USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 515 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 37 SER OG : rot 180:sc= -0.178 USER MOD Set 1.2: A 39 HIS : no HD1:sc= -2.24 K(o=-2.4,f=-5.5) USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.00733) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.51 (180deg=0.508) USER MOD Single : A 8 GLN : amide:sc= -0.0329 K(o=-0.033,f=-1.6) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 170:sc= -1.01 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 26 SER OG : rot 83:sc= 0.00405 USER MOD Single : A 27 ASN : amide:sc=-0.00459 X(o=-0.0046,f=0) USER MOD Single : A 30 SER OG : rot 83:sc= 1.23 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.248 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -11:sc= 0.217! USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= -2.95! USER MOD Single : A 52 ASN : amide:sc= 0.282 K(o=0.28,f=-3.4!) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0473) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.263 0.202 -0.494 1.00 51.52 N ATOM 2 CA MET A 1 2.287 0.365 -1.520 1.00 32.31 C ATOM 3 C MET A 1 3.329 -0.745 -1.428 1.00 22.22 C ATOM 4 O MET A 1 3.829 -1.053 -0.345 1.00 1.10 O ATOM 5 CB MET A 1 2.964 1.729 -1.383 1.00 44.41 C ATOM 6 CG MET A 1 2.041 2.899 -1.682 1.00 12.23 C ATOM 7 SD MET A 1 1.790 3.152 -3.449 1.00 51.52 S ATOM 8 CE MET A 1 0.103 2.581 -3.637 1.00 71.41 C ATOM 0 H1 MET A 1 0.555 0.959 -0.586 1.00 51.52 H new ATOM 0 H2 MET A 1 0.799 -0.722 -0.610 1.00 51.52 H new ATOM 0 H3 MET A 1 1.703 0.253 0.447 1.00 51.52 H new ATOM 0 HA MET A 1 1.803 0.305 -2.495 1.00 32.31 H new ATOM 0 HB2 MET A 1 3.352 1.833 -0.370 1.00 44.41 H new ATOM 0 HB3 MET A 1 3.819 1.770 -2.057 1.00 44.41 H new ATOM 0 HG2 MET A 1 1.077 2.728 -1.203 1.00 12.23 H new ATOM 0 HG3 MET A 1 2.458 3.806 -1.245 1.00 12.23 H new ATOM 0 HE1 MET A 1 -0.253 2.821 -4.639 1.00 71.41 H new ATOM 0 HE2 MET A 1 0.065 1.502 -3.488 1.00 71.41 H new ATOM 0 HE3 MET A 1 -0.532 3.072 -2.899 1.00 71.41 H new ATOM 18 N LEU A 2 3.653 -1.343 -2.569 1.00 54.12 N ATOM 19 CA LEU A 2 4.636 -2.419 -2.617 1.00 70.42 C ATOM 20 C LEU A 2 6.034 -1.869 -2.879 1.00 1.41 C ATOM 21 O LEU A 2 6.197 -0.862 -3.569 1.00 62.53 O ATOM 22 CB LEU A 2 4.262 -3.430 -3.703 1.00 22.21 C ATOM 23 CG LEU A 2 4.633 -4.886 -3.420 1.00 71.54 C ATOM 24 CD1 LEU A 2 4.022 -5.348 -2.106 1.00 51.43 C ATOM 25 CD2 LEU A 2 4.182 -5.783 -4.564 1.00 72.12 C ATOM 0 H LEU A 2 3.249 -1.101 -3.474 1.00 54.12 H new ATOM 0 HA LEU A 2 4.638 -2.919 -1.648 1.00 70.42 H new ATOM 0 HB2 LEU A 2 3.186 -3.375 -3.867 1.00 22.21 H new ATOM 0 HB3 LEU A 2 4.742 -3.128 -4.634 1.00 22.21 H new ATOM 0 HG LEU A 2 5.718 -4.954 -3.336 1.00 71.54 H new ATOM 0 HD11 LEU A 2 4.297 -6.387 -1.922 1.00 51.43 H new ATOM 0 HD12 LEU A 2 4.394 -4.725 -1.293 1.00 51.43 H new ATOM 0 HD13 LEU A 2 2.937 -5.264 -2.160 1.00 51.43 H new ATOM 0 HD21 LEU A 2 4.454 -6.816 -4.346 1.00 72.12 H new ATOM 0 HD22 LEU A 2 3.101 -5.709 -4.679 1.00 72.12 H new ATOM 0 HD23 LEU A 2 4.668 -5.467 -5.487 1.00 72.12 H new ATOM 37 N VAL A 3 7.041 -2.536 -2.324 1.00 70.12 N ATOM 38 CA VAL A 3 8.426 -2.116 -2.500 1.00 51.41 C ATOM 39 C VAL A 3 9.348 -3.318 -2.670 1.00 52.24 C ATOM 40 O VAL A 3 9.445 -4.168 -1.785 1.00 64.11 O ATOM 41 CB VAL A 3 8.913 -1.274 -1.306 1.00 20.14 C ATOM 42 CG1 VAL A 3 10.262 -0.642 -1.612 1.00 63.32 C ATOM 43 CG2 VAL A 3 7.886 -0.210 -0.950 1.00 34.34 C ATOM 0 H VAL A 3 6.923 -3.370 -1.748 1.00 70.12 H new ATOM 0 HA VAL A 3 8.459 -1.506 -3.403 1.00 51.41 H new ATOM 0 HB VAL A 3 9.034 -1.932 -0.446 1.00 20.14 H new ATOM 0 HG11 VAL A 3 10.589 -0.051 -0.757 1.00 63.32 H new ATOM 0 HG12 VAL A 3 10.993 -1.425 -1.814 1.00 63.32 H new ATOM 0 HG13 VAL A 3 10.172 0.004 -2.486 1.00 63.32 H new ATOM 0 HG21 VAL A 3 8.247 0.375 -0.104 1.00 34.34 H new ATOM 0 HG22 VAL A 3 7.731 0.447 -1.806 1.00 34.34 H new ATOM 0 HG23 VAL A 3 6.943 -0.689 -0.684 1.00 34.34 H new ATOM 53 N ILE A 4 10.023 -3.382 -3.813 1.00 54.32 N ATOM 54 CA ILE A 4 10.938 -4.479 -4.099 1.00 23.33 C ATOM 55 C ILE A 4 12.360 -4.135 -3.667 1.00 71.44 C ATOM 56 O ILE A 4 13.111 -3.505 -4.412 1.00 12.11 O ATOM 57 CB ILE A 4 10.940 -4.835 -5.597 1.00 64.41 C ATOM 58 CG1 ILE A 4 9.612 -5.485 -5.991 1.00 63.20 C ATOM 59 CG2 ILE A 4 12.105 -5.760 -5.920 1.00 51.52 C ATOM 60 CD1 ILE A 4 9.486 -6.924 -5.541 1.00 5.23 C ATOM 0 H ILE A 4 9.953 -2.687 -4.556 1.00 54.32 H new ATOM 0 HA ILE A 4 10.586 -5.340 -3.531 1.00 23.33 H new ATOM 0 HB ILE A 4 11.059 -3.917 -6.173 1.00 64.41 H new ATOM 0 HG12 ILE A 4 8.793 -4.906 -5.564 1.00 63.20 H new ATOM 0 HG13 ILE A 4 9.503 -5.441 -7.075 1.00 63.20 H new ATOM 0 HG21 ILE A 4 12.093 -6.003 -6.983 1.00 51.52 H new ATOM 0 HG22 ILE A 4 13.043 -5.264 -5.672 1.00 51.52 H new ATOM 0 HG23 ILE A 4 12.014 -6.677 -5.337 1.00 51.52 H new ATOM 0 HD11 ILE A 4 8.520 -7.320 -5.855 1.00 5.23 H new ATOM 0 HD12 ILE A 4 10.284 -7.516 -5.989 1.00 5.23 H new ATOM 0 HD13 ILE A 4 9.563 -6.974 -4.455 1.00 5.23 H new ATOM 72 N VAL A 5 12.724 -4.556 -2.460 1.00 43.31 N ATOM 73 CA VAL A 5 14.057 -4.295 -1.930 1.00 22.21 C ATOM 74 C VAL A 5 15.041 -5.378 -2.359 1.00 73.20 C ATOM 75 O VAL A 5 14.935 -6.530 -1.937 1.00 12.22 O ATOM 76 CB VAL A 5 14.043 -4.210 -0.392 1.00 71.31 C ATOM 77 CG1 VAL A 5 15.446 -3.967 0.143 1.00 70.34 C ATOM 78 CG2 VAL A 5 13.090 -3.119 0.072 1.00 61.00 C ATOM 0 H VAL A 5 12.115 -5.079 -1.831 1.00 43.31 H new ATOM 0 HA VAL A 5 14.377 -3.336 -2.337 1.00 22.21 H new ATOM 0 HB VAL A 5 13.690 -5.162 0.004 1.00 71.31 H new ATOM 0 HG11 VAL A 5 15.416 -3.910 1.231 1.00 70.34 H new ATOM 0 HG12 VAL A 5 16.098 -4.787 -0.159 1.00 70.34 H new ATOM 0 HG13 VAL A 5 15.831 -3.030 -0.259 1.00 70.34 H new ATOM 0 HG21 VAL A 5 13.092 -3.073 1.161 1.00 61.00 H new ATOM 0 HG22 VAL A 5 13.411 -2.159 -0.333 1.00 61.00 H new ATOM 0 HG23 VAL A 5 12.083 -3.342 -0.279 1.00 61.00 H new ATOM 88 N ARG A 6 15.998 -5.001 -3.200 1.00 52.14 N ATOM 89 CA ARG A 6 17.001 -5.940 -3.688 1.00 34.33 C ATOM 90 C ARG A 6 18.199 -5.993 -2.745 1.00 63.50 C ATOM 91 O ARG A 6 18.880 -4.989 -2.532 1.00 30.33 O ATOM 92 CB ARG A 6 17.460 -5.546 -5.092 1.00 40.45 C ATOM 93 CG ARG A 6 17.509 -6.711 -6.067 1.00 55.33 C ATOM 94 CD ARG A 6 16.671 -6.436 -7.306 1.00 50.33 C ATOM 95 NE ARG A 6 17.483 -5.950 -8.419 1.00 13.21 N ATOM 96 CZ ARG A 6 18.266 -6.732 -9.153 1.00 41.45 C ATOM 97 NH1 ARG A 6 18.343 -8.030 -8.895 1.00 12.32 N ATOM 98 NH2 ARG A 6 18.974 -6.215 -10.150 1.00 24.24 N ATOM 0 H ARG A 6 16.100 -4.051 -3.558 1.00 52.14 H new ATOM 0 HA ARG A 6 16.547 -6.930 -3.727 1.00 34.33 H new ATOM 0 HB2 ARG A 6 16.787 -4.783 -5.484 1.00 40.45 H new ATOM 0 HB3 ARG A 6 18.450 -5.095 -5.028 1.00 40.45 H new ATOM 0 HG2 ARG A 6 18.542 -6.899 -6.359 1.00 55.33 H new ATOM 0 HG3 ARG A 6 17.148 -7.614 -5.575 1.00 55.33 H new ATOM 0 HD2 ARG A 6 16.155 -7.349 -7.605 1.00 50.33 H new ATOM 0 HD3 ARG A 6 15.903 -5.699 -7.068 1.00 50.33 H new ATOM 0 HE ARG A 6 17.447 -4.956 -8.645 1.00 13.21 H new ATOM 0 HH11 ARG A 6 17.800 -8.431 -8.131 1.00 12.32 H new ATOM 0 HH12 ARG A 6 18.945 -8.628 -9.461 1.00 12.32 H new ATOM 0 HH21 ARG A 6 18.917 -5.217 -10.352 1.00 24.24 H new ATOM 0 HH22 ARG A 6 19.575 -6.816 -10.714 1.00 24.24 H new ATOM 112 N LEU A 7 18.452 -7.170 -2.183 1.00 75.41 N ATOM 113 CA LEU A 7 19.568 -7.355 -1.262 1.00 71.14 C ATOM 114 C LEU A 7 20.759 -7.991 -1.972 1.00 22.13 C ATOM 115 O LEU A 7 20.598 -8.916 -2.767 1.00 31.53 O ATOM 116 CB LEU A 7 19.140 -8.225 -0.079 1.00 63.32 C ATOM 117 CG LEU A 7 18.337 -7.522 1.015 1.00 34.12 C ATOM 118 CD1 LEU A 7 19.140 -6.379 1.616 1.00 34.13 C ATOM 119 CD2 LEU A 7 17.013 -7.014 0.462 1.00 44.52 C ATOM 0 H LEU A 7 17.899 -8.011 -2.349 1.00 75.41 H new ATOM 0 HA LEU A 7 19.869 -6.375 -0.893 1.00 71.14 H new ATOM 0 HB2 LEU A 7 18.546 -9.056 -0.461 1.00 63.32 H new ATOM 0 HB3 LEU A 7 20.034 -8.654 0.373 1.00 63.32 H new ATOM 0 HG LEU A 7 18.125 -8.244 1.804 1.00 34.12 H new ATOM 0 HD11 LEU A 7 18.552 -5.890 2.393 1.00 34.13 H new ATOM 0 HD12 LEU A 7 20.061 -6.770 2.049 1.00 34.13 H new ATOM 0 HD13 LEU A 7 19.384 -5.657 0.837 1.00 34.13 H new ATOM 0 HD21 LEU A 7 16.455 -6.516 1.255 1.00 44.52 H new ATOM 0 HD22 LEU A 7 17.203 -6.308 -0.346 1.00 44.52 H new ATOM 0 HD23 LEU A 7 16.432 -7.854 0.081 1.00 44.52 H new ATOM 131 N GLN A 8 21.954 -7.489 -1.676 1.00 70.33 N ATOM 132 CA GLN A 8 23.172 -8.010 -2.285 1.00 63.01 C ATOM 133 C GLN A 8 23.022 -9.489 -2.625 1.00 73.12 C ATOM 134 O GLN A 8 23.269 -9.904 -3.758 1.00 21.04 O ATOM 135 CB GLN A 8 24.363 -7.809 -1.346 1.00 30.20 C ATOM 136 CG GLN A 8 25.684 -7.616 -2.072 1.00 5.41 C ATOM 137 CD GLN A 8 25.806 -6.244 -2.707 1.00 22.33 C ATOM 138 OE1 GLN A 8 24.862 -5.454 -2.691 1.00 71.21 O ATOM 139 NE2 GLN A 8 26.973 -5.954 -3.270 1.00 2.10 N ATOM 0 H GLN A 8 22.104 -6.723 -1.019 1.00 70.33 H new ATOM 0 HA GLN A 8 23.349 -7.460 -3.209 1.00 63.01 H new ATOM 0 HB2 GLN A 8 24.175 -6.941 -0.715 1.00 30.20 H new ATOM 0 HB3 GLN A 8 24.444 -8.672 -0.685 1.00 30.20 H new ATOM 0 HG2 GLN A 8 26.505 -7.761 -1.370 1.00 5.41 H new ATOM 0 HG3 GLN A 8 25.785 -8.380 -2.843 1.00 5.41 H new ATOM 0 HE21 GLN A 8 27.728 -6.639 -3.260 1.00 2.10 H new ATOM 0 HE22 GLN A 8 27.114 -5.046 -3.712 1.00 2.10 H new ATOM 148 N ASP A 9 22.615 -10.280 -1.638 1.00 42.50 N ATOM 149 CA ASP A 9 22.431 -11.713 -1.833 1.00 11.02 C ATOM 150 C ASP A 9 21.374 -11.985 -2.898 1.00 75.12 C ATOM 151 O ASP A 9 21.662 -12.588 -3.931 1.00 74.43 O ATOM 152 CB ASP A 9 22.030 -12.381 -0.516 1.00 41.24 C ATOM 153 CG ASP A 9 23.224 -12.917 0.248 1.00 65.11 C ATOM 154 OD1 ASP A 9 23.630 -14.069 -0.016 1.00 13.31 O ATOM 155 OD2 ASP A 9 23.755 -12.185 1.109 1.00 14.12 O ATOM 0 H ASP A 9 22.406 -9.953 -0.695 1.00 42.50 H new ATOM 0 HA ASP A 9 23.378 -12.133 -2.171 1.00 11.02 H new ATOM 0 HB2 ASP A 9 21.498 -11.661 0.106 1.00 41.24 H new ATOM 0 HB3 ASP A 9 21.338 -13.197 -0.722 1.00 41.24 H new ATOM 160 N GLN A 10 20.150 -11.537 -2.638 1.00 14.10 N ATOM 161 CA GLN A 10 19.049 -11.734 -3.574 1.00 63.23 C ATOM 162 C GLN A 10 17.970 -10.675 -3.377 1.00 10.12 C ATOM 163 O GLN A 10 18.043 -9.863 -2.454 1.00 11.40 O ATOM 164 CB GLN A 10 18.448 -13.130 -3.401 1.00 64.10 C ATOM 165 CG GLN A 10 19.296 -14.055 -2.542 1.00 53.11 C ATOM 166 CD GLN A 10 18.658 -15.416 -2.346 1.00 20.22 C ATOM 167 OE1 GLN A 10 18.385 -15.830 -1.219 1.00 12.24 O ATOM 168 NE2 GLN A 10 18.417 -16.121 -3.445 1.00 31.31 N ATOM 0 H GLN A 10 19.896 -11.035 -1.787 1.00 14.10 H new ATOM 0 HA GLN A 10 19.444 -11.639 -4.585 1.00 63.23 H new ATOM 0 HB2 GLN A 10 17.458 -13.038 -2.953 1.00 64.10 H new ATOM 0 HB3 GLN A 10 18.313 -13.583 -4.383 1.00 64.10 H new ATOM 0 HG2 GLN A 10 20.274 -14.180 -3.006 1.00 53.11 H new ATOM 0 HG3 GLN A 10 19.461 -13.592 -1.569 1.00 53.11 H new ATOM 0 HE21 GLN A 10 18.659 -15.739 -4.359 1.00 31.31 H new ATOM 0 HE22 GLN A 10 17.989 -17.044 -3.375 1.00 31.31 H new ATOM 177 N THR A 11 16.968 -10.688 -4.250 1.00 74.31 N ATOM 178 CA THR A 11 15.874 -9.728 -4.173 1.00 32.31 C ATOM 179 C THR A 11 14.776 -10.219 -3.236 1.00 23.50 C ATOM 180 O THR A 11 14.577 -11.424 -3.075 1.00 33.24 O ATOM 181 CB THR A 11 15.265 -9.458 -5.562 1.00 14.04 C ATOM 182 OG1 THR A 11 16.290 -9.486 -6.560 1.00 62.05 O ATOM 183 CG2 THR A 11 14.559 -8.111 -5.590 1.00 12.41 C ATOM 0 H THR A 11 16.891 -11.353 -5.019 1.00 74.31 H new ATOM 0 HA THR A 11 16.294 -8.801 -3.782 1.00 32.31 H new ATOM 0 HB THR A 11 14.533 -10.238 -5.772 1.00 14.04 H new ATOM 0 HG1 THR A 11 15.880 -9.475 -7.450 1.00 62.05 H new ATOM 0 HG21 THR A 11 14.137 -7.942 -6.581 1.00 12.41 H new ATOM 0 HG22 THR A 11 13.760 -8.104 -4.849 1.00 12.41 H new ATOM 0 HG23 THR A 11 15.274 -7.321 -5.361 1.00 12.41 H new ATOM 191 N LEU A 12 14.066 -9.280 -2.621 1.00 23.44 N ATOM 192 CA LEU A 12 12.987 -9.618 -1.699 1.00 71.01 C ATOM 193 C LEU A 12 11.981 -8.476 -1.597 1.00 2.24 C ATOM 194 O LEU A 12 12.321 -7.347 -1.242 1.00 41.34 O ATOM 195 CB LEU A 12 13.553 -9.940 -0.315 1.00 43.21 C ATOM 196 CG LEU A 12 12.876 -11.086 0.437 1.00 23.03 C ATOM 197 CD1 LEU A 12 11.435 -10.730 0.767 1.00 21.25 C ATOM 198 CD2 LEU A 12 12.937 -12.369 -0.379 1.00 22.13 C ATOM 0 H LEU A 12 14.218 -8.279 -2.744 1.00 23.44 H new ATOM 0 HA LEU A 12 12.473 -10.497 -2.087 1.00 71.01 H new ATOM 0 HB2 LEU A 12 14.611 -10.178 -0.424 1.00 43.21 H new ATOM 0 HB3 LEU A 12 13.490 -9.042 0.299 1.00 43.21 H new ATOM 0 HG LEU A 12 13.412 -11.248 1.372 1.00 23.03 H new ATOM 0 HD11 LEU A 12 10.969 -11.558 1.302 1.00 21.25 H new ATOM 0 HD12 LEU A 12 11.415 -9.837 1.391 1.00 21.25 H new ATOM 0 HD13 LEU A 12 10.887 -10.540 -0.156 1.00 21.25 H new ATOM 0 HD21 LEU A 12 12.450 -13.174 0.172 1.00 22.13 H new ATOM 0 HD22 LEU A 12 12.426 -12.220 -1.330 1.00 22.13 H new ATOM 0 HD23 LEU A 12 13.978 -12.634 -0.564 1.00 22.13 H new ATOM 210 N PRO A 13 10.712 -8.774 -1.912 1.00 21.34 N ATOM 211 CA PRO A 13 9.630 -7.786 -1.860 1.00 22.52 C ATOM 212 C PRO A 13 9.283 -7.381 -0.431 1.00 45.24 C ATOM 213 O PRO A 13 9.652 -8.063 0.525 1.00 0.21 O ATOM 214 CB PRO A 13 8.452 -8.516 -2.509 1.00 70.54 C ATOM 215 CG PRO A 13 8.739 -9.963 -2.297 1.00 14.25 C ATOM 216 CD PRO A 13 10.235 -10.099 -2.342 1.00 24.51 C ATOM 0 HA PRO A 13 9.902 -6.857 -2.361 1.00 22.52 H new ATOM 0 HB2 PRO A 13 7.506 -8.229 -2.049 1.00 70.54 H new ATOM 0 HB3 PRO A 13 8.376 -8.279 -3.570 1.00 70.54 H new ATOM 0 HG2 PRO A 13 8.345 -10.303 -1.339 1.00 14.25 H new ATOM 0 HG3 PRO A 13 8.268 -10.571 -3.069 1.00 14.25 H new ATOM 0 HD2 PRO A 13 10.587 -10.888 -1.677 1.00 24.51 H new ATOM 0 HD3 PRO A 13 10.586 -10.347 -3.344 1.00 24.51 H new ATOM 224 N PHE A 14 8.572 -6.267 -0.294 1.00 2.22 N ATOM 225 CA PHE A 14 8.176 -5.770 1.019 1.00 70.02 C ATOM 226 C PHE A 14 6.868 -4.988 0.932 1.00 24.34 C ATOM 227 O PHE A 14 6.667 -4.195 0.013 1.00 24.33 O ATOM 228 CB PHE A 14 9.276 -4.883 1.605 1.00 10.32 C ATOM 229 CG PHE A 14 10.433 -5.656 2.170 1.00 60.44 C ATOM 230 CD1 PHE A 14 10.369 -6.192 3.446 1.00 54.11 C ATOM 231 CD2 PHE A 14 11.585 -5.849 1.424 1.00 53.42 C ATOM 232 CE1 PHE A 14 11.432 -6.903 3.968 1.00 63.51 C ATOM 233 CE2 PHE A 14 12.652 -6.560 1.940 1.00 15.23 C ATOM 234 CZ PHE A 14 12.575 -7.089 3.214 1.00 54.32 C ATOM 0 H PHE A 14 8.258 -5.691 -1.075 1.00 2.22 H new ATOM 0 HA PHE A 14 8.023 -6.628 1.674 1.00 70.02 H new ATOM 0 HB2 PHE A 14 9.643 -4.212 0.828 1.00 10.32 H new ATOM 0 HB3 PHE A 14 8.849 -4.259 2.390 1.00 10.32 H new ATOM 0 HD1 PHE A 14 9.478 -6.052 4.039 1.00 54.11 H new ATOM 0 HD2 PHE A 14 11.650 -5.439 0.427 1.00 53.42 H new ATOM 0 HE1 PHE A 14 11.370 -7.313 4.965 1.00 63.51 H new ATOM 0 HE2 PHE A 14 13.544 -6.702 1.348 1.00 15.23 H new ATOM 0 HZ PHE A 14 13.406 -7.647 3.620 1.00 54.32 H new ATOM 244 N GLU A 15 5.983 -5.219 1.897 1.00 72.43 N ATOM 245 CA GLU A 15 4.694 -4.538 1.929 1.00 60.14 C ATOM 246 C GLU A 15 4.780 -3.249 2.741 1.00 61.02 C ATOM 247 O GLU A 15 5.115 -3.270 3.926 1.00 44.41 O ATOM 248 CB GLU A 15 3.622 -5.456 2.520 1.00 54.54 C ATOM 249 CG GLU A 15 2.279 -4.772 2.720 1.00 23.34 C ATOM 250 CD GLU A 15 1.145 -5.760 2.912 1.00 12.02 C ATOM 251 OE1 GLU A 15 1.391 -6.842 3.486 1.00 45.32 O ATOM 252 OE2 GLU A 15 0.011 -5.452 2.489 1.00 43.11 O ATOM 0 H GLU A 15 6.135 -5.872 2.666 1.00 72.43 H new ATOM 0 HA GLU A 15 4.420 -4.284 0.905 1.00 60.14 H new ATOM 0 HB2 GLU A 15 3.489 -6.315 1.863 1.00 54.54 H new ATOM 0 HB3 GLU A 15 3.972 -5.839 3.479 1.00 54.54 H new ATOM 0 HG2 GLU A 15 2.335 -4.116 3.588 1.00 23.34 H new ATOM 0 HG3 GLU A 15 2.064 -4.141 1.857 1.00 23.34 H new ATOM 259 N LEU A 16 4.476 -2.129 2.095 1.00 13.31 N ATOM 260 CA LEU A 16 4.519 -0.829 2.756 1.00 13.11 C ATOM 261 C LEU A 16 3.133 -0.193 2.798 1.00 72.22 C ATOM 262 O LEU A 16 2.229 -0.565 2.049 1.00 64.24 O ATOM 263 CB LEU A 16 5.497 0.100 2.035 1.00 71.02 C ATOM 264 CG LEU A 16 6.965 -0.023 2.444 1.00 11.34 C ATOM 265 CD1 LEU A 16 7.305 0.995 3.522 1.00 21.34 C ATOM 266 CD2 LEU A 16 7.268 -1.434 2.926 1.00 62.13 C ATOM 0 H LEU A 16 4.197 -2.095 1.114 1.00 13.31 H new ATOM 0 HA LEU A 16 4.860 -0.981 3.780 1.00 13.11 H new ATOM 0 HB2 LEU A 16 5.422 -0.087 0.964 1.00 71.02 H new ATOM 0 HB3 LEU A 16 5.179 1.129 2.202 1.00 71.02 H new ATOM 0 HG LEU A 16 7.584 0.182 1.571 1.00 11.34 H new ATOM 0 HD11 LEU A 16 8.354 0.893 3.801 1.00 21.34 H new ATOM 0 HD12 LEU A 16 7.127 2.001 3.142 1.00 21.34 H new ATOM 0 HD13 LEU A 16 6.678 0.822 4.397 1.00 21.34 H new ATOM 0 HD21 LEU A 16 8.317 -1.503 3.213 1.00 62.13 H new ATOM 0 HD22 LEU A 16 6.641 -1.667 3.786 1.00 62.13 H new ATOM 0 HD23 LEU A 16 7.064 -2.144 2.125 1.00 62.13 H new ATOM 278 N PRO A 17 2.960 0.791 3.693 1.00 75.22 N ATOM 279 CA PRO A 17 1.687 1.501 3.852 1.00 42.22 C ATOM 280 C PRO A 17 1.371 2.397 2.659 1.00 14.22 C ATOM 281 O PRO A 17 2.188 2.550 1.752 1.00 54.41 O ATOM 282 CB PRO A 17 1.906 2.344 5.111 1.00 45.14 C ATOM 283 CG PRO A 17 3.382 2.538 5.185 1.00 72.34 C ATOM 284 CD PRO A 17 3.993 1.286 4.618 1.00 34.21 C ATOM 0 HA PRO A 17 0.843 0.815 3.924 1.00 42.22 H new ATOM 0 HB2 PRO A 17 1.384 3.299 5.044 1.00 45.14 H new ATOM 0 HB3 PRO A 17 1.528 1.836 5.998 1.00 45.14 H new ATOM 0 HG2 PRO A 17 3.689 3.415 4.615 1.00 72.34 H new ATOM 0 HG3 PRO A 17 3.704 2.698 6.214 1.00 72.34 H new ATOM 0 HD2 PRO A 17 4.929 1.495 4.100 1.00 34.21 H new ATOM 0 HD3 PRO A 17 4.216 0.558 5.398 1.00 34.21 H new ATOM 292 N ALA A 18 0.180 2.987 2.668 1.00 52.31 N ATOM 293 CA ALA A 18 -0.243 3.870 1.588 1.00 52.11 C ATOM 294 C ALA A 18 0.570 5.160 1.583 1.00 10.11 C ATOM 295 O ALA A 18 0.601 5.890 2.573 1.00 35.10 O ATOM 296 CB ALA A 18 -1.728 4.180 1.711 1.00 43.25 C ATOM 0 H ALA A 18 -0.509 2.869 3.411 1.00 52.31 H new ATOM 0 HA ALA A 18 -0.067 3.357 0.642 1.00 52.11 H new ATOM 0 HB1 ALA A 18 -2.030 4.840 0.898 1.00 43.25 H new ATOM 0 HB2 ALA A 18 -2.299 3.253 1.657 1.00 43.25 H new ATOM 0 HB3 ALA A 18 -1.920 4.669 2.666 1.00 43.25 H new ATOM 302 N GLY A 19 1.229 5.435 0.461 1.00 31.13 N ATOM 303 CA GLY A 19 2.034 6.637 0.349 1.00 22.05 C ATOM 304 C GLY A 19 3.298 6.568 1.183 1.00 22.34 C ATOM 305 O GLY A 19 3.921 7.591 1.465 1.00 14.23 O ATOM 0 H GLY A 19 1.219 4.847 -0.372 1.00 31.13 H new ATOM 0 HA2 GLY A 19 2.300 6.796 -0.696 1.00 22.05 H new ATOM 0 HA3 GLY A 19 1.442 7.497 0.662 1.00 22.05 H new ATOM 309 N ALA A 20 3.678 5.358 1.581 1.00 74.55 N ATOM 310 CA ALA A 20 4.875 5.159 2.387 1.00 65.21 C ATOM 311 C ALA A 20 6.044 5.974 1.844 1.00 63.12 C ATOM 312 O ALA A 20 6.129 6.231 0.643 1.00 60.02 O ATOM 313 CB ALA A 20 5.238 3.682 2.438 1.00 1.13 C ATOM 0 H ALA A 20 3.173 4.500 1.358 1.00 74.55 H new ATOM 0 HA ALA A 20 4.663 5.505 3.399 1.00 65.21 H new ATOM 0 HB1 ALA A 20 6.134 3.548 3.044 1.00 1.13 H new ATOM 0 HB2 ALA A 20 4.415 3.120 2.879 1.00 1.13 H new ATOM 0 HB3 ALA A 20 5.425 3.318 1.428 1.00 1.13 H new ATOM 319 N ARG A 21 6.943 6.378 2.736 1.00 52.23 N ATOM 320 CA ARG A 21 8.106 7.166 2.345 1.00 13.14 C ATOM 321 C ARG A 21 9.399 6.428 2.678 1.00 60.21 C ATOM 322 O ARG A 21 9.379 5.380 3.324 1.00 40.45 O ATOM 323 CB ARG A 21 8.087 8.525 3.048 1.00 53.03 C ATOM 324 CG ARG A 21 7.710 9.678 2.132 1.00 12.44 C ATOM 325 CD ARG A 21 6.841 10.699 2.851 1.00 70.11 C ATOM 326 NE ARG A 21 5.522 10.824 2.237 1.00 40.25 N ATOM 327 CZ ARG A 21 4.594 11.678 2.655 1.00 23.23 C ATOM 328 NH1 ARG A 21 4.840 12.477 3.684 1.00 43.20 N ATOM 329 NH2 ARG A 21 3.418 11.733 2.044 1.00 13.14 N ATOM 0 H ARG A 21 6.888 6.173 3.734 1.00 52.23 H new ATOM 0 HA ARG A 21 8.063 7.321 1.267 1.00 13.14 H new ATOM 0 HB2 ARG A 21 7.382 8.486 3.878 1.00 53.03 H new ATOM 0 HB3 ARG A 21 9.071 8.718 3.475 1.00 53.03 H new ATOM 0 HG2 ARG A 21 8.614 10.163 1.764 1.00 12.44 H new ATOM 0 HG3 ARG A 21 7.178 9.294 1.262 1.00 12.44 H new ATOM 0 HD2 ARG A 21 6.729 10.408 3.895 1.00 70.11 H new ATOM 0 HD3 ARG A 21 7.338 11.669 2.842 1.00 70.11 H new ATOM 0 HE ARG A 21 5.301 10.223 1.443 1.00 40.25 H new ATOM 0 HH11 ARG A 21 5.743 12.437 4.156 1.00 43.20 H new ATOM 0 HH12 ARG A 21 4.126 13.132 4.003 1.00 43.20 H new ATOM 0 HH21 ARG A 21 3.225 11.119 1.252 1.00 13.14 H new ATOM 0 HH22 ARG A 21 2.706 12.389 2.366 1.00 13.14 H new ATOM 343 N ALA A 22 10.522 6.981 2.232 1.00 52.43 N ATOM 344 CA ALA A 22 11.824 6.377 2.483 1.00 61.41 C ATOM 345 C ALA A 22 12.011 6.072 3.965 1.00 2.44 C ATOM 346 O ALA A 22 12.578 5.043 4.331 1.00 70.42 O ATOM 347 CB ALA A 22 12.935 7.290 1.985 1.00 32.41 C ATOM 0 H ALA A 22 10.556 7.847 1.694 1.00 52.43 H new ATOM 0 HA ALA A 22 11.871 5.435 1.936 1.00 61.41 H new ATOM 0 HB1 ALA A 22 13.902 6.826 2.179 1.00 32.41 H new ATOM 0 HB2 ALA A 22 12.819 7.453 0.913 1.00 32.41 H new ATOM 0 HB3 ALA A 22 12.881 8.246 2.505 1.00 32.41 H new ATOM 353 N SER A 23 11.532 6.975 4.815 1.00 1.22 N ATOM 354 CA SER A 23 11.651 6.805 6.259 1.00 51.25 C ATOM 355 C SER A 23 11.002 5.499 6.707 1.00 41.21 C ATOM 356 O SER A 23 11.646 4.657 7.332 1.00 0.32 O ATOM 357 CB SER A 23 11.005 7.985 6.987 1.00 1.23 C ATOM 358 OG SER A 23 10.384 7.564 8.189 1.00 13.11 O ATOM 0 H SER A 23 11.058 7.832 4.529 1.00 1.22 H new ATOM 0 HA SER A 23 12.711 6.769 6.510 1.00 51.25 H new ATOM 0 HB2 SER A 23 11.761 8.738 7.209 1.00 1.23 H new ATOM 0 HB3 SER A 23 10.267 8.457 6.338 1.00 1.23 H new ATOM 0 HG SER A 23 9.980 8.337 8.636 1.00 13.11 H new ATOM 364 N GLN A 24 9.723 5.339 6.382 1.00 2.23 N ATOM 365 CA GLN A 24 8.986 4.137 6.752 1.00 24.51 C ATOM 366 C GLN A 24 9.725 2.883 6.293 1.00 14.35 C ATOM 367 O GLN A 24 9.942 1.957 7.076 1.00 62.14 O ATOM 368 CB GLN A 24 7.582 4.166 6.146 1.00 44.44 C ATOM 369 CG GLN A 24 6.472 4.027 7.175 1.00 41.33 C ATOM 370 CD GLN A 24 5.593 5.259 7.254 1.00 15.53 C ATOM 371 OE1 GLN A 24 4.435 5.238 6.835 1.00 11.12 O ATOM 372 NE2 GLN A 24 6.138 6.343 7.794 1.00 23.13 N ATOM 0 H GLN A 24 9.176 6.026 5.864 1.00 2.23 H new ATOM 0 HA GLN A 24 8.904 4.112 7.839 1.00 24.51 H new ATOM 0 HB2 GLN A 24 7.449 5.102 5.604 1.00 44.44 H new ATOM 0 HB3 GLN A 24 7.493 3.360 5.417 1.00 44.44 H new ATOM 0 HG2 GLN A 24 5.857 3.162 6.926 1.00 41.33 H new ATOM 0 HG3 GLN A 24 6.911 3.835 8.154 1.00 41.33 H new ATOM 0 HE21 GLN A 24 7.101 6.317 8.129 1.00 23.13 H new ATOM 0 HE22 GLN A 24 5.593 7.202 7.874 1.00 23.13 H new ATOM 381 N LEU A 25 10.107 2.860 5.022 1.00 45.54 N ATOM 382 CA LEU A 25 10.822 1.720 4.458 1.00 53.10 C ATOM 383 C LEU A 25 12.154 1.506 5.169 1.00 11.24 C ATOM 384 O LEU A 25 12.539 0.374 5.460 1.00 31.30 O ATOM 385 CB LEU A 25 11.058 1.930 2.961 1.00 12.33 C ATOM 386 CG LEU A 25 11.521 0.703 2.176 1.00 73.40 C ATOM 387 CD1 LEU A 25 10.544 -0.448 2.359 1.00 35.14 C ATOM 388 CD2 LEU A 25 11.678 1.041 0.701 1.00 52.33 C ATOM 0 H LEU A 25 9.934 3.618 4.361 1.00 45.54 H new ATOM 0 HA LEU A 25 10.208 0.831 4.602 1.00 53.10 H new ATOM 0 HB2 LEU A 25 10.132 2.294 2.515 1.00 12.33 H new ATOM 0 HB3 LEU A 25 11.802 2.717 2.838 1.00 12.33 H new ATOM 0 HG LEU A 25 12.492 0.394 2.563 1.00 73.40 H new ATOM 0 HD11 LEU A 25 10.890 -1.313 1.793 1.00 35.14 H new ATOM 0 HD12 LEU A 25 10.481 -0.708 3.416 1.00 35.14 H new ATOM 0 HD13 LEU A 25 9.559 -0.150 2.000 1.00 35.14 H new ATOM 0 HD21 LEU A 25 12.008 0.155 0.158 1.00 52.33 H new ATOM 0 HD22 LEU A 25 10.721 1.376 0.301 1.00 52.33 H new ATOM 0 HD23 LEU A 25 12.417 1.834 0.586 1.00 52.33 H new ATOM 400 N SER A 26 12.852 2.602 5.449 1.00 43.00 N ATOM 401 CA SER A 26 14.142 2.534 6.125 1.00 4.44 C ATOM 402 C SER A 26 14.034 1.741 7.424 1.00 11.11 C ATOM 403 O SER A 26 14.767 0.777 7.638 1.00 23.11 O ATOM 404 CB SER A 26 14.664 3.943 6.417 1.00 74.12 C ATOM 405 OG SER A 26 15.476 4.416 5.357 1.00 64.54 O ATOM 0 H SER A 26 12.546 3.547 5.218 1.00 43.00 H new ATOM 0 HA SER A 26 14.843 2.023 5.465 1.00 4.44 H new ATOM 0 HB2 SER A 26 13.824 4.622 6.566 1.00 74.12 H new ATOM 0 HB3 SER A 26 15.238 3.937 7.344 1.00 74.12 H new ATOM 0 HG SER A 26 14.907 4.782 4.648 1.00 64.54 H new ATOM 411 N ASN A 27 13.113 2.155 8.288 1.00 52.50 N ATOM 412 CA ASN A 27 12.908 1.485 9.567 1.00 74.23 C ATOM 413 C ASN A 27 12.452 0.044 9.358 1.00 23.41 C ATOM 414 O ASN A 27 12.838 -0.855 10.106 1.00 21.55 O ATOM 415 CB ASN A 27 11.874 2.242 10.403 1.00 23.13 C ATOM 416 CG ASN A 27 11.499 1.498 11.670 1.00 31.13 C ATOM 417 OD1 ASN A 27 10.322 1.247 11.930 1.00 21.53 O ATOM 418 ND2 ASN A 27 12.501 1.142 12.466 1.00 13.01 N ATOM 0 H ASN A 27 12.497 2.951 8.126 1.00 52.50 H new ATOM 0 HA ASN A 27 13.859 1.474 10.100 1.00 74.23 H new ATOM 0 HB2 ASN A 27 12.270 3.223 10.665 1.00 23.13 H new ATOM 0 HB3 ASN A 27 10.979 2.409 9.804 1.00 23.13 H new ATOM 0 HD21 ASN A 27 12.310 0.639 13.333 1.00 13.01 H new ATOM 0 HD22 ASN A 27 13.462 1.371 12.210 1.00 13.01 H new ATOM 425 N LEU A 28 11.630 -0.169 8.336 1.00 24.25 N ATOM 426 CA LEU A 28 11.122 -1.501 8.028 1.00 63.41 C ATOM 427 C LEU A 28 12.268 -2.491 7.840 1.00 53.02 C ATOM 428 O LEU A 28 12.297 -3.550 8.468 1.00 20.11 O ATOM 429 CB LEU A 28 10.257 -1.459 6.767 1.00 22.40 C ATOM 430 CG LEU A 28 8.763 -1.714 6.969 1.00 22.33 C ATOM 431 CD1 LEU A 28 7.942 -0.855 6.021 1.00 12.42 C ATOM 432 CD2 LEU A 28 8.442 -3.188 6.770 1.00 73.34 C ATOM 0 H LEU A 28 11.301 0.564 7.707 1.00 24.25 H new ATOM 0 HA LEU A 28 10.513 -1.834 8.868 1.00 63.41 H new ATOM 0 HB2 LEU A 28 10.378 -0.482 6.300 1.00 22.40 H new ATOM 0 HB3 LEU A 28 10.640 -2.198 6.063 1.00 22.40 H new ATOM 0 HG LEU A 28 8.502 -1.441 7.992 1.00 22.33 H new ATOM 0 HD11 LEU A 28 6.881 -1.050 6.179 1.00 12.42 H new ATOM 0 HD12 LEU A 28 8.150 0.198 6.212 1.00 12.42 H new ATOM 0 HD13 LEU A 28 8.205 -1.096 4.991 1.00 12.42 H new ATOM 0 HD21 LEU A 28 7.374 -3.351 6.918 1.00 73.34 H new ATOM 0 HD22 LEU A 28 8.718 -3.487 5.759 1.00 73.34 H new ATOM 0 HD23 LEU A 28 9.003 -3.783 7.491 1.00 73.34 H new ATOM 444 N LEU A 29 13.211 -2.138 6.973 1.00 33.41 N ATOM 445 CA LEU A 29 14.361 -2.994 6.704 1.00 72.44 C ATOM 446 C LEU A 29 15.338 -2.978 7.874 1.00 5.52 C ATOM 447 O LEU A 29 15.914 -4.006 8.230 1.00 0.22 O ATOM 448 CB LEU A 29 15.070 -2.542 5.426 1.00 73.23 C ATOM 449 CG LEU A 29 14.313 -2.780 4.118 1.00 1.24 C ATOM 450 CD1 LEU A 29 14.225 -1.494 3.311 1.00 2.12 C ATOM 451 CD2 LEU A 29 14.985 -3.877 3.305 1.00 35.14 C ATOM 0 H LEU A 29 13.202 -1.266 6.445 1.00 33.41 H new ATOM 0 HA LEU A 29 14.000 -4.014 6.571 1.00 72.44 H new ATOM 0 HB2 LEU A 29 15.283 -1.476 5.510 1.00 73.23 H new ATOM 0 HB3 LEU A 29 16.030 -3.055 5.366 1.00 73.23 H new ATOM 0 HG LEU A 29 13.300 -3.103 4.360 1.00 1.24 H new ATOM 0 HD11 LEU A 29 13.683 -1.682 2.384 1.00 2.12 H new ATOM 0 HD12 LEU A 29 13.699 -0.736 3.891 1.00 2.12 H new ATOM 0 HD13 LEU A 29 15.230 -1.141 3.079 1.00 2.12 H new ATOM 0 HD21 LEU A 29 14.433 -4.033 2.378 1.00 35.14 H new ATOM 0 HD22 LEU A 29 16.009 -3.583 3.073 1.00 35.14 H new ATOM 0 HD23 LEU A 29 14.995 -4.802 3.881 1.00 35.14 H new ATOM 463 N SER A 30 15.520 -1.803 8.470 1.00 34.44 N ATOM 464 CA SER A 30 16.429 -1.652 9.600 1.00 33.04 C ATOM 465 C SER A 30 15.998 -2.537 10.766 1.00 1.24 C ATOM 466 O SER A 30 16.825 -2.972 11.568 1.00 14.32 O ATOM 467 CB SER A 30 16.482 -0.190 10.047 1.00 15.14 C ATOM 468 OG SER A 30 17.050 0.631 9.041 1.00 35.24 O ATOM 0 H SER A 30 15.050 -0.943 8.189 1.00 34.44 H new ATOM 0 HA SER A 30 17.423 -1.963 9.279 1.00 33.04 H new ATOM 0 HB2 SER A 30 15.476 0.159 10.280 1.00 15.14 H new ATOM 0 HB3 SER A 30 17.068 -0.107 10.962 1.00 15.14 H new ATOM 0 HG SER A 30 16.363 0.863 8.381 1.00 35.24 H new ATOM 474 N SER A 31 14.698 -2.799 10.853 1.00 11.14 N ATOM 475 CA SER A 31 14.155 -3.629 11.923 1.00 43.51 C ATOM 476 C SER A 31 14.898 -4.959 12.008 1.00 15.33 C ATOM 477 O SER A 31 15.005 -5.554 13.080 1.00 25.22 O ATOM 478 CB SER A 31 12.663 -3.878 11.696 1.00 11.13 C ATOM 479 OG SER A 31 12.132 -4.733 12.693 1.00 32.43 O ATOM 0 H SER A 31 14.001 -2.449 10.196 1.00 11.14 H new ATOM 0 HA SER A 31 14.288 -3.098 12.866 1.00 43.51 H new ATOM 0 HB2 SER A 31 12.127 -2.929 11.703 1.00 11.13 H new ATOM 0 HB3 SER A 31 12.511 -4.322 10.712 1.00 11.13 H new ATOM 0 HG SER A 31 11.177 -4.876 12.527 1.00 32.43 H new ATOM 485 N SER A 32 15.407 -5.419 10.870 1.00 4.23 N ATOM 486 CA SER A 32 16.137 -6.680 10.814 1.00 35.42 C ATOM 487 C SER A 32 17.372 -6.634 11.708 1.00 30.12 C ATOM 488 O SER A 32 17.545 -5.709 12.500 1.00 14.33 O ATOM 489 CB SER A 32 16.547 -6.993 9.374 1.00 73.21 C ATOM 490 OG SER A 32 16.957 -8.343 9.242 1.00 34.31 O ATOM 0 H SER A 32 15.327 -4.938 9.974 1.00 4.23 H new ATOM 0 HA SER A 32 15.478 -7.469 11.176 1.00 35.42 H new ATOM 0 HB2 SER A 32 15.710 -6.797 8.704 1.00 73.21 H new ATOM 0 HB3 SER A 32 17.359 -6.332 9.072 1.00 73.21 H new ATOM 0 HG SER A 32 17.212 -8.518 8.312 1.00 34.31 H new ATOM 496 N GLY A 33 18.230 -7.641 11.575 1.00 73.35 N ATOM 497 CA GLY A 33 19.438 -7.698 12.376 1.00 44.42 C ATOM 498 C GLY A 33 20.244 -6.416 12.301 1.00 40.23 C ATOM 499 O GLY A 33 20.645 -5.866 13.326 1.00 21.21 O ATOM 0 H GLY A 33 18.109 -8.419 10.926 1.00 73.35 H new ATOM 0 HA2 GLY A 33 19.173 -7.897 13.414 1.00 44.42 H new ATOM 0 HA3 GLY A 33 20.055 -8.531 12.039 1.00 44.42 H new ATOM 503 N MET A 34 20.483 -5.939 11.083 1.00 32.32 N ATOM 504 CA MET A 34 21.247 -4.714 10.879 1.00 53.02 C ATOM 505 C MET A 34 20.609 -3.850 9.795 1.00 21.13 C ATOM 506 O MET A 34 19.636 -4.254 9.159 1.00 11.25 O ATOM 507 CB MET A 34 22.691 -5.045 10.499 1.00 61.51 C ATOM 508 CG MET A 34 23.658 -4.978 11.670 1.00 62.13 C ATOM 509 SD MET A 34 25.232 -5.786 11.318 1.00 14.23 S ATOM 510 CE MET A 34 26.351 -4.786 12.296 1.00 60.03 C ATOM 0 H MET A 34 20.159 -6.382 10.223 1.00 32.32 H new ATOM 0 HA MET A 34 21.245 -4.154 11.814 1.00 53.02 H new ATOM 0 HB2 MET A 34 22.724 -6.045 10.068 1.00 61.51 H new ATOM 0 HB3 MET A 34 23.022 -4.353 9.725 1.00 61.51 H new ATOM 0 HG2 MET A 34 23.839 -3.934 11.927 1.00 62.13 H new ATOM 0 HG3 MET A 34 23.200 -5.446 12.541 1.00 62.13 H new ATOM 0 HE1 MET A 34 27.368 -5.162 12.183 1.00 60.03 H new ATOM 0 HE2 MET A 34 26.306 -3.751 11.956 1.00 60.03 H new ATOM 0 HE3 MET A 34 26.061 -4.836 13.345 1.00 60.03 H new ATOM 520 N ALA A 35 21.164 -2.660 9.591 1.00 51.11 N ATOM 521 CA ALA A 35 20.650 -1.741 8.583 1.00 1.52 C ATOM 522 C ALA A 35 21.706 -1.441 7.524 1.00 13.44 C ATOM 523 O ALA A 35 22.896 -1.353 7.827 1.00 12.24 O ATOM 524 CB ALA A 35 20.175 -0.452 9.238 1.00 43.32 C ATOM 0 H ALA A 35 21.969 -2.310 10.110 1.00 51.11 H new ATOM 0 HA ALA A 35 19.804 -2.218 8.089 1.00 1.52 H new ATOM 0 HB1 ALA A 35 19.794 0.225 8.474 1.00 43.32 H new ATOM 0 HB2 ALA A 35 19.382 -0.677 9.952 1.00 43.32 H new ATOM 0 HB3 ALA A 35 21.008 0.020 9.758 1.00 43.32 H new ATOM 530 N PHE A 36 21.263 -1.285 6.281 1.00 13.03 N ATOM 531 CA PHE A 36 22.170 -0.997 5.177 1.00 41.52 C ATOM 532 C PHE A 36 21.720 0.245 4.413 1.00 11.52 C ATOM 533 O PHE A 36 20.678 0.828 4.713 1.00 11.13 O ATOM 534 CB PHE A 36 22.247 -2.193 4.226 1.00 22.24 C ATOM 535 CG PHE A 36 21.010 -3.045 4.234 1.00 63.32 C ATOM 536 CD1 PHE A 36 20.872 -4.080 5.144 1.00 34.45 C ATOM 537 CD2 PHE A 36 19.986 -2.811 3.331 1.00 41.14 C ATOM 538 CE1 PHE A 36 19.735 -4.866 5.153 1.00 72.32 C ATOM 539 CE2 PHE A 36 18.847 -3.593 3.335 1.00 73.45 C ATOM 540 CZ PHE A 36 18.721 -4.622 4.248 1.00 54.24 C ATOM 0 H PHE A 36 20.281 -1.353 6.013 1.00 13.03 H new ATOM 0 HA PHE A 36 23.159 -0.808 5.593 1.00 41.52 H new ATOM 0 HB2 PHE A 36 22.423 -1.831 3.213 1.00 22.24 H new ATOM 0 HB3 PHE A 36 23.104 -2.809 4.498 1.00 22.24 H new ATOM 0 HD1 PHE A 36 21.662 -4.275 5.855 1.00 34.45 H new ATOM 0 HD2 PHE A 36 20.079 -2.008 2.615 1.00 41.14 H new ATOM 0 HE1 PHE A 36 19.640 -5.670 5.867 1.00 72.32 H new ATOM 0 HE2 PHE A 36 18.056 -3.400 2.625 1.00 73.45 H new ATOM 0 HZ PHE A 36 17.831 -5.234 4.254 1.00 54.24 H new ATOM 550 N SER A 37 22.514 0.645 3.425 1.00 53.32 N ATOM 551 CA SER A 37 22.200 1.820 2.620 1.00 2.44 C ATOM 552 C SER A 37 21.101 1.509 1.609 1.00 0.12 C ATOM 553 O SER A 37 21.278 0.677 0.719 1.00 60.24 O ATOM 554 CB SER A 37 23.452 2.316 1.894 1.00 60.13 C ATOM 555 OG SER A 37 23.135 2.790 0.597 1.00 54.14 O ATOM 0 H SER A 37 23.379 0.173 3.163 1.00 53.32 H new ATOM 0 HA SER A 37 21.842 2.603 3.289 1.00 2.44 H new ATOM 0 HB2 SER A 37 23.919 3.113 2.472 1.00 60.13 H new ATOM 0 HB3 SER A 37 24.179 1.507 1.821 1.00 60.13 H new ATOM 0 HG SER A 37 23.952 3.102 0.154 1.00 54.14 H new ATOM 561 N LEU A 38 19.965 2.183 1.753 1.00 5.22 N ATOM 562 CA LEU A 38 18.836 1.980 0.853 1.00 74.10 C ATOM 563 C LEU A 38 18.806 3.049 -0.234 1.00 44.33 C ATOM 564 O LEU A 38 18.489 4.209 0.030 1.00 54.54 O ATOM 565 CB LEU A 38 17.523 1.999 1.638 1.00 31.40 C ATOM 566 CG LEU A 38 17.124 0.685 2.311 1.00 63.54 C ATOM 567 CD1 LEU A 38 16.887 -0.398 1.269 1.00 44.11 C ATOM 568 CD2 LEU A 38 18.192 0.248 3.303 1.00 62.22 C ATOM 0 H LEU A 38 19.802 2.875 2.485 1.00 5.22 H new ATOM 0 HA LEU A 38 18.954 1.007 0.376 1.00 74.10 H new ATOM 0 HB2 LEU A 38 17.593 2.770 2.405 1.00 31.40 H new ATOM 0 HB3 LEU A 38 16.722 2.295 0.960 1.00 31.40 H new ATOM 0 HG LEU A 38 16.194 0.846 2.856 1.00 63.54 H new ATOM 0 HD11 LEU A 38 16.604 -1.326 1.766 1.00 44.11 H new ATOM 0 HD12 LEU A 38 16.087 -0.088 0.597 1.00 44.11 H new ATOM 0 HD13 LEU A 38 17.800 -0.558 0.696 1.00 44.11 H new ATOM 0 HD21 LEU A 38 17.891 -0.689 3.772 1.00 62.22 H new ATOM 0 HD22 LEU A 38 19.138 0.105 2.780 1.00 62.22 H new ATOM 0 HD23 LEU A 38 18.313 1.015 4.068 1.00 62.22 H new ATOM 580 N HIS A 39 19.138 2.651 -1.458 1.00 61.23 N ATOM 581 CA HIS A 39 19.147 3.575 -2.587 1.00 21.30 C ATOM 582 C HIS A 39 18.497 2.941 -3.813 1.00 71.11 C ATOM 583 O HIS A 39 18.618 1.737 -4.041 1.00 63.24 O ATOM 584 CB HIS A 39 20.579 3.997 -2.916 1.00 2.31 C ATOM 585 CG HIS A 39 21.467 2.855 -3.301 1.00 64.52 C ATOM 586 ND1 HIS A 39 21.336 2.167 -4.489 1.00 21.51 N ATOM 587 CD2 HIS A 39 22.505 2.281 -2.649 1.00 24.03 C ATOM 588 CE1 HIS A 39 22.254 1.218 -4.550 1.00 13.14 C ATOM 589 NE2 HIS A 39 22.977 1.267 -3.445 1.00 73.43 N ATOM 0 H HIS A 39 19.404 1.695 -1.694 1.00 61.23 H new ATOM 0 HA HIS A 39 18.571 4.457 -2.307 1.00 21.30 H new ATOM 0 HB2 HIS A 39 20.557 4.720 -3.731 1.00 2.31 H new ATOM 0 HB3 HIS A 39 21.007 4.504 -2.051 1.00 2.31 H new ATOM 0 HD2 HIS A 39 22.891 2.568 -1.682 1.00 24.03 H new ATOM 0 HE1 HIS A 39 22.390 0.521 -5.364 1.00 13.14 H new ATOM 0 HE2 HIS A 39 23.759 0.652 -3.220 1.00 73.43 H new ATOM 597 N THR A 40 17.805 3.759 -4.600 1.00 10.42 N ATOM 598 CA THR A 40 17.134 3.279 -5.801 1.00 70.01 C ATOM 599 C THR A 40 17.930 3.630 -7.053 1.00 32.20 C ATOM 600 O THR A 40 18.296 4.786 -7.262 1.00 70.02 O ATOM 601 CB THR A 40 15.716 3.868 -5.926 1.00 61.30 C ATOM 602 OG1 THR A 40 15.760 5.102 -6.651 1.00 62.32 O ATOM 603 CG2 THR A 40 15.105 4.102 -4.553 1.00 55.10 C ATOM 0 H THR A 40 17.695 4.758 -4.427 1.00 10.42 H new ATOM 0 HA THR A 40 17.062 2.195 -5.711 1.00 70.01 H new ATOM 0 HB THR A 40 15.095 3.153 -6.465 1.00 61.30 H new ATOM 0 HG1 THR A 40 16.691 5.392 -6.748 1.00 62.32 H new ATOM 0 HG21 THR A 40 14.104 4.518 -4.666 1.00 55.10 H new ATOM 0 HG22 THR A 40 15.046 3.156 -4.015 1.00 55.10 H new ATOM 0 HG23 THR A 40 15.727 4.800 -3.992 1.00 55.10 H new ATOM 611 N GLN A 41 18.193 2.625 -7.882 1.00 41.01 N ATOM 612 CA GLN A 41 18.946 2.829 -9.114 1.00 41.10 C ATOM 613 C GLN A 41 20.258 3.555 -8.836 1.00 41.31 C ATOM 614 O GLN A 41 20.762 4.294 -9.682 1.00 33.44 O ATOM 615 CB GLN A 41 18.112 3.624 -10.120 1.00 45.33 C ATOM 616 CG GLN A 41 18.024 2.969 -11.489 1.00 51.43 C ATOM 617 CD GLN A 41 17.547 3.926 -12.564 1.00 51.02 C ATOM 618 OE1 GLN A 41 16.401 4.377 -12.546 1.00 70.54 O ATOM 619 NE2 GLN A 41 18.426 4.242 -13.508 1.00 54.12 N ATOM 0 H GLN A 41 17.896 1.662 -7.723 1.00 41.01 H new ATOM 0 HA GLN A 41 19.176 1.851 -9.536 1.00 41.10 H new ATOM 0 HB2 GLN A 41 17.105 3.754 -9.723 1.00 45.33 H new ATOM 0 HB3 GLN A 41 18.542 4.620 -10.230 1.00 45.33 H new ATOM 0 HG2 GLN A 41 19.004 2.578 -11.764 1.00 51.43 H new ATOM 0 HG3 GLN A 41 17.344 2.118 -11.438 1.00 51.43 H new ATOM 0 HE21 GLN A 41 19.365 3.845 -13.484 1.00 54.12 H new ATOM 0 HE22 GLN A 41 18.162 4.882 -14.257 1.00 54.12 H new ATOM 628 N GLY A 42 20.807 3.340 -7.644 1.00 50.52 N ATOM 629 CA GLY A 42 22.055 3.982 -7.276 1.00 4.20 C ATOM 630 C GLY A 42 21.857 5.409 -6.803 1.00 33.51 C ATOM 631 O GLY A 42 22.757 6.240 -6.920 1.00 63.45 O ATOM 0 H GLY A 42 20.410 2.733 -6.927 1.00 50.52 H new ATOM 0 HA2 GLY A 42 22.538 3.405 -6.487 1.00 4.20 H new ATOM 0 HA3 GLY A 42 22.729 3.977 -8.133 1.00 4.20 H new ATOM 635 N ARG A 43 20.674 5.694 -6.268 1.00 70.51 N ATOM 636 CA ARG A 43 20.359 7.030 -5.779 1.00 0.25 C ATOM 637 C ARG A 43 19.773 6.970 -4.371 1.00 73.41 C ATOM 638 O ARG A 43 18.680 6.442 -4.165 1.00 33.13 O ATOM 639 CB ARG A 43 19.375 7.724 -6.723 1.00 24.31 C ATOM 640 CG ARG A 43 19.898 7.877 -8.142 1.00 5.03 C ATOM 641 CD ARG A 43 18.895 8.594 -9.031 1.00 74.21 C ATOM 642 NE ARG A 43 19.414 8.810 -10.379 1.00 72.40 N ATOM 643 CZ ARG A 43 18.712 9.376 -11.355 1.00 24.22 C ATOM 644 NH1 ARG A 43 17.470 9.781 -11.133 1.00 53.42 N ATOM 645 NH2 ARG A 43 19.254 9.538 -12.555 1.00 63.21 N ATOM 0 H ARG A 43 19.918 5.017 -6.162 1.00 70.51 H new ATOM 0 HA ARG A 43 21.285 7.604 -5.745 1.00 0.25 H new ATOM 0 HB2 ARG A 43 18.445 7.156 -6.747 1.00 24.31 H new ATOM 0 HB3 ARG A 43 19.136 8.710 -6.324 1.00 24.31 H new ATOM 0 HG2 ARG A 43 20.835 8.433 -8.127 1.00 5.03 H new ATOM 0 HG3 ARG A 43 20.117 6.894 -8.558 1.00 5.03 H new ATOM 0 HD2 ARG A 43 17.977 8.010 -9.086 1.00 74.21 H new ATOM 0 HD3 ARG A 43 18.636 9.554 -8.584 1.00 74.21 H new ATOM 0 HE ARG A 43 20.367 8.510 -10.582 1.00 72.40 H new ATOM 0 HH11 ARG A 43 17.051 9.659 -10.211 1.00 53.42 H new ATOM 0 HH12 ARG A 43 16.933 10.215 -11.884 1.00 53.42 H new ATOM 0 HH21 ARG A 43 20.210 9.228 -12.729 1.00 63.21 H new ATOM 0 HH22 ARG A 43 18.715 9.973 -13.304 1.00 63.21 H new ATOM 659 N VAL A 44 20.507 7.513 -3.406 1.00 22.14 N ATOM 660 CA VAL A 44 20.060 7.521 -2.018 1.00 4.32 C ATOM 661 C VAL A 44 18.659 8.108 -1.895 1.00 53.33 C ATOM 662 O VAL A 44 18.350 9.139 -2.496 1.00 24.40 O ATOM 663 CB VAL A 44 21.022 8.326 -1.123 1.00 50.03 C ATOM 664 CG1 VAL A 44 20.533 8.331 0.317 1.00 3.31 C ATOM 665 CG2 VAL A 44 22.432 7.762 -1.215 1.00 32.23 C ATOM 0 H VAL A 44 21.414 7.953 -3.559 1.00 22.14 H new ATOM 0 HA VAL A 44 20.047 6.483 -1.684 1.00 4.32 H new ATOM 0 HB VAL A 44 21.044 9.357 -1.477 1.00 50.03 H new ATOM 0 HG11 VAL A 44 21.225 8.904 0.934 1.00 3.31 H new ATOM 0 HG12 VAL A 44 19.543 8.785 0.364 1.00 3.31 H new ATOM 0 HG13 VAL A 44 20.480 7.307 0.687 1.00 3.31 H new ATOM 0 HG21 VAL A 44 23.098 8.342 -0.577 1.00 32.23 H new ATOM 0 HG22 VAL A 44 22.430 6.722 -0.887 1.00 32.23 H new ATOM 0 HG23 VAL A 44 22.779 7.817 -2.247 1.00 32.23 H new ATOM 675 N LEU A 45 17.813 7.447 -1.113 1.00 73.14 N ATOM 676 CA LEU A 45 16.442 7.903 -0.911 1.00 11.23 C ATOM 677 C LEU A 45 16.387 9.017 0.130 1.00 21.10 C ATOM 678 O LEU A 45 17.004 8.920 1.191 1.00 71.31 O ATOM 679 CB LEU A 45 15.555 6.736 -0.473 1.00 54.52 C ATOM 680 CG LEU A 45 14.654 6.136 -1.553 1.00 41.24 C ATOM 681 CD1 LEU A 45 13.698 5.120 -0.948 1.00 3.24 C ATOM 682 CD2 LEU A 45 13.883 7.232 -2.275 1.00 3.22 C ATOM 0 H LEU A 45 18.052 6.593 -0.608 1.00 73.14 H new ATOM 0 HA LEU A 45 16.073 8.297 -1.858 1.00 11.23 H new ATOM 0 HB2 LEU A 45 16.196 5.946 -0.082 1.00 54.52 H new ATOM 0 HB3 LEU A 45 14.926 7.073 0.351 1.00 54.52 H new ATOM 0 HG LEU A 45 15.284 5.623 -2.280 1.00 41.24 H new ATOM 0 HD11 LEU A 45 13.065 4.704 -1.732 1.00 3.24 H new ATOM 0 HD12 LEU A 45 14.268 4.318 -0.479 1.00 3.24 H new ATOM 0 HD13 LEU A 45 13.074 5.608 -0.199 1.00 3.24 H new ATOM 0 HD21 LEU A 45 13.247 6.786 -3.040 1.00 3.22 H new ATOM 0 HD22 LEU A 45 13.264 7.774 -1.559 1.00 3.22 H new ATOM 0 HD23 LEU A 45 14.585 7.922 -2.743 1.00 3.22 H new ATOM 694 N SER A 46 15.643 10.074 -0.180 1.00 73.51 N ATOM 695 CA SER A 46 15.508 11.207 0.728 1.00 62.24 C ATOM 696 C SER A 46 14.530 10.888 1.854 1.00 73.52 C ATOM 697 O SER A 46 13.609 10.090 1.682 1.00 31.40 O ATOM 698 CB SER A 46 15.038 12.446 -0.036 1.00 54.12 C ATOM 699 OG SER A 46 13.755 12.240 -0.602 1.00 32.11 O ATOM 0 H SER A 46 15.124 10.169 -1.053 1.00 73.51 H new ATOM 0 HA SER A 46 16.485 11.408 1.166 1.00 62.24 H new ATOM 0 HB2 SER A 46 15.009 13.303 0.637 1.00 54.12 H new ATOM 0 HB3 SER A 46 15.753 12.684 -0.824 1.00 54.12 H new ATOM 0 HG SER A 46 13.476 13.047 -1.083 1.00 32.11 H new ATOM 705 N GLU A 47 14.737 11.517 3.006 1.00 3.30 N ATOM 706 CA GLU A 47 13.874 11.300 4.161 1.00 22.30 C ATOM 707 C GLU A 47 12.417 11.590 3.814 1.00 50.23 C ATOM 708 O GLU A 47 11.501 11.049 4.431 1.00 32.44 O ATOM 709 CB GLU A 47 14.317 12.182 5.330 1.00 40.31 C ATOM 710 CG GLU A 47 15.708 11.855 5.847 1.00 41.45 C ATOM 711 CD GLU A 47 16.094 12.692 7.051 1.00 65.30 C ATOM 712 OE1 GLU A 47 15.199 13.337 7.636 1.00 24.33 O ATOM 713 OE2 GLU A 47 17.291 12.701 7.408 1.00 51.50 O ATOM 0 H GLU A 47 15.495 12.181 3.165 1.00 3.30 H new ATOM 0 HA GLU A 47 13.958 10.253 4.453 1.00 22.30 H new ATOM 0 HB2 GLU A 47 14.291 13.226 5.017 1.00 40.31 H new ATOM 0 HB3 GLU A 47 13.601 12.076 6.145 1.00 40.31 H new ATOM 0 HG2 GLU A 47 15.754 10.799 6.113 1.00 41.45 H new ATOM 0 HG3 GLU A 47 16.435 12.014 5.050 1.00 41.45 H new ATOM 720 N ALA A 48 12.211 12.449 2.821 1.00 45.52 N ATOM 721 CA ALA A 48 10.867 12.811 2.390 1.00 51.42 C ATOM 722 C ALA A 48 10.512 12.134 1.070 1.00 24.04 C ATOM 723 O ALA A 48 9.421 12.329 0.535 1.00 24.34 O ATOM 724 CB ALA A 48 10.743 14.322 2.260 1.00 42.24 C ATOM 0 H ALA A 48 12.959 12.907 2.300 1.00 45.52 H new ATOM 0 HA ALA A 48 10.164 12.463 3.147 1.00 51.42 H new ATOM 0 HB1 ALA A 48 9.734 14.578 1.937 1.00 42.24 H new ATOM 0 HB2 ALA A 48 10.945 14.788 3.225 1.00 42.24 H new ATOM 0 HB3 ALA A 48 11.462 14.684 1.525 1.00 42.24 H new ATOM 730 N ALA A 49 11.442 11.338 0.551 1.00 55.54 N ATOM 731 CA ALA A 49 11.226 10.631 -0.706 1.00 0.43 C ATOM 732 C ALA A 49 9.928 9.832 -0.670 1.00 53.42 C ATOM 733 O ALA A 49 9.742 8.972 0.190 1.00 54.33 O ATOM 734 CB ALA A 49 12.404 9.716 -1.005 1.00 33.44 C ATOM 0 H ALA A 49 12.351 11.167 0.981 1.00 55.54 H new ATOM 0 HA ALA A 49 11.144 11.371 -1.502 1.00 0.43 H new ATOM 0 HB1 ALA A 49 12.230 9.194 -1.946 1.00 33.44 H new ATOM 0 HB2 ALA A 49 13.315 10.309 -1.082 1.00 33.44 H new ATOM 0 HB3 ALA A 49 12.512 8.988 -0.201 1.00 33.44 H new ATOM 740 N GLU A 50 9.033 10.123 -1.610 1.00 1.54 N ATOM 741 CA GLU A 50 7.751 9.432 -1.683 1.00 45.03 C ATOM 742 C GLU A 50 7.861 8.174 -2.539 1.00 73.55 C ATOM 743 O GLU A 50 8.237 8.236 -3.711 1.00 13.32 O ATOM 744 CB GLU A 50 6.678 10.360 -2.256 1.00 43.21 C ATOM 745 CG GLU A 50 5.746 9.677 -3.243 1.00 2.04 C ATOM 746 CD GLU A 50 4.504 10.496 -3.534 1.00 73.12 C ATOM 747 OE1 GLU A 50 4.607 11.482 -4.294 1.00 33.44 O ATOM 748 OE2 GLU A 50 3.428 10.150 -3.003 1.00 32.05 O ATOM 0 H GLU A 50 9.172 10.832 -2.330 1.00 1.54 H new ATOM 0 HA GLU A 50 7.466 9.140 -0.672 1.00 45.03 H new ATOM 0 HB2 GLU A 50 6.088 10.769 -1.436 1.00 43.21 H new ATOM 0 HB3 GLU A 50 7.164 11.201 -2.750 1.00 43.21 H new ATOM 0 HG2 GLU A 50 6.281 9.492 -4.174 1.00 2.04 H new ATOM 0 HG3 GLU A 50 5.451 8.705 -2.846 1.00 2.04 H new ATOM 755 N LEU A 51 7.530 7.032 -1.947 1.00 21.43 N ATOM 756 CA LEU A 51 7.591 5.757 -2.654 1.00 21.04 C ATOM 757 C LEU A 51 6.414 5.609 -3.613 1.00 2.43 C ATOM 758 O LEU A 51 5.765 6.592 -3.970 1.00 65.53 O ATOM 759 CB LEU A 51 7.599 4.598 -1.656 1.00 31.33 C ATOM 760 CG LEU A 51 8.522 4.758 -0.448 1.00 4.24 C ATOM 761 CD1 LEU A 51 8.324 3.612 0.532 1.00 10.00 C ATOM 762 CD2 LEU A 51 9.975 4.836 -0.894 1.00 23.44 C ATOM 0 H LEU A 51 7.216 6.962 -0.979 1.00 21.43 H new ATOM 0 HA LEU A 51 8.513 5.735 -3.234 1.00 21.04 H new ATOM 0 HB2 LEU A 51 6.582 4.450 -1.293 1.00 31.33 H new ATOM 0 HB3 LEU A 51 7.883 3.690 -2.187 1.00 31.33 H new ATOM 0 HG LEU A 51 8.267 5.689 0.058 1.00 4.24 H new ATOM 0 HD11 LEU A 51 8.990 3.744 1.385 1.00 10.00 H new ATOM 0 HD12 LEU A 51 7.290 3.603 0.877 1.00 10.00 H new ATOM 0 HD13 LEU A 51 8.550 2.667 0.038 1.00 10.00 H new ATOM 0 HD21 LEU A 51 10.618 4.950 -0.021 1.00 23.44 H new ATOM 0 HD22 LEU A 51 10.242 3.922 -1.425 1.00 23.44 H new ATOM 0 HD23 LEU A 51 10.107 5.692 -1.556 1.00 23.44 H new ATOM 774 N ASN A 52 6.144 4.375 -4.024 1.00 34.23 N ATOM 775 CA ASN A 52 5.043 4.098 -4.940 1.00 44.22 C ATOM 776 C ASN A 52 4.670 2.619 -4.912 1.00 4.12 C ATOM 777 O ASN A 52 5.168 1.859 -4.081 1.00 32.21 O ATOM 778 CB ASN A 52 5.421 4.513 -6.364 1.00 2.14 C ATOM 779 CG ASN A 52 4.298 5.249 -7.068 1.00 44.45 C ATOM 780 OD1 ASN A 52 3.131 4.872 -6.964 1.00 24.44 O ATOM 781 ND2 ASN A 52 4.647 6.307 -7.792 1.00 62.11 N ATOM 0 H ASN A 52 6.672 3.551 -3.738 1.00 34.23 H new ATOM 0 HA ASN A 52 4.179 4.678 -4.616 1.00 44.22 H new ATOM 0 HB2 ASN A 52 6.305 5.150 -6.332 1.00 2.14 H new ATOM 0 HB3 ASN A 52 5.688 3.626 -6.939 1.00 2.14 H new ATOM 0 HD21 ASN A 52 3.935 6.842 -8.289 1.00 62.11 H new ATOM 0 HD22 ASN A 52 5.627 6.584 -7.850 1.00 62.11 H new ATOM 788 N ASP A 53 3.793 2.218 -5.825 1.00 12.41 N ATOM 789 CA ASP A 53 3.354 0.830 -5.906 1.00 40.03 C ATOM 790 C ASP A 53 4.318 0.004 -6.752 1.00 41.13 C ATOM 791 O ASP A 53 4.824 0.473 -7.772 1.00 63.41 O ATOM 792 CB ASP A 53 1.944 0.752 -6.495 1.00 4.05 C ATOM 793 CG ASP A 53 1.246 -0.550 -6.154 1.00 0.34 C ATOM 794 OD1 ASP A 53 1.831 -1.358 -5.402 1.00 71.23 O ATOM 795 OD2 ASP A 53 0.114 -0.760 -6.637 1.00 43.34 O ATOM 0 H ASP A 53 3.372 2.835 -6.520 1.00 12.41 H new ATOM 0 HA ASP A 53 3.341 0.419 -4.896 1.00 40.03 H new ATOM 0 HB2 ASP A 53 1.351 1.587 -6.123 1.00 4.05 H new ATOM 0 HB3 ASP A 53 1.999 0.858 -7.578 1.00 4.05 H new ATOM 800 N LYS A 54 4.569 -1.228 -6.322 1.00 11.44 N ATOM 801 CA LYS A 54 5.472 -2.120 -7.038 1.00 70.23 C ATOM 802 C LYS A 54 6.796 -1.426 -7.341 1.00 23.34 C ATOM 803 O LYS A 54 7.325 -1.534 -8.446 1.00 45.44 O ATOM 804 CB LYS A 54 4.824 -2.596 -8.341 1.00 25.13 C ATOM 805 CG LYS A 54 3.403 -3.102 -8.164 1.00 2.20 C ATOM 806 CD LYS A 54 2.958 -3.939 -9.351 1.00 55.02 C ATOM 807 CE LYS A 54 1.442 -4.036 -9.427 1.00 35.53 C ATOM 808 NZ LYS A 54 0.863 -4.645 -8.197 1.00 30.30 N ATOM 0 H LYS A 54 4.159 -1.631 -5.480 1.00 11.44 H new ATOM 0 HA LYS A 54 5.671 -2.982 -6.401 1.00 70.23 H new ATOM 0 HB2 LYS A 54 4.822 -1.774 -9.057 1.00 25.13 H new ATOM 0 HB3 LYS A 54 5.433 -3.391 -8.771 1.00 25.13 H new ATOM 0 HG2 LYS A 54 3.338 -3.697 -7.253 1.00 2.20 H new ATOM 0 HG3 LYS A 54 2.727 -2.256 -8.040 1.00 2.20 H new ATOM 0 HD2 LYS A 54 3.342 -3.500 -10.272 1.00 55.02 H new ATOM 0 HD3 LYS A 54 3.384 -4.939 -9.273 1.00 55.02 H new ATOM 0 HE2 LYS A 54 1.021 -3.041 -9.572 1.00 35.53 H new ATOM 0 HE3 LYS A 54 1.159 -4.632 -10.295 1.00 35.53 H new ATOM 0 HZ1 LYS A 54 -0.152 -4.818 -8.340 1.00 30.30 H new ATOM 0 HZ2 LYS A 54 1.343 -5.545 -7.996 1.00 30.30 H new ATOM 0 HZ3 LYS A 54 0.994 -3.997 -7.394 1.00 30.30 H new ATOM 822 N MET A 55 7.327 -0.716 -6.350 1.00 72.32 N ATOM 823 CA MET A 55 8.591 -0.008 -6.511 1.00 1.55 C ATOM 824 C MET A 55 9.767 -0.979 -6.480 1.00 73.12 C ATOM 825 O MET A 55 9.593 -2.171 -6.227 1.00 22.32 O ATOM 826 CB MET A 55 8.754 1.043 -5.411 1.00 3.33 C ATOM 827 CG MET A 55 8.041 2.352 -5.710 1.00 21.12 C ATOM 828 SD MET A 55 9.057 3.796 -5.344 1.00 60.03 S ATOM 829 CE MET A 55 9.961 3.971 -6.880 1.00 43.34 C ATOM 0 H MET A 55 6.902 -0.616 -5.428 1.00 72.32 H new ATOM 0 HA MET A 55 8.579 0.489 -7.481 1.00 1.55 H new ATOM 0 HB2 MET A 55 8.374 0.638 -4.473 1.00 3.33 H new ATOM 0 HB3 MET A 55 9.816 1.242 -5.265 1.00 3.33 H new ATOM 0 HG2 MET A 55 7.753 2.372 -6.761 1.00 21.12 H new ATOM 0 HG3 MET A 55 7.122 2.402 -5.126 1.00 21.12 H new ATOM 0 HE1 MET A 55 10.635 4.825 -6.810 1.00 43.34 H new ATOM 0 HE2 MET A 55 10.540 3.067 -7.067 1.00 43.34 H new ATOM 0 HE3 MET A 55 9.259 4.128 -7.699 1.00 43.34 H new ATOM 839 N VAL A 56 10.963 -0.462 -6.740 1.00 42.25 N ATOM 840 CA VAL A 56 12.168 -1.284 -6.742 1.00 55.41 C ATOM 841 C VAL A 56 13.342 -0.539 -6.118 1.00 0.32 C ATOM 842 O VAL A 56 14.001 0.266 -6.777 1.00 54.11 O ATOM 843 CB VAL A 56 12.549 -1.717 -8.170 1.00 23.11 C ATOM 844 CG1 VAL A 56 13.845 -2.513 -8.158 1.00 22.51 C ATOM 845 CG2 VAL A 56 11.424 -2.524 -8.800 1.00 40.22 C ATOM 0 H VAL A 56 11.124 0.523 -6.952 1.00 42.25 H new ATOM 0 HA VAL A 56 11.948 -2.171 -6.148 1.00 55.41 H new ATOM 0 HB VAL A 56 12.705 -0.823 -8.773 1.00 23.11 H new ATOM 0 HG11 VAL A 56 14.099 -2.811 -9.175 1.00 22.51 H new ATOM 0 HG12 VAL A 56 14.646 -1.897 -7.750 1.00 22.51 H new ATOM 0 HG13 VAL A 56 13.720 -3.402 -7.540 1.00 22.51 H new ATOM 0 HG21 VAL A 56 11.710 -2.822 -9.809 1.00 40.22 H new ATOM 0 HG22 VAL A 56 11.234 -3.414 -8.199 1.00 40.22 H new ATOM 0 HG23 VAL A 56 10.520 -1.916 -8.844 1.00 40.22 H new ATOM 855 N ILE A 57 13.599 -0.813 -4.843 1.00 41.33 N ATOM 856 CA ILE A 57 14.696 -0.169 -4.130 1.00 74.43 C ATOM 857 C ILE A 57 15.914 -1.083 -4.056 1.00 63.14 C ATOM 858 O ILE A 57 15.790 -2.281 -3.803 1.00 20.42 O ATOM 859 CB ILE A 57 14.281 0.231 -2.702 1.00 73.31 C ATOM 860 CG1 ILE A 57 12.889 0.866 -2.711 1.00 73.21 C ATOM 861 CG2 ILE A 57 15.301 1.187 -2.102 1.00 60.53 C ATOM 862 CD1 ILE A 57 12.806 2.129 -3.538 1.00 44.55 C ATOM 0 H ILE A 57 13.063 -1.476 -4.283 1.00 41.33 H new ATOM 0 HA ILE A 57 14.952 0.730 -4.690 1.00 74.43 H new ATOM 0 HB ILE A 57 14.246 -0.667 -2.085 1.00 73.31 H new ATOM 0 HG12 ILE A 57 12.171 0.142 -3.096 1.00 73.21 H new ATOM 0 HG13 ILE A 57 12.595 1.093 -1.686 1.00 73.21 H new ATOM 0 HG21 ILE A 57 14.994 1.460 -1.093 1.00 60.53 H new ATOM 0 HG22 ILE A 57 16.277 0.702 -2.065 1.00 60.53 H new ATOM 0 HG23 ILE A 57 15.365 2.084 -2.718 1.00 60.53 H new ATOM 0 HD11 ILE A 57 11.791 2.524 -3.498 1.00 44.55 H new ATOM 0 HD12 ILE A 57 13.499 2.870 -3.141 1.00 44.55 H new ATOM 0 HD13 ILE A 57 13.068 1.905 -4.572 1.00 44.55 H new ATOM 874 N ASP A 58 17.091 -0.509 -4.278 1.00 5.12 N ATOM 875 CA ASP A 58 18.334 -1.271 -4.233 1.00 42.35 C ATOM 876 C ASP A 58 18.980 -1.177 -2.855 1.00 21.14 C ATOM 877 O ASP A 58 19.503 -0.131 -2.473 1.00 45.33 O ATOM 878 CB ASP A 58 19.306 -0.765 -5.301 1.00 12.31 C ATOM 879 CG ASP A 58 20.185 -1.869 -5.853 1.00 64.12 C ATOM 880 OD1 ASP A 58 21.222 -2.173 -5.225 1.00 54.13 O ATOM 881 OD2 ASP A 58 19.837 -2.430 -6.913 1.00 23.21 O ATOM 0 H ASP A 58 17.211 0.481 -4.491 1.00 5.12 H new ATOM 0 HA ASP A 58 18.098 -2.316 -4.433 1.00 42.35 H new ATOM 0 HB2 ASP A 58 18.742 -0.312 -6.116 1.00 12.31 H new ATOM 0 HB3 ASP A 58 19.934 0.017 -4.875 1.00 12.31 H new ATOM 886 N ALA A 59 18.938 -2.278 -2.111 1.00 41.02 N ATOM 887 CA ALA A 59 19.520 -2.320 -0.775 1.00 72.34 C ATOM 888 C ALA A 59 20.972 -2.785 -0.823 1.00 54.43 C ATOM 889 O ALA A 59 21.253 -3.947 -1.115 1.00 73.22 O ATOM 890 CB ALA A 59 18.702 -3.231 0.128 1.00 72.42 C ATOM 0 H ALA A 59 18.507 -3.152 -2.411 1.00 41.02 H new ATOM 0 HA ALA A 59 19.503 -1.310 -0.366 1.00 72.34 H new ATOM 0 HB1 ALA A 59 19.148 -3.253 1.122 1.00 72.42 H new ATOM 0 HB2 ALA A 59 17.681 -2.855 0.196 1.00 72.42 H new ATOM 0 HB3 ALA A 59 18.690 -4.239 -0.287 1.00 72.42 H new ATOM 896 N PHE A 60 21.891 -1.869 -0.536 1.00 14.23 N ATOM 897 CA PHE A 60 23.314 -2.184 -0.548 1.00 22.43 C ATOM 898 C PHE A 60 23.878 -2.208 0.870 1.00 1.20 C ATOM 899 O PHE A 60 23.817 -1.212 1.591 1.00 45.20 O ATOM 900 CB PHE A 60 24.077 -1.164 -1.395 1.00 62.33 C ATOM 901 CG PHE A 60 25.346 -0.681 -0.754 1.00 23.15 C ATOM 902 CD1 PHE A 60 26.448 -1.515 -0.652 1.00 30.31 C ATOM 903 CD2 PHE A 60 25.438 0.607 -0.252 1.00 52.44 C ATOM 904 CE1 PHE A 60 27.617 -1.073 -0.061 1.00 74.30 C ATOM 905 CE2 PHE A 60 26.604 1.055 0.339 1.00 1.12 C ATOM 906 CZ PHE A 60 27.695 0.214 0.434 1.00 62.20 C ATOM 0 H PHE A 60 21.675 -0.902 -0.292 1.00 14.23 H new ATOM 0 HA PHE A 60 23.437 -3.174 -0.986 1.00 22.43 H new ATOM 0 HB2 PHE A 60 24.314 -1.611 -2.361 1.00 62.33 H new ATOM 0 HB3 PHE A 60 23.430 -0.309 -1.590 1.00 62.33 H new ATOM 0 HD1 PHE A 60 26.393 -2.522 -1.039 1.00 30.31 H new ATOM 0 HD2 PHE A 60 24.588 1.269 -0.323 1.00 52.44 H new ATOM 0 HE1 PHE A 60 28.468 -1.733 0.014 1.00 74.30 H new ATOM 0 HE2 PHE A 60 26.662 2.062 0.726 1.00 1.12 H new ATOM 0 HZ PHE A 60 28.608 0.562 0.895 1.00 62.20 H new ATOM 916 N VAL A 61 24.426 -3.353 1.264 1.00 64.15 N ATOM 917 CA VAL A 61 25.002 -3.508 2.594 1.00 11.32 C ATOM 918 C VAL A 61 26.517 -3.339 2.561 1.00 73.52 C ATOM 919 O VAL A 61 27.173 -3.599 1.552 1.00 20.51 O ATOM 920 CB VAL A 61 24.662 -4.884 3.196 1.00 23.21 C ATOM 921 CG1 VAL A 61 23.172 -5.165 3.080 1.00 70.12 C ATOM 922 CG2 VAL A 61 25.474 -5.977 2.517 1.00 72.01 C ATOM 0 H VAL A 61 24.483 -4.188 0.680 1.00 64.15 H new ATOM 0 HA VAL A 61 24.567 -2.729 3.220 1.00 11.32 H new ATOM 0 HB VAL A 61 24.923 -4.873 4.254 1.00 23.21 H new ATOM 0 HG11 VAL A 61 22.951 -6.142 3.511 1.00 70.12 H new ATOM 0 HG12 VAL A 61 22.614 -4.397 3.616 1.00 70.12 H new ATOM 0 HG13 VAL A 61 22.881 -5.158 2.030 1.00 70.12 H new ATOM 0 HG21 VAL A 61 25.221 -6.943 2.954 1.00 72.01 H new ATOM 0 HG22 VAL A 61 25.246 -5.991 1.451 1.00 72.01 H new ATOM 0 HG23 VAL A 61 26.537 -5.782 2.658 1.00 72.01 H new ATOM 932 N PRO A 62 27.088 -2.894 3.690 1.00 73.40 N ATOM 933 CA PRO A 62 28.533 -2.682 3.816 1.00 33.40 C ATOM 934 C PRO A 62 29.313 -3.993 3.822 1.00 15.33 C ATOM 935 O PRO A 62 28.905 -4.965 4.457 1.00 63.21 O ATOM 936 CB PRO A 62 28.671 -1.972 5.165 1.00 55.33 C ATOM 937 CG PRO A 62 27.469 -2.392 5.939 1.00 51.42 C ATOM 938 CD PRO A 62 26.367 -2.565 4.931 1.00 54.52 C ATOM 0 HA PRO A 62 28.936 -2.115 2.977 1.00 33.40 H new ATOM 0 HB2 PRO A 62 29.590 -2.263 5.673 1.00 55.33 H new ATOM 0 HB3 PRO A 62 28.704 -0.890 5.041 1.00 55.33 H new ATOM 0 HG2 PRO A 62 27.656 -3.322 6.476 1.00 51.42 H new ATOM 0 HG3 PRO A 62 27.203 -1.642 6.684 1.00 51.42 H new ATOM 0 HD2 PRO A 62 25.680 -3.361 5.219 1.00 54.52 H new ATOM 0 HD3 PRO A 62 25.775 -1.656 4.823 1.00 54.52 H new ATOM 946 N ALA A 63 30.436 -4.011 3.112 1.00 12.22 N ATOM 947 CA ALA A 63 31.274 -5.201 3.038 1.00 33.23 C ATOM 948 C ALA A 63 32.319 -5.206 4.149 1.00 70.53 C ATOM 949 O ALA A 63 32.515 -4.203 4.835 1.00 71.05 O ATOM 950 CB ALA A 63 31.947 -5.289 1.677 1.00 71.23 C ATOM 0 H ALA A 63 30.786 -3.215 2.580 1.00 12.22 H new ATOM 0 HA ALA A 63 30.635 -6.074 3.172 1.00 33.23 H new ATOM 0 HB1 ALA A 63 32.570 -6.183 1.636 1.00 71.23 H new ATOM 0 HB2 ALA A 63 31.187 -5.341 0.898 1.00 71.23 H new ATOM 0 HB3 ALA A 63 32.568 -4.407 1.520 1.00 71.23 H new ATOM 956 N ASP A 64 32.987 -6.342 4.321 1.00 53.14 N ATOM 957 CA ASP A 64 34.013 -6.477 5.348 1.00 33.51 C ATOM 958 C ASP A 64 35.246 -5.652 4.997 1.00 42.35 C ATOM 959 O ASP A 64 35.736 -5.697 3.869 1.00 74.42 O ATOM 960 CB ASP A 64 34.400 -7.947 5.522 1.00 51.13 C ATOM 961 CG ASP A 64 33.256 -8.788 6.054 1.00 43.10 C ATOM 962 OD1 ASP A 64 32.374 -9.164 5.254 1.00 34.03 O ATOM 963 OD2 ASP A 64 33.245 -9.071 7.270 1.00 15.20 O ATOM 0 H ASP A 64 32.836 -7.182 3.762 1.00 53.14 H new ATOM 0 HA ASP A 64 33.604 -6.103 6.287 1.00 33.51 H new ATOM 0 HB2 ASP A 64 34.728 -8.349 4.563 1.00 51.13 H new ATOM 0 HB3 ASP A 64 35.247 -8.018 6.204 1.00 51.13 H new ATOM 968 N GLY A 65 35.744 -4.896 5.971 1.00 54.43 N ATOM 969 CA GLY A 65 36.915 -4.069 5.744 1.00 72.31 C ATOM 970 C GLY A 65 37.647 -3.737 7.029 1.00 44.23 C ATOM 971 O GLY A 65 37.957 -4.625 7.822 1.00 0.01 O ATOM 0 H GLY A 65 35.357 -4.842 6.913 1.00 54.43 H new ATOM 0 HA2 GLY A 65 37.594 -4.585 5.065 1.00 72.31 H new ATOM 0 HA3 GLY A 65 36.613 -3.144 5.252 1.00 72.31 H new ATOM 975 N ALA A 66 37.927 -2.454 7.234 1.00 51.24 N ATOM 976 CA ALA A 66 38.627 -2.006 8.431 1.00 64.31 C ATOM 977 C ALA A 66 38.052 -0.691 8.944 1.00 4.50 C ATOM 978 O ALA A 66 38.111 0.332 8.262 1.00 73.41 O ATOM 979 CB ALA A 66 40.115 -1.860 8.148 1.00 2.31 C ATOM 0 H ALA A 66 37.679 -1.706 6.586 1.00 51.24 H new ATOM 0 HA ALA A 66 38.488 -2.759 9.207 1.00 64.31 H new ATOM 0 HB1 ALA A 66 40.626 -1.525 9.051 1.00 2.31 H new ATOM 0 HB2 ALA A 66 40.522 -2.822 7.837 1.00 2.31 H new ATOM 0 HB3 ALA A 66 40.264 -1.129 7.354 1.00 2.31 H new ATOM 985 N GLY A 67 37.496 -0.724 10.151 1.00 12.32 N ATOM 986 CA GLY A 67 36.917 0.473 10.734 1.00 23.45 C ATOM 987 C GLY A 67 36.259 0.205 12.073 1.00 32.33 C ATOM 988 O GLY A 67 35.033 0.138 12.168 1.00 35.22 O ATOM 0 H GLY A 67 37.436 -1.558 10.736 1.00 12.32 H new ATOM 0 HA2 GLY A 67 37.695 1.226 10.859 1.00 23.45 H new ATOM 0 HA3 GLY A 67 36.180 0.888 10.047 1.00 23.45 H new ATOM 992 N LEU A 68 37.074 0.049 13.111 1.00 53.22 N ATOM 993 CA LEU A 68 36.563 -0.215 14.452 1.00 42.13 C ATOM 994 C LEU A 68 35.749 0.967 14.967 1.00 10.50 C ATOM 995 O LEU A 68 34.529 0.882 15.099 1.00 74.12 O ATOM 996 CB LEU A 68 37.719 -0.509 15.410 1.00 72.32 C ATOM 997 CG LEU A 68 37.758 -1.919 16.001 1.00 13.34 C ATOM 998 CD1 LEU A 68 39.179 -2.297 16.387 1.00 44.22 C ATOM 999 CD2 LEU A 68 36.833 -2.017 17.206 1.00 74.44 C ATOM 0 H LEU A 68 38.091 0.101 13.050 1.00 53.22 H new ATOM 0 HA LEU A 68 35.910 -1.087 14.401 1.00 42.13 H new ATOM 0 HB2 LEU A 68 38.656 -0.332 14.882 1.00 72.32 H new ATOM 0 HB3 LEU A 68 37.675 0.207 16.231 1.00 72.32 H new ATOM 0 HG LEU A 68 37.411 -2.620 15.242 1.00 13.34 H new ATOM 0 HD11 LEU A 68 39.187 -3.303 16.806 1.00 44.22 H new ATOM 0 HD12 LEU A 68 39.816 -2.267 15.503 1.00 44.22 H new ATOM 0 HD13 LEU A 68 39.554 -1.592 17.129 1.00 44.22 H new ATOM 0 HD21 LEU A 68 36.873 -3.027 17.614 1.00 74.44 H new ATOM 0 HD22 LEU A 68 37.151 -1.305 17.968 1.00 74.44 H new ATOM 0 HD23 LEU A 68 35.812 -1.789 16.900 1.00 74.44 H new ATOM 1011 N GLU A 69 36.433 2.070 15.255 1.00 43.34 N ATOM 1012 CA GLU A 69 35.772 3.270 15.754 1.00 2.30 C ATOM 1013 C GLU A 69 35.195 4.092 14.605 1.00 74.52 C ATOM 1014 O GLU A 69 35.687 5.176 14.295 1.00 65.50 O ATOM 1015 CB GLU A 69 36.754 4.122 16.561 1.00 43.10 C ATOM 1016 CG GLU A 69 37.414 3.371 17.705 1.00 62.10 C ATOM 1017 CD GLU A 69 36.464 3.114 18.859 1.00 65.43 C ATOM 1018 OE1 GLU A 69 35.855 4.085 19.352 1.00 12.44 O ATOM 1019 OE2 GLU A 69 36.331 1.941 19.268 1.00 50.51 O ATOM 0 H GLU A 69 37.444 2.157 15.151 1.00 43.34 H new ATOM 0 HA GLU A 69 34.953 2.959 16.403 1.00 2.30 H new ATOM 0 HB2 GLU A 69 37.527 4.501 15.893 1.00 43.10 H new ATOM 0 HB3 GLU A 69 36.227 4.987 16.962 1.00 43.10 H new ATOM 0 HG2 GLU A 69 37.798 2.420 17.337 1.00 62.10 H new ATOM 0 HG3 GLU A 69 38.270 3.943 18.064 1.00 62.10 H new TER 1026 GLU A 69