHE A 36 -0.999 7.732 -2.929 1.00 44.34 H new ATOM 0 HZ PHE A 36 -1.718 6.790 -0.770 1.00 34.44 H new ATOM 569 N GLU A 37 -6.842 4.192 -6.456 1.00 72.02 N ATOM 570 CA GLU A 37 -7.918 3.882 -7.381 1.00 75.44 C ATOM 571 C GLU A 37 -9.182 4.651 -6.996 1.00 60.33 C ATOM 572 O GLU A 37 -9.640 5.513 -7.742 1.00 21.21 O ATOM 573 CB GLU A 37 -8.164 2.365 -7.376 1.00 23.23 C ATOM 574 CG GLU A 37 -8.854 1.819 -8.621 1.00 32.21 C ATOM 575 CD GLU A 37 -10.353 2.023 -8.619 1.00 0.03 C ATOM 576 OE1 GLU A 37 -11.027 1.490 -7.712 1.00 40.02 O ATOM 577 OE2 GLU A 37 -10.870 2.698 -9.534 1.00 53.50 O ATOM 0 H GLU A 37 -7.055 3.991 -5.479 1.00 72.02 H new ATOM 0 HA GLU A 37 -7.640 4.188 -8.390 1.00 75.44 H new ATOM 0 HB2 GLU A 37 -7.207 1.857 -7.258 1.00 23.23 H new ATOM 0 HB3 GLU A 37 -8.768 2.113 -6.504 1.00 23.23 H new ATOM 0 HG2 GLU A 37 -8.431 2.301 -9.502 1.00 32.21 H new ATOM 0 HG3 GLU A 37 -8.640 0.754 -8.707 1.00 32.21 H new ATOM 584 N ASN A 38 -9.713 4.352 -5.806 1.00 32.41 N ATOM 585 CA ASN A 38 -10.957 4.956 -5.294 1.00 33.53 C ATOM 586 C ASN A 38 -12.172 4.521 -6.116 1.00 5.45 C ATOM 587 O ASN A 38 -13.131 3.960 -5.579 1.00 72.21 O ATOM 588 CB ASN A 38 -10.860 6.491 -5.272 1.00 0.21 C ATOM 589 CG ASN A 38 -12.079 7.160 -4.656 1.00 73.45 C ATOM 590 OD1 ASN A 38 -12.122 7.412 -3.452 1.00 41.22 O ATOM 591 ND2 ASN A 38 -13.071 7.463 -5.476 1.00 24.44 N ATOM 0 H ASN A 38 -9.293 3.680 -5.164 1.00 32.41 H new ATOM 0 HA ASN A 38 -11.089 4.599 -4.273 1.00 33.53 H new ATOM 0 HB2 ASN A 38 -9.971 6.784 -4.713 1.00 0.21 H new ATOM 0 HB3 ASN A 38 -10.730 6.855 -6.291 1.00 0.21 H new ATOM 0 HD21 ASN A 38 -13.908 7.921 -5.116 1.00 24.44 H new ATOM 0 HD22 ASN A 38 -12.999 7.238 -6.468 1.00 24.44 H new ATOM 598 N GLY A 39 -12.118 4.787 -7.411 1.00 30.35 N ATOM 599 CA GLY A 39 -13.207 4.467 -8.307 1.00 2.35 C ATOM 600 C GLY A 39 -13.140 5.310 -9.560 1.00 44.32 C ATOM 601 O GLY A 39 -13.467 6.498 -9.519 1.00 11.44 O ATOM 0 H GLY A 39 -11.319 5.229 -7.865 1.00 30.35 H new ATOM 0 HA2 GLY A 39 -13.167 3.410 -8.572 1.00 2.35 H new ATOM 0 HA3 GLY A 39 -14.159 4.633 -7.803 1.00 2.35 H new ATOM 605 N ASN A 40 -12.665 4.707 -10.657 1.00 32.21 N ATOM 606 CA ASN A 40 -12.492 5.393 -11.950 1.00 74.33 C ATOM 607 C ASN A 40 -11.270 6.312 -11.913 1.00 64.33 C ATOM 608 O ASN A 40 -10.502 6.393 -12.876 1.00 24.51 O ATOM 609 CB ASN A 40 -13.750 6.189 -12.335 1.00 41.45 C ATOM 610 CG ASN A 40 -13.561 7.024 -13.588 1.00 64.33 C ATOM 611 OD1 ASN A 40 -12.862 6.630 -14.521 1.00 73.43 O ATOM 612 ND2 ASN A 40 -14.177 8.194 -13.610 1.00 63.51 N ATOM 0 H ASN A 40 -12.388 3.726 -10.676 1.00 32.21 H new ATOM 0 HA ASN A 40 -12.332 4.629 -12.711 1.00 74.33 H new ATOM 0 HB2 ASN A 40 -14.579 5.498 -12.487 1.00 41.45 H new ATOM 0 HB3 ASN A 40 -14.028 6.842 -11.508 1.00 41.45 H new ATOM 0 HD21 ASN A 40 -14.081 8.806 -14.421 1.00 63.51 H new ATOM 0 HD22 ASN A 40 -14.748 8.485 -12.816 1.00 63.51 H new ATOM 619 N TRP A 41 -11.103 6.991 -10.794 1.00 51.23 N ATOM 620 CA TRP A 41 -9.960 7.850 -10.551 1.00 70.22 C ATOM 621 C TRP A 41 -8.670 7.034 -10.513 1.00 70.04 C ATOM 622 O TRP A 41 -8.688 5.835 -10.241 1.00 64.01 O ATOM 623 CB TRP A 41 -10.187 8.596 -9.231 1.00 45.34 C ATOM 624 CG TRP A 41 -9.045 9.440 -8.757 1.00 20.51 C ATOM 625 CD1 TRP A 41 -8.551 10.568 -9.349 1.00 45.14 C ATOM 626 CD2 TRP A 41 -8.276 9.238 -7.565 1.00 54.14 C ATOM 627 NE1 TRP A 41 -7.517 11.074 -8.603 1.00 34.40 N ATOM 628 CE2 TRP A 41 -7.328 10.277 -7.503 1.00 14.43 C ATOM 629 CE3 TRP A 41 -8.291 8.274 -6.544 1.00 44.44 C ATOM 630 CZ2 TRP A 41 -6.415 10.390 -6.458 1.00 60.21 C ATOM 631 CZ3 TRP A 41 -7.380 8.387 -5.510 1.00 54.20 C ATOM 632 CH2 TRP A 41 -6.452 9.437 -5.474 1.00 52.13 C ATOM 0 H TRP A 41 -11.765 6.961 -10.019 1.00 51.23 H new ATOM 0 HA TRP A 41 -9.857 8.572 -11.361 1.00 70.22 H new ATOM 0 HB2 TRP A 41 -11.064 9.233 -9.342 1.00 45.34 H new ATOM 0 HB3 TRP A 41 -10.420 7.865 -8.457 1.00 45.34 H new ATOM 0 HD1 TRP A 41 -8.920 10.998 -10.268 1.00 45.14 H new ATOM 0 HE1 TRP A 41 -6.976 11.908 -8.830 1.00 34.40 H new ATOM 0 HE3 TRP A 41 -9.000 7.460 -6.566 1.00 44.44 H new ATOM 0 HZ2 TRP A 41 -5.702 11.201 -6.424 1.00 60.21 H new ATOM 0 HZ3 TRP A 41 -7.383 7.654 -4.717 1.00 54.20 H new ATOM 0 HH2 TRP A 41 -5.752 9.496 -4.654 1.00 52.13 H new ATOM 643 N ASP A 42 -7.564 7.681 -10.815 1.00 11.03 N ATOM 644 CA ASP A 42 -6.260 7.039 -10.749 1.00 62.40 C ATOM 645 C ASP A 42 -5.191 8.073 -10.478 1.00 35.03 C ATOM 646 O ASP A 42 -5.262 9.207 -10.964 1.00 50.22 O ATOM 647 CB ASP A 42 -5.934 6.271 -12.035 1.00 44.10 C ATOM 648 CG ASP A 42 -5.732 7.174 -13.240 1.00 64.22 C ATOM 649 OD1 ASP A 42 -6.720 7.763 -13.727 1.00 54.03 O ATOM 650 OD2 ASP A 42 -4.580 7.287 -13.719 1.00 74.34 O ATOM 0 H ASP A 42 -7.538 8.657 -11.111 1.00 11.03 H new ATOM 0 HA ASP A 42 -6.287 6.317 -9.933 1.00 62.40 H new ATOM 0 HB2 ASP A 42 -5.032 5.679 -11.878 1.00 44.10 H new ATOM 0 HB3 ASP A 42 -6.742 5.570 -12.246 1.00 44.10 H new ATOM 655 N LYS A 43 -4.205 7.680 -9.701 1.00 53.33 N ATOM 656 CA LYS A 43 -3.155 8.590 -9.284 1.00 2.25 C ATOM 657 C LYS A 43 -2.017 7.810 -8.648 1.00 74.11 C ATOM 658 O LYS A 43 -2.233 7.029 -7.718 1.00 61.50 O ATOM 659 CB LYS A 43 -3.717 9.606 -8.286 1.00 51.33 C ATOM 660 CG LYS A 43 -2.940 10.911 -8.208 1.00 73.33 C ATOM 661 CD LYS A 43 -2.934 11.633 -9.544 1.00 51.24 C ATOM 662 CE LYS A 43 -2.571 13.101 -9.389 1.00 3.02 C ATOM 663 NZ LYS A 43 -3.654 13.874 -8.721 1.00 11.21 N ATOM 0 H LYS A 43 -4.107 6.730 -9.342 1.00 53.33 H new ATOM 0 HA LYS A 43 -2.774 9.121 -10.156 1.00 2.25 H new ATOM 0 HB2 LYS A 43 -4.749 9.828 -8.556 1.00 51.33 H new ATOM 0 HB3 LYS A 43 -3.737 9.150 -7.296 1.00 51.33 H new ATOM 0 HG2 LYS A 43 -3.382 11.554 -7.447 1.00 73.33 H new ATOM 0 HG3 LYS A 43 -1.915 10.708 -7.898 1.00 73.33 H new ATOM 0 HD2 LYS A 43 -2.223 11.151 -10.215 1.00 51.24 H new ATOM 0 HD3 LYS A 43 -3.917 11.548 -10.008 1.00 51.24 H new ATOM 0 HE2 LYS A 43 -1.652 13.188 -8.809 1.00 3.02 H new ATOM 0 HE3 LYS A 43 -2.371 13.531 -10.370 1.00 3.02 H new ATOM 0 HZ1 LYS A 43 -3.499 14.891 -8.873 1.00 11.21 H new ATOM 0 HZ2 LYS A 43 -4.574 13.600 -9.122 1.00 11.21 H new ATOM 0 HZ3 LYS A 43 -3.647 13.671 -7.701 1.00 11.21 H new ATOM 677 N LEU A 44 -0.817 7.999 -9.159 1.00 45.23 N ATOM 678 CA LEU A 44 0.346 7.349 -8.590 1.00 71.41 C ATOM 679 C LEU A 44 1.089 8.335 -7.703 1.00 52.32 C ATOM 680 O LEU A 44 1.798 9.217 -8.190 1.00 53.32 O ATOM 681 CB LEU A 44 1.267 6.823 -9.691 1.00 4.15 C ATOM 682 CG LEU A 44 2.467 6.011 -9.204 1.00 11.34 C ATOM 683 CD1 LEU A 44 2.013 4.704 -8.578 1.00 2.43 C ATOM 684 CD2 LEU A 44 3.428 5.744 -10.350 1.00 14.01 C ATOM 0 H LEU A 44 -0.622 8.595 -9.964 1.00 45.23 H new ATOM 0 HA LEU A 44 0.020 6.498 -7.992 1.00 71.41 H new ATOM 0 HB2 LEU A 44 0.680 6.203 -10.368 1.00 4.15 H new ATOM 0 HB3 LEU A 44 1.633 7.670 -10.271 1.00 4.15 H new ATOM 0 HG LEU A 44 2.987 6.593 -8.443 1.00 11.34 H new ATOM 0 HD11 LEU A 44 2.883 4.142 -8.238 1.00 2.43 H new ATOM 0 HD12 LEU A 44 1.362 4.914 -7.729 1.00 2.43 H new ATOM 0 HD13 LEU A 44 1.467 4.117 -9.317 1.00 2.43 H new ATOM 0 HD21 LEU A 44 4.277 5.165 -9.986 1.00 14.01 H new ATOM 0 HD22 LEU A 44 2.915 5.184 -11.132 1.00 14.01 H new ATOM 0 HD23 LEU A 44 3.783 6.691 -10.756 1.00 14.01 H new ATOM 696 N VAL A 45 0.914 8.191 -6.402 1.00 30.25 N ATOM 697 CA VAL A 45 1.476 9.135 -5.453 1.00 34.34 C ATOM 698 C VAL A 45 2.587 8.483 -4.643 1.00 10.31 C ATOM 699 O VAL A 45 2.372 7.479 -3.963 1.00 44.11 O ATOM 700 CB VAL A 45 0.402 9.689 -4.491 1.00 53.13 C ATOM 701 CG1 VAL A 45 0.981 10.796 -3.621 1.00 44.01 C ATOM 702 CG2 VAL A 45 -0.807 10.195 -5.262 1.00 53.21 C ATOM 0 H VAL A 45 0.386 7.428 -5.978 1.00 30.25 H new ATOM 0 HA VAL A 45 1.882 9.965 -6.031 1.00 34.34 H new ATOM 0 HB VAL A 45 0.076 8.875 -3.843 1.00 53.13 H new ATOM 0 HG11 VAL A 45 0.209 11.173 -2.950 1.00 44.01 H new ATOM 0 HG12 VAL A 45 1.810 10.401 -3.034 1.00 44.01 H new ATOM 0 HG13 VAL A 45 1.339 11.607 -4.255 1.00 44.01 H new ATOM 0 HG21 VAL A 45 -1.549 10.580 -4.563 1.00 53.21 H new ATOM 0 HG22 VAL A 45 -0.499 10.991 -5.940 1.00 53.21 H new ATOM 0 HG23 VAL A 45 -1.240 9.377 -5.837 1.00 53.21 H new ATOM 712 N THR A 46 3.781 9.043 -4.743 1.00 72.40 N ATOM 713 CA THR A 46 4.907 8.572 -3.968 1.00 13.02 C ATOM 714 C THR A 46 4.741 8.964 -2.502 1.00 1.01 C ATOM 715 O THR A 46 4.465 10.124 -2.185 1.00 43.41 O ATOM 716 CB THR A 46 6.223 9.167 -4.489 1.00 40.24 C ATOM 717 OG1 THR A 46 6.143 9.371 -5.907 1.00 61.24 O ATOM 718 CG2 THR A 46 7.395 8.248 -4.178 1.00 20.23 C ATOM 0 H THR A 46 3.992 9.829 -5.358 1.00 72.40 H new ATOM 0 HA THR A 46 4.941 7.487 -4.063 1.00 13.02 H new ATOM 0 HB THR A 46 6.383 10.122 -3.989 1.00 40.24 H new ATOM 0 HG1 THR A 46 6.986 9.752 -6.231 1.00 61.24 H new ATOM 0 HG21 THR A 46 8.316 8.692 -4.557 1.00 20.23 H new ATOM 0 HG22 THR A 46 7.475 8.112 -3.099 1.00 20.23 H new ATOM 0 HG23 THR A 46 7.235 7.281 -4.654 1.00 20.23 H new ATOM 726 N PHE A 47 4.890 7.993 -1.626 1.00 10.34 N ATOM 727 CA PHE A 47 4.852 8.224 -0.190 1.00 0.01 C ATOM 728 C PHE A 47 6.093 7.642 0.449 1.00 13.31 C ATOM 729 O PHE A 47 6.989 7.178 -0.247 1.00 33.42 O ATOM 730 CB PHE A 47 3.604 7.602 0.444 1.00 3.23 C ATOM 731 CG PHE A 47 2.356 8.407 0.240 1.00 42.40 C ATOM 732 CD1 PHE A 47 2.128 9.549 0.990 1.00 54.12 C ATOM 733 CD2 PHE A 47 1.410 8.022 -0.693 1.00 13.53 C ATOM 734 CE1 PHE A 47 0.980 10.294 0.810 1.00 72.23 C ATOM 735 CE2 PHE A 47 0.260 8.764 -0.876 1.00 50.42 C ATOM 736 CZ PHE A 47 0.045 9.901 -0.124 1.00 22.41 C ATOM 0 H PHE A 47 5.041 7.018 -1.886 1.00 10.34 H new ATOM 0 HA PHE A 47 4.816 9.300 -0.019 1.00 0.01 H new ATOM 0 HB2 PHE A 47 3.455 6.606 0.028 1.00 3.23 H new ATOM 0 HB3 PHE A 47 3.775 7.478 1.513 1.00 3.23 H new ATOM 0 HD1 PHE A 47 2.857 9.860 1.724 1.00 54.12 H new ATOM 0 HD2 PHE A 47 1.572 7.133 -1.284 1.00 13.53 H new ATOM 0 HE1 PHE A 47 0.814 11.183 1.400 1.00 72.23 H new ATOM 0 HE2 PHE A 47 -0.471 8.454 -1.608 1.00 50.42 H new ATOM 0 HZ PHE A 47 -0.854 10.482 -0.267 1.00 22.41 H new ATOM 746 N ARG A 48 6.148 7.672 1.764 1.00 72.15 N ATOM 747 CA ARG A 48 7.269 7.115 2.489 1.00 15.13 C ATOM 748 C ARG A 48 6.867 5.781 3.096 1.00 63.53 C ATOM 749 O ARG A 48 5.680 5.493 3.240 1.00 3.22 O ATOM 750 CB ARG A 48 7.716 8.079 3.581 1.00 22.04 C ATOM 751 CG ARG A 48 7.861 9.512 3.089 1.00 42.43 C ATOM 752 CD ARG A 48 8.046 10.487 4.237 1.00 60.13 C ATOM 753 NE ARG A 48 7.854 11.870 3.807 1.00 30.01 N ATOM 754 CZ ARG A 48 6.948 12.694 4.337 1.00 4.15 C ATOM 755 NH1 ARG A 48 6.219 12.301 5.376 1.00 23.15 N ATOM 756 NH2 ARG A 48 6.787 13.918 3.843 1.00 42.53 N ATOM 0 H ARG A 48 5.424 8.079 2.355 1.00 72.15 H new ATOM 0 HA ARG A 48 8.101 6.959 1.803 1.00 15.13 H new ATOM 0 HB2 ARG A 48 6.995 8.053 4.398 1.00 22.04 H new ATOM 0 HB3 ARG A 48 8.670 7.742 3.987 1.00 22.04 H new ATOM 0 HG2 ARG A 48 8.714 9.580 2.414 1.00 42.43 H new ATOM 0 HG3 ARG A 48 6.977 9.790 2.515 1.00 42.43 H new ATOM 0 HD2 ARG A 48 7.339 10.252 5.032 1.00 60.13 H new ATOM 0 HD3 ARG A 48 9.046 10.371 4.655 1.00 60.13 H new ATOM 0 HE ARG A 48 8.447 12.227 3.058 1.00 30.01 H new ATOM 0 HH11 ARG A 48 6.352 11.369 5.769 1.00 23.15 H new ATOM 0 HH12 ARG A 48 5.527 12.931 5.781 1.00 23.15 H new ATOM 0 HH21 ARG A 48 7.357 14.230 3.057 1.00 42.53 H new ATOM 0 HH22 ARG A 48 6.094 14.545 4.250 1.00 42.53 H new ATOM 770 N LEU A 49 7.852 4.989 3.467 1.00 2.22 N ATOM 771 CA LEU A 49 7.606 3.647 3.974 1.00 30.12 C ATOM 772 C LEU A 49 7.028 3.706 5.377 1.00 51.32 C ATOM 773 O LEU A 49 6.199 2.880 5.755 1.00 71.54 O ATOM 774 CB LEU A 49 8.895 2.821 3.965 1.00 25.42 C ATOM 775 CG LEU A 49 9.495 2.560 2.580 1.00 71.51 C ATOM 776 CD1 LEU A 49 10.775 1.749 2.695 1.00 1.01 C ATOM 777 CD2 LEU A 49 8.489 1.846 1.691 1.00 53.02 C ATOM 0 H LEU A 49 8.837 5.250 3.428 1.00 2.22 H new ATOM 0 HA LEU A 49 6.882 3.163 3.319 1.00 30.12 H new ATOM 0 HB2 LEU A 49 9.639 3.333 4.575 1.00 25.42 H new ATOM 0 HB3 LEU A 49 8.696 1.862 4.443 1.00 25.42 H new ATOM 0 HG LEU A 49 9.738 3.520 2.124 1.00 71.51 H new ATOM 0 HD11 LEU A 49 11.186 1.574 1.701 1.00 1.01 H new ATOM 0 HD12 LEU A 49 11.500 2.297 3.296 1.00 1.01 H new ATOM 0 HD13 LEU A 49 10.558 0.793 3.171 1.00 1.01 H new ATOM 0 HD21 LEU A 49 8.931 1.668 0.711 1.00 53.02 H new ATOM 0 HD22 LEU A 49 8.215 0.893 2.144 1.00 53.02 H new ATOM 0 HD23 LEU A 49 7.598 2.464 1.580 1.00 53.02 H new ATOM 789 N SER A 50 7.460 4.702 6.136 1.00 70.43 N ATOM 790 CA SER A 50 6.967 4.925 7.466 1.00 51.22 C ATOM 791 C SER A 50 5.551 5.495 7.425 1.00 14.53 C ATOM 792 O SER A 50 4.823 5.470 8.417 1.00 12.13 O ATOM 793 CB SER A 50 7.914 5.884 8.148 1.00 41.10 C ATOM 794 OG SER A 50 9.267 5.532 7.886 1.00 54.23 O ATOM 0 H SER A 50 8.165 5.375 5.836 1.00 70.43 H new ATOM 0 HA SER A 50 6.920 3.986 8.018 1.00 51.22 H new ATOM 0 HB2 SER A 50 7.724 6.899 7.799 1.00 41.10 H new ATOM 0 HB3 SER A 50 7.734 5.877 9.223 1.00 41.10 H new ATOM 0 HG SER A 50 9.863 6.167 8.336 1.00 54.23 H new ATOM 800 N GLU A 51 5.160 5.988 6.257 1.00 50.43 N ATOM 801 CA GLU A 51 3.838 6.584 6.086 1.00 12.31 C ATOM 802 C GLU A 51 2.808 5.541 5.662 1.00 51.14 C ATOM 803 O GLU A 51 1.606 5.817 5.634 1.00 70.21 O ATOM 804 CB GLU A 51 3.893 7.709 5.045 1.00 74.04 C ATOM 805 CG GLU A 51 4.086 9.102 5.633 1.00 45.35 C ATOM 806 CD GLU A 51 5.320 9.233 6.508 1.00 24.01 C ATOM 807 OE1 GLU A 51 6.353 8.615 6.191 1.00 3.31 O ATOM 808 OE2 GLU A 51 5.272 9.993 7.493 1.00 13.42 O ATOM 0 H GLU A 51 5.736 5.988 5.415 1.00 50.43 H new ATOM 0 HA GLU A 51 3.533 6.995 7.048 1.00 12.31 H new ATOM 0 HB2 GLU A 51 4.708 7.505 4.350 1.00 74.04 H new ATOM 0 HB3 GLU A 51 2.970 7.697 4.466 1.00 74.04 H new ATOM 0 HG2 GLU A 51 4.151 9.824 4.819 1.00 45.35 H new ATOM 0 HG3 GLU A 51 3.206 9.363 6.221 1.00 45.35 H new ATOM 815 N LEU A 52 3.280 4.344 5.343 1.00 2.14 N ATOM 816 CA LEU A 52 2.418 3.296 4.821 1.00 53.12 C ATOM 817 C LEU A 52 2.368 2.098 5.761 1.00 44.03 C ATOM 818 O LEU A 52 3.269 1.900 6.579 1.00 22.43 O ATOM 819 CB LEU A 52 2.932 2.841 3.457 1.00 74.51 C ATOM 820 CG LEU A 52 2.983 3.925 2.378 1.00 73.15 C ATOM 821 CD1 LEU A 52 3.676 3.392 1.133 1.00 53.45 C ATOM 822 CD2 LEU A 52 1.578 4.411 2.044 1.00 43.21 C ATOM 0 H LEU A 52 4.259 4.075 5.438 1.00 2.14 H new ATOM 0 HA LEU A 52 1.412 3.704 4.728 1.00 53.12 H new ATOM 0 HB2 LEU A 52 3.934 2.431 3.584 1.00 74.51 H new ATOM 0 HB3 LEU A 52 2.298 2.029 3.102 1.00 74.51 H new ATOM 0 HG LEU A 52 3.555 4.771 2.758 1.00 73.15 H new ATOM 0 HD11 LEU A 52 3.707 4.172 0.372 1.00 53.45 H new ATOM 0 HD12 LEU A 52 4.693 3.090 1.384 1.00 53.45 H new ATOM 0 HD13 LEU A 52 3.126 2.532 0.750 1.00 53.45 H new ATOM 0 HD21 LEU A 52 1.633 5.182 1.275 1.00 43.21 H new ATOM 0 HD22 LEU A 52 0.981 3.575 1.678 1.00 43.21 H new ATOM 0 HD23 LEU A 52 1.114 4.824 2.939 1.00 43.21 H new ATOM 834 N GLU A 53 1.305 1.318 5.644 1.00 74.01 N ATOM 835 CA GLU A 53 1.201 0.042 6.338 1.00 62.03 C ATOM 836 C GLU A 53 0.784 -1.030 5.345 1.00 20.15 C ATOM 837 O GLU A 53 0.071 -0.741 4.379 1.00 21.21 O ATOM 838 CB GLU A 53 0.179 0.111 7.479 1.00 44.53 C ATOM 839 CG GLU A 53 -1.258 0.270 7.001 1.00 21.23 C ATOM 840 CD GLU A 53 -2.265 0.239 8.130 1.00 22.43 C ATOM 841 OE1 GLU A 53 -2.366 1.242 8.869 1.00 1.44 O ATOM 842 OE2 GLU A 53 -2.979 -0.775 8.271 1.00 1.35 O ATOM 0 H GLU A 53 0.494 1.548 5.069 1.00 74.01 H new ATOM 0 HA GLU A 53 2.173 -0.199 6.769 1.00 62.03 H new ATOM 0 HB2 GLU A 53 0.255 -0.796 8.079 1.00 44.53 H new ATOM 0 HB3 GLU A 53 0.431 0.947 8.131 1.00 44.53 H new ATOM 0 HG2 GLU A 53 -1.353 1.213 6.463 1.00 21.23 H new ATOM 0 HG3 GLU A 53 -1.490 -0.526 6.293 1.00 21.23 H new ATOM 849 N ALA A 54 1.233 -2.252 5.564 1.00 10.14 N ATOM 850 CA ALA A 54 0.829 -3.360 4.722 1.00 45.03 C ATOM 851 C ALA A 54 -0.603 -3.764 5.042 1.00 24.52 C ATOM 852 O ALA A 54 -0.932 -4.088 6.189 1.00 45.02 O ATOM 853 CB ALA A 54 1.773 -4.543 4.894 1.00 71.35 C ATOM 0 H ALA A 54 1.876 -2.501 6.316 1.00 10.14 H new ATOM 0 HA ALA A 54 0.878 -3.041 3.681 1.00 45.03 H new ATOM 0 HB1 ALA A 54 1.450 -5.363 4.252 1.00 71.35 H new ATOM 0 HB2 ALA A 54 2.785 -4.244 4.619 1.00 71.35 H new ATOM 0 HB3 ALA A 54 1.761 -4.870 5.934 1.00 71.35 H new ATOM 859 N VAL A 55 -1.462 -3.716 4.037 1.00 72.41 N ATOM 860 CA VAL A 55 -2.844 -4.124 4.211 1.00 13.33 C ATOM 861 C VAL A 55 -2.916 -5.645 4.250 1.00 24.10 C ATOM 862 O VAL A 55 -1.934 -6.340 3.976 1.00 12.43 O ATOM 863 CB VAL A 55 -3.761 -3.574 3.086 1.00 53.10 C ATOM 864 CG1 VAL A 55 -5.235 -3.763 3.416 1.00 31.14 C ATOM 865 CG2 VAL A 55 -3.477 -2.104 2.827 1.00 71.10 C ATOM 0 H VAL A 55 -1.227 -3.400 3.096 1.00 72.41 H new ATOM 0 HA VAL A 55 -3.205 -3.707 5.151 1.00 13.33 H new ATOM 0 HB VAL A 55 -3.538 -4.145 2.185 1.00 53.10 H new ATOM 0 HG11 VAL A 55 -5.844 -3.365 2.604 1.00 31.14 H new ATOM 0 HG12 VAL A 55 -5.447 -4.825 3.541 1.00 31.14 H new ATOM 0 HG13 VAL A 55 -5.472 -3.234 4.339 1.00 31.14 H new ATOM 0 HG21 VAL A 55 -4.132 -1.741 2.035 1.00 71.10 H new ATOM 0 HG22 VAL A 55 -3.658 -1.533 3.737 1.00 71.10 H new ATOM 0 HG23 VAL A 55 -2.437 -1.982 2.523 1.00 71.10 H new