USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 525 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 18 THR OG1 : rot -160:sc= -1.37 USER MOD Set 1.2: A 21 MET CE :methyl 139:sc= -3.33! (180deg=-2.5) USER MOD Set 2.1: A 14 ASN : amide:sc= -0.598 K(o=-0.24,f=-7.4!) USER MOD Set 2.2: A 44 GLN : amide:sc= -0.0316 X(o=-0.24,f=-0.35) USER MOD Set 2.3: A 61 LYS NZ :NH3+ 139:sc= 0.389 (180deg=-0.475) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ASN : amide:sc= -2.89! K(o=-2.9!,f=-1.7) USER MOD Single : A 2 GLN : amide:sc= -0.657 K(o=-0.66,f=-0.0048) USER MOD Single : A 4 SER OG : rot -93:sc= -0.517 USER MOD Single : A 9 GLN : amide:sc= -4.36! C(o=-4.4!,f=-4.6!) USER MOD Single : A 15 THR OG1 : rot -60:sc= -2.41 USER MOD Single : A 22 MET CE :methyl -156:sc= -1.95 (180deg=-3.22!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.309! USER MOD Single : A 24 THR OG1 : rot -170:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -133:sc= -5.38! (180deg=-12.1!) USER MOD Single : A 46 ASN : amide:sc= -9.81! C(o=-9.8!,f=-5.7!) USER MOD Single : A 47 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.66) USER MOD Single : A 51 MET CE :methyl 170:sc= -3.24! (180deg=-3.4!) USER MOD Single : A 53 THR OG1 : rot 101:sc= 0.136 USER MOD Single : A 54 THR OG1 : rot -20:sc= -5.28! USER MOD Single : A 56 MET CE :methyl -154:sc= -0.333 (180deg=-1.7!) USER MOD Single : A 59 MET CE :methyl -115:sc= -6.81! (180deg=-8.54!) USER MOD Single : A 63 TYR OH : rot -34:sc= 0.798 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 1.934 -0.680 0.515 1.00 71.43 N ATOM 2 CA MET A 0 2.033 -0.386 -0.905 1.00 12.33 C ATOM 3 C MET A 0 1.161 -1.339 -1.725 1.00 14.54 C ATOM 4 O MET A 0 1.506 -2.506 -1.900 1.00 50.15 O ATOM 5 CB MET A 0 3.490 -0.514 -1.353 1.00 21.24 C ATOM 6 CG MET A 0 3.779 0.397 -2.547 1.00 73.15 C ATOM 7 SD MET A 0 2.858 -0.156 -3.973 1.00 52.11 S ATOM 8 CE MET A 0 4.169 -0.923 -4.910 1.00 73.54 C ATOM 0 H1 MET A 0 2.535 -0.020 1.049 1.00 71.43 H new ATOM 0 H2 MET A 0 0.946 -0.576 0.823 1.00 71.43 H new ATOM 0 H3 MET A 0 2.250 -1.655 0.691 1.00 71.43 H new ATOM 0 HA MET A 0 1.681 0.632 -1.071 1.00 12.33 H new ATOM 0 HB2 MET A 0 4.152 -0.257 -0.526 1.00 21.24 H new ATOM 0 HB3 MET A 0 3.702 -1.549 -1.621 1.00 21.24 H new ATOM 0 HG2 MET A 0 3.508 1.425 -2.305 1.00 73.15 H new ATOM 0 HG3 MET A 0 4.846 0.392 -2.769 1.00 73.15 H new ATOM 0 HE1 MET A 0 3.765 -1.325 -5.839 1.00 73.54 H new ATOM 0 HE2 MET A 0 4.935 -0.182 -5.138 1.00 73.54 H new ATOM 0 HE3 MET A 0 4.609 -1.732 -4.326 1.00 73.54 H new ATOM 18 N ASN A 1 0.047 -0.805 -2.205 1.00 32.15 N ATOM 19 CA ASN A 1 -0.878 -1.593 -3.002 1.00 24.43 C ATOM 20 C ASN A 1 -1.595 -0.678 -3.996 1.00 33.50 C ATOM 21 O ASN A 1 -2.396 0.167 -3.600 1.00 74.14 O ATOM 22 CB ASN A 1 -1.937 -2.257 -2.120 1.00 72.43 C ATOM 23 CG ASN A 1 -1.349 -2.665 -0.768 1.00 42.20 C ATOM 24 OD1 ASN A 1 -1.684 -2.124 0.273 1.00 55.33 O ATOM 25 ND2 ASN A 1 -0.454 -3.646 -0.841 1.00 34.51 N ATOM 0 H ASN A 1 -0.236 0.164 -2.057 1.00 32.15 H new ATOM 0 HA ASN A 1 -0.306 -2.363 -3.520 1.00 24.43 H new ATOM 0 HB2 ASN A 1 -2.769 -1.570 -1.966 1.00 72.43 H new ATOM 0 HB3 ASN A 1 -2.338 -3.135 -2.626 1.00 72.43 H new ATOM 0 HD21 ASN A 1 -0.003 -3.989 0.007 1.00 34.51 H new ATOM 0 HD22 ASN A 1 -0.219 -4.056 -1.745 1.00 34.51 H new ATOM 32 N GLN A 2 -1.282 -0.879 -5.268 1.00 12.53 N ATOM 33 CA GLN A 2 -1.887 -0.082 -6.322 1.00 33.04 C ATOM 34 C GLN A 2 -3.376 -0.412 -6.448 1.00 10.20 C ATOM 35 O GLN A 2 -3.740 -1.537 -6.788 1.00 4.41 O ATOM 36 CB GLN A 2 -1.164 -0.294 -7.653 1.00 40.00 C ATOM 37 CG GLN A 2 -1.981 0.270 -8.817 1.00 74.10 C ATOM 38 CD GLN A 2 -2.065 1.796 -8.740 1.00 65.32 C ATOM 39 OE1 GLN A 2 -1.080 2.504 -8.874 1.00 13.34 O ATOM 40 NE2 GLN A 2 -3.291 2.260 -8.518 1.00 41.23 N ATOM 0 H GLN A 2 -0.618 -1.582 -5.592 1.00 12.53 H new ATOM 0 HA GLN A 2 -1.789 0.971 -6.057 1.00 33.04 H new ATOM 0 HB2 GLN A 2 -0.188 0.189 -7.622 1.00 40.00 H new ATOM 0 HB3 GLN A 2 -0.988 -1.358 -7.810 1.00 40.00 H new ATOM 0 HG2 GLN A 2 -1.526 -0.025 -9.762 1.00 74.10 H new ATOM 0 HG3 GLN A 2 -2.985 -0.154 -8.800 1.00 74.10 H new ATOM 0 HE21 GLN A 2 -4.071 1.611 -8.416 1.00 41.23 H new ATOM 0 HE22 GLN A 2 -3.451 3.265 -8.450 1.00 41.23 H new ATOM 49 N GLU A 3 -4.197 0.589 -6.167 1.00 51.45 N ATOM 50 CA GLU A 3 -5.638 0.420 -6.245 1.00 72.15 C ATOM 51 C GLU A 3 -6.146 0.825 -7.631 1.00 11.34 C ATOM 52 O GLU A 3 -6.050 1.990 -8.015 1.00 24.14 O ATOM 53 CB GLU A 3 -6.344 1.217 -5.147 1.00 53.54 C ATOM 54 CG GLU A 3 -6.770 0.306 -3.995 1.00 23.33 C ATOM 55 CD GLU A 3 -7.852 0.970 -3.141 1.00 4.02 C ATOM 56 OE1 GLU A 3 -8.540 0.285 -2.369 1.00 41.34 O ATOM 57 OE2 GLU A 3 -7.964 2.245 -3.299 1.00 13.32 O ATOM 0 H GLU A 3 -3.892 1.520 -5.885 1.00 51.45 H new ATOM 0 HA GLU A 3 -5.870 -0.634 -6.089 1.00 72.15 H new ATOM 0 HB2 GLU A 3 -5.679 1.995 -4.773 1.00 53.54 H new ATOM 0 HB3 GLU A 3 -7.219 1.718 -5.562 1.00 53.54 H new ATOM 0 HG2 GLU A 3 -7.144 -0.638 -4.392 1.00 23.33 H new ATOM 0 HG3 GLU A 3 -5.906 0.071 -3.374 1.00 23.33 H new ATOM 65 N SER A 4 -6.676 -0.158 -8.343 1.00 32.23 N ATOM 66 CA SER A 4 -7.200 0.082 -9.677 1.00 25.42 C ATOM 67 C SER A 4 -8.726 0.168 -9.632 1.00 75.53 C ATOM 68 O SER A 4 -9.362 -0.456 -8.784 1.00 75.21 O ATOM 69 CB SER A 4 -6.758 -1.016 -10.647 1.00 43.31 C ATOM 70 OG SER A 4 -5.355 -1.259 -10.575 1.00 35.42 O ATOM 0 H SER A 4 -6.754 -1.123 -8.021 1.00 32.23 H new ATOM 0 HA SER A 4 -6.800 1.030 -10.037 1.00 25.42 H new ATOM 0 HB2 SER A 4 -7.297 -1.936 -10.423 1.00 43.31 H new ATOM 0 HB3 SER A 4 -7.025 -0.730 -11.664 1.00 43.31 H new ATOM 0 HG SER A 4 -4.894 -0.715 -11.247 1.00 35.42 H new ATOM 76 N VAL A 5 -9.271 0.945 -10.557 1.00 4.55 N ATOM 77 CA VAL A 5 -10.711 1.121 -10.634 1.00 1.15 C ATOM 78 C VAL A 5 -11.375 -0.239 -10.854 1.00 32.43 C ATOM 79 O VAL A 5 -10.874 -1.062 -11.618 1.00 73.35 O ATOM 80 CB VAL A 5 -11.057 2.138 -11.723 1.00 5.41 C ATOM 81 CG1 VAL A 5 -12.565 2.184 -11.971 1.00 55.42 C ATOM 82 CG2 VAL A 5 -10.516 3.525 -11.369 1.00 54.50 C ATOM 0 H VAL A 5 -8.741 1.460 -11.260 1.00 4.55 H new ATOM 0 HA VAL A 5 -11.097 1.524 -9.698 1.00 1.15 H new ATOM 0 HB VAL A 5 -10.576 1.817 -12.647 1.00 5.41 H new ATOM 0 HG11 VAL A 5 -12.784 2.915 -12.750 1.00 55.42 H new ATOM 0 HG12 VAL A 5 -12.912 1.201 -12.289 1.00 55.42 H new ATOM 0 HG13 VAL A 5 -13.076 2.469 -11.052 1.00 55.42 H new ATOM 0 HG21 VAL A 5 -10.775 4.229 -12.159 1.00 54.50 H new ATOM 0 HG22 VAL A 5 -10.955 3.857 -10.428 1.00 54.50 H new ATOM 0 HG23 VAL A 5 -9.432 3.478 -11.267 1.00 54.50 H new ATOM 92 N VAL A 6 -12.493 -0.434 -10.170 1.00 20.05 N ATOM 93 CA VAL A 6 -13.231 -1.681 -10.281 1.00 11.33 C ATOM 94 C VAL A 6 -14.725 -1.374 -10.409 1.00 24.41 C ATOM 95 O VAL A 6 -15.285 -0.647 -9.590 1.00 74.52 O ATOM 96 CB VAL A 6 -12.907 -2.589 -9.093 1.00 2.45 C ATOM 97 CG1 VAL A 6 -13.660 -3.916 -9.195 1.00 72.24 C ATOM 98 CG2 VAL A 6 -11.399 -2.821 -8.976 1.00 31.13 C ATOM 0 H VAL A 6 -12.906 0.251 -9.537 1.00 20.05 H new ATOM 0 HA VAL A 6 -12.932 -2.223 -11.178 1.00 11.33 H new ATOM 0 HB VAL A 6 -13.240 -2.085 -8.186 1.00 2.45 H new ATOM 0 HG11 VAL A 6 -13.411 -4.542 -8.338 1.00 72.24 H new ATOM 0 HG12 VAL A 6 -14.733 -3.725 -9.206 1.00 72.24 H new ATOM 0 HG13 VAL A 6 -13.373 -4.428 -10.114 1.00 72.24 H new ATOM 0 HG21 VAL A 6 -11.196 -3.469 -8.124 1.00 31.13 H new ATOM 0 HG22 VAL A 6 -11.032 -3.293 -9.887 1.00 31.13 H new ATOM 0 HG23 VAL A 6 -10.894 -1.866 -8.834 1.00 31.13 H new ATOM 108 N ALA A 7 -15.326 -1.944 -11.443 1.00 34.35 N ATOM 109 CA ALA A 7 -16.744 -1.741 -11.688 1.00 60.25 C ATOM 110 C ALA A 7 -17.520 -1.971 -10.390 1.00 74.13 C ATOM 111 O ALA A 7 -17.691 -3.110 -9.958 1.00 61.12 O ATOM 112 CB ALA A 7 -17.205 -2.668 -12.815 1.00 64.03 C ATOM 0 H ALA A 7 -14.858 -2.546 -12.120 1.00 34.35 H new ATOM 0 HA ALA A 7 -16.935 -0.717 -12.009 1.00 60.25 H new ATOM 0 HB1 ALA A 7 -18.269 -2.516 -12.999 1.00 64.03 H new ATOM 0 HB2 ALA A 7 -16.644 -2.444 -13.722 1.00 64.03 H new ATOM 0 HB3 ALA A 7 -17.031 -3.705 -12.527 1.00 64.03 H new ATOM 118 N ALA A 8 -17.970 -0.871 -9.805 1.00 34.13 N ATOM 119 CA ALA A 8 -18.725 -0.938 -8.565 1.00 23.44 C ATOM 120 C ALA A 8 -20.031 -1.696 -8.808 1.00 73.31 C ATOM 121 O ALA A 8 -20.585 -2.297 -7.889 1.00 14.35 O ATOM 122 CB ALA A 8 -18.962 0.477 -8.034 1.00 23.23 C ATOM 0 H ALA A 8 -17.826 0.072 -10.167 1.00 34.13 H new ATOM 0 HA ALA A 8 -18.165 -1.482 -7.804 1.00 23.44 H new ATOM 0 HB1 ALA A 8 -19.528 0.427 -7.104 1.00 23.23 H new ATOM 0 HB2 ALA A 8 -18.003 0.962 -7.849 1.00 23.23 H new ATOM 0 HB3 ALA A 8 -19.524 1.052 -8.770 1.00 23.23 H new ATOM 128 N GLN A 9 -20.486 -1.644 -10.051 1.00 43.25 N ATOM 129 CA GLN A 9 -21.717 -2.318 -10.427 1.00 42.14 C ATOM 130 C GLN A 9 -21.726 -2.608 -11.930 1.00 1.33 C ATOM 131 O GLN A 9 -20.801 -2.226 -12.645 1.00 2.23 O ATOM 132 CB GLN A 9 -22.940 -1.493 -10.021 1.00 23.43 C ATOM 133 CG GLN A 9 -22.621 0.003 -10.033 1.00 2.01 C ATOM 134 CD GLN A 9 -23.800 0.819 -9.501 1.00 13.34 C ATOM 135 OE1 GLN A 9 -23.917 1.091 -8.317 1.00 5.11 O ATOM 136 NE2 GLN A 9 -24.666 1.194 -10.438 1.00 60.12 N ATOM 0 H GLN A 9 -20.024 -1.145 -10.811 1.00 43.25 H new ATOM 0 HA GLN A 9 -21.766 -3.267 -9.893 1.00 42.14 H new ATOM 0 HB2 GLN A 9 -23.764 -1.698 -10.704 1.00 23.43 H new ATOM 0 HB3 GLN A 9 -23.269 -1.790 -9.025 1.00 23.43 H new ATOM 0 HG2 GLN A 9 -21.737 0.195 -9.425 1.00 2.01 H new ATOM 0 HG3 GLN A 9 -22.384 0.320 -11.049 1.00 2.01 H new ATOM 0 HE21 GLN A 9 -24.509 0.933 -11.411 1.00 60.12 H new ATOM 0 HE22 GLN A 9 -25.487 1.743 -10.183 1.00 60.12 H new ATOM 145 N LEU A 10 -22.782 -3.280 -12.364 1.00 24.31 N ATOM 146 CA LEU A 10 -22.923 -3.626 -13.768 1.00 52.42 C ATOM 147 C LEU A 10 -22.899 -2.347 -14.608 1.00 64.23 C ATOM 148 O LEU A 10 -23.800 -1.516 -14.507 1.00 62.22 O ATOM 149 CB LEU A 10 -24.173 -4.481 -13.986 1.00 51.22 C ATOM 150 CG LEU A 10 -24.490 -4.848 -15.437 1.00 64.34 C ATOM 151 CD1 LEU A 10 -23.758 -6.126 -15.851 1.00 63.43 C ATOM 152 CD2 LEU A 10 -26.000 -4.955 -15.659 1.00 64.11 C ATOM 0 H LEU A 10 -23.548 -3.594 -11.768 1.00 24.31 H new ATOM 0 HA LEU A 10 -22.084 -4.240 -14.096 1.00 52.42 H new ATOM 0 HB2 LEU A 10 -24.063 -5.403 -13.415 1.00 51.22 H new ATOM 0 HB3 LEU A 10 -25.029 -3.949 -13.571 1.00 51.22 H new ATOM 0 HG LEU A 10 -24.127 -4.046 -16.079 1.00 64.34 H new ATOM 0 HD11 LEU A 10 -24.000 -6.365 -16.887 1.00 63.43 H new ATOM 0 HD12 LEU A 10 -22.683 -5.977 -15.755 1.00 63.43 H new ATOM 0 HD13 LEU A 10 -24.069 -6.948 -15.207 1.00 63.43 H new ATOM 0 HD21 LEU A 10 -26.197 -5.217 -16.699 1.00 64.11 H new ATOM 0 HD22 LEU A 10 -26.410 -5.726 -15.007 1.00 64.11 H new ATOM 0 HD23 LEU A 10 -26.470 -3.999 -15.430 1.00 64.11 H new ATOM 164 N ILE A 11 -21.857 -2.230 -15.419 1.00 11.33 N ATOM 165 CA ILE A 11 -21.703 -1.067 -16.276 1.00 12.51 C ATOM 166 C ILE A 11 -21.806 -1.500 -17.740 1.00 4.14 C ATOM 167 O ILE A 11 -20.902 -2.149 -18.263 1.00 63.22 O ATOM 168 CB ILE A 11 -20.407 -0.324 -15.944 1.00 14.24 C ATOM 169 CG1 ILE A 11 -20.426 0.193 -14.504 1.00 3.33 C ATOM 170 CG2 ILE A 11 -20.144 0.796 -16.952 1.00 4.42 C ATOM 171 CD1 ILE A 11 -19.020 0.184 -13.900 1.00 21.42 C ATOM 0 H ILE A 11 -21.112 -2.922 -15.500 1.00 11.33 H new ATOM 0 HA ILE A 11 -22.507 -0.353 -16.097 1.00 12.51 H new ATOM 0 HB ILE A 11 -19.579 -1.028 -16.023 1.00 14.24 H new ATOM 0 HG12 ILE A 11 -20.828 1.206 -14.483 1.00 3.33 H new ATOM 0 HG13 ILE A 11 -21.089 -0.426 -13.900 1.00 3.33 H new ATOM 0 HG21 ILE A 11 -19.217 1.308 -16.693 1.00 4.42 H new ATOM 0 HG22 ILE A 11 -20.057 0.372 -17.952 1.00 4.42 H new ATOM 0 HG23 ILE A 11 -20.970 1.507 -16.930 1.00 4.42 H new ATOM 0 HD11 ILE A 11 -19.061 0.556 -12.876 1.00 21.42 H new ATOM 0 HD12 ILE A 11 -18.630 -0.834 -13.901 1.00 21.42 H new ATOM 0 HD13 ILE A 11 -18.365 0.824 -14.492 1.00 21.42 H new ATOM 183 N PRO A 12 -22.944 -1.113 -18.375 1.00 70.12 N ATOM 184 CA PRO A 12 -23.176 -1.455 -19.768 1.00 54.42 C ATOM 185 C PRO A 12 -22.323 -0.587 -20.695 1.00 42.13 C ATOM 186 O PRO A 12 -21.746 0.409 -20.262 1.00 44.10 O ATOM 187 CB PRO A 12 -24.669 -1.258 -19.978 1.00 1.21 C ATOM 188 CG PRO A 12 -25.137 -0.373 -18.834 1.00 34.31 C ATOM 189 CD PRO A 12 -24.036 -0.343 -17.787 1.00 31.22 C ATOM 0 HA PRO A 12 -22.885 -2.479 -20.004 1.00 54.42 H new ATOM 0 HB2 PRO A 12 -24.870 -0.790 -20.942 1.00 1.21 H new ATOM 0 HB3 PRO A 12 -25.194 -2.213 -19.973 1.00 1.21 H new ATOM 0 HG2 PRO A 12 -25.350 0.634 -19.193 1.00 34.31 H new ATOM 0 HG3 PRO A 12 -26.061 -0.761 -18.405 1.00 34.31 H new ATOM 0 HD2 PRO A 12 -23.726 0.679 -17.567 1.00 31.22 H new ATOM 0 HD3 PRO A 12 -24.371 -0.784 -16.848 1.00 31.22 H new ATOM 197 N ILE A 13 -22.270 -0.997 -21.954 1.00 41.31 N ATOM 198 CA ILE A 13 -21.497 -0.269 -22.946 1.00 64.22 C ATOM 199 C ILE A 13 -22.187 1.063 -23.248 1.00 63.41 C ATOM 200 O ILE A 13 -23.411 1.123 -23.346 1.00 14.13 O ATOM 201 CB ILE A 13 -21.264 -1.136 -24.185 1.00 42.03 C ATOM 202 CG1 ILE A 13 -20.351 -0.426 -25.187 1.00 70.33 C ATOM 203 CG2 ILE A 13 -22.592 -1.556 -24.818 1.00 31.33 C ATOM 204 CD1 ILE A 13 -20.449 -1.072 -26.571 1.00 51.20 C ATOM 0 H ILE A 13 -22.750 -1.824 -22.310 1.00 41.31 H new ATOM 0 HA ILE A 13 -20.506 -0.034 -22.559 1.00 64.22 H new ATOM 0 HB ILE A 13 -20.753 -2.047 -23.873 1.00 42.03 H new ATOM 0 HG12 ILE A 13 -20.626 0.627 -25.253 1.00 70.33 H new ATOM 0 HG13 ILE A 13 -19.320 -0.465 -24.836 1.00 70.33 H new ATOM 0 HG21 ILE A 13 -22.398 -2.171 -25.697 1.00 31.33 H new ATOM 0 HG22 ILE A 13 -23.174 -2.128 -24.096 1.00 31.33 H new ATOM 0 HG23 ILE A 13 -23.151 -0.668 -25.113 1.00 31.33 H new ATOM 0 HD11 ILE A 13 -19.791 -0.549 -27.264 1.00 51.20 H new ATOM 0 HD12 ILE A 13 -20.150 -2.118 -26.506 1.00 51.20 H new ATOM 0 HD13 ILE A 13 -21.476 -1.010 -26.930 1.00 51.20 H new ATOM 216 N ASN A 14 -21.371 2.097 -23.388 1.00 2.04 N ATOM 217 CA ASN A 14 -21.887 3.424 -23.676 1.00 54.14 C ATOM 218 C ASN A 14 -22.609 3.966 -22.441 1.00 24.04 C ATOM 219 O ASN A 14 -23.546 4.754 -22.560 1.00 62.30 O ATOM 220 CB ASN A 14 -22.891 3.385 -24.830 1.00 50.24 C ATOM 221 CG ASN A 14 -22.371 2.521 -25.981 1.00 22.13 C ATOM 222 OD1 ASN A 14 -21.230 2.623 -26.401 1.00 70.42 O ATOM 223 ND2 ASN A 14 -23.268 1.667 -26.464 1.00 73.14 N ATOM 0 H ASN A 14 -20.356 2.043 -23.307 1.00 2.04 H new ATOM 0 HA ASN A 14 -21.046 4.061 -23.950 1.00 54.14 H new ATOM 0 HB2 ASN A 14 -23.843 2.990 -24.475 1.00 50.24 H new ATOM 0 HB3 ASN A 14 -23.079 4.397 -25.187 1.00 50.24 H new ATOM 0 HD21 ASN A 14 -23.018 1.045 -27.233 1.00 73.14 H new ATOM 0 HD22 ASN A 14 -24.206 1.633 -26.066 1.00 73.14 H new ATOM 230 N THR A 15 -22.144 3.522 -21.282 1.00 12.32 N ATOM 231 CA THR A 15 -22.733 3.953 -20.025 1.00 73.12 C ATOM 232 C THR A 15 -21.811 4.947 -19.317 1.00 22.33 C ATOM 233 O THR A 15 -20.733 4.577 -18.853 1.00 51.02 O ATOM 234 CB THR A 15 -23.036 2.705 -19.193 1.00 52.31 C ATOM 235 OG1 THR A 15 -23.780 1.871 -20.077 1.00 24.52 O ATOM 236 CG2 THR A 15 -24.006 2.989 -18.044 1.00 72.13 C ATOM 0 H THR A 15 -21.367 2.869 -21.187 1.00 12.32 H new ATOM 0 HA THR A 15 -23.669 4.487 -20.189 1.00 73.12 H new ATOM 0 HB THR A 15 -22.106 2.301 -18.792 1.00 52.31 H new ATOM 0 HG1 THR A 15 -24.598 2.335 -20.354 1.00 24.52 H new ATOM 0 HG21 THR A 15 -24.187 2.071 -17.485 1.00 72.13 H new ATOM 0 HG22 THR A 15 -23.574 3.738 -17.380 1.00 72.13 H new ATOM 0 HG23 THR A 15 -24.948 3.361 -18.447 1.00 72.13 H new ATOM 244 N ALA A 16 -22.268 6.189 -19.255 1.00 21.30 N ATOM 245 CA ALA A 16 -21.497 7.239 -18.611 1.00 31.43 C ATOM 246 C ALA A 16 -21.102 6.785 -17.204 1.00 1.10 C ATOM 247 O ALA A 16 -21.944 6.718 -16.310 1.00 30.00 O ATOM 248 CB ALA A 16 -22.310 8.535 -18.599 1.00 31.34 C ATOM 0 H ALA A 16 -23.163 6.492 -19.640 1.00 21.30 H new ATOM 0 HA ALA A 16 -20.579 7.436 -19.164 1.00 31.43 H new ATOM 0 HB1 ALA A 16 -21.732 9.323 -18.116 1.00 31.34 H new ATOM 0 HB2 ALA A 16 -22.540 8.830 -19.623 1.00 31.34 H new ATOM 0 HB3 ALA A 16 -23.238 8.377 -18.050 1.00 31.34 H new ATOM 254 N LEU A 17 -19.820 6.486 -17.052 1.00 33.53 N ATOM 255 CA LEU A 17 -19.303 6.040 -15.769 1.00 11.31 C ATOM 256 C LEU A 17 -19.697 7.048 -14.687 1.00 54.03 C ATOM 257 O LEU A 17 -19.837 8.238 -14.964 1.00 44.41 O ATOM 258 CB LEU A 17 -17.796 5.790 -15.856 1.00 52.13 C ATOM 259 CG LEU A 17 -17.360 4.630 -16.754 1.00 1.14 C ATOM 260 CD1 LEU A 17 -15.868 4.721 -17.080 1.00 71.14 C ATOM 261 CD2 LEU A 17 -17.728 3.284 -16.127 1.00 75.32 C ATOM 0 H LEU A 17 -19.124 6.544 -17.796 1.00 33.53 H new ATOM 0 HA LEU A 17 -19.746 5.084 -15.492 1.00 11.31 H new ATOM 0 HB2 LEU A 17 -17.317 6.701 -16.214 1.00 52.13 H new ATOM 0 HB3 LEU A 17 -17.419 5.606 -14.850 1.00 52.13 H new ATOM 0 HG LEU A 17 -17.901 4.705 -17.697 1.00 1.14 H new ATOM 0 HD11 LEU A 17 -15.584 3.885 -17.719 1.00 71.14 H new ATOM 0 HD12 LEU A 17 -15.665 5.659 -17.597 1.00 71.14 H new ATOM 0 HD13 LEU A 17 -15.291 4.684 -16.156 1.00 71.14 H new ATOM 0 HD21 LEU A 17 -17.407 2.476 -16.785 1.00 75.32 H new ATOM 0 HD22 LEU A 17 -17.232 3.184 -15.162 1.00 75.32 H new ATOM 0 HD23 LEU A 17 -18.808 3.231 -15.987 1.00 75.32 H new ATOM 273 N THR A 18 -19.866 6.534 -13.478 1.00 13.11 N ATOM 274 CA THR A 18 -20.242 7.374 -12.353 1.00 41.24 C ATOM 275 C THR A 18 -19.549 6.896 -11.076 1.00 1.31 C ATOM 276 O THR A 18 -19.079 5.761 -11.007 1.00 54.53 O ATOM 277 CB THR A 18 -21.769 7.375 -12.253 1.00 25.22 C ATOM 278 OG1 THR A 18 -22.136 6.029 -12.544 1.00 52.31 O ATOM 279 CG2 THR A 18 -22.428 8.191 -13.366 1.00 74.33 C ATOM 0 H THR A 18 -19.750 5.546 -13.252 1.00 13.11 H new ATOM 0 HA THR A 18 -19.911 8.402 -12.499 1.00 41.24 H new ATOM 0 HB THR A 18 -22.070 7.775 -11.284 1.00 25.22 H new ATOM 0 HG1 THR A 18 -23.078 5.998 -12.813 1.00 52.31 H new ATOM 0 HG21 THR A 18 -23.511 8.159 -13.248 1.00 74.33 H new ATOM 0 HG22 THR A 18 -22.088 9.225 -13.310 1.00 74.33 H new ATOM 0 HG23 THR A 18 -22.156 7.772 -14.335 1.00 74.33 H new ATOM 287 N LEU A 19 -19.507 7.786 -10.095 1.00 41.33 N ATOM 288 CA LEU A 19 -18.879 7.470 -8.824 1.00 32.33 C ATOM 289 C LEU A 19 -19.682 6.372 -8.123 1.00 13.23 C ATOM 290 O LEU A 19 -19.200 5.755 -7.174 1.00 15.53 O ATOM 291 CB LEU A 19 -18.704 8.736 -7.983 1.00 21.12 C ATOM 292 CG LEU A 19 -17.699 8.643 -6.833 1.00 11.35 C ATOM 293 CD1 LEU A 19 -16.367 8.065 -7.313 1.00 71.44 C ATOM 294 CD2 LEU A 19 -17.521 10.001 -6.150 1.00 31.25 C ATOM 0 H LEU A 19 -19.898 8.726 -10.155 1.00 41.33 H new ATOM 0 HA LEU A 19 -17.874 7.079 -8.982 1.00 32.33 H new ATOM 0 HB2 LEU A 19 -18.397 9.547 -8.643 1.00 21.12 H new ATOM 0 HB3 LEU A 19 -19.674 9.011 -7.570 1.00 21.12 H new ATOM 0 HG LEU A 19 -18.097 7.956 -6.087 1.00 11.35 H new ATOM 0 HD11 LEU A 19 -15.671 8.010 -6.476 1.00 71.44 H new ATOM 0 HD12 LEU A 19 -16.528 7.066 -7.717 1.00 71.44 H new ATOM 0 HD13 LEU A 19 -15.950 8.707 -8.089 1.00 71.44 H new ATOM 0 HD21 LEU A 19 -16.802 9.908 -5.336 1.00 31.25 H new ATOM 0 HD22 LEU A 19 -17.156 10.728 -6.875 1.00 31.25 H new ATOM 0 HD23 LEU A 19 -18.479 10.336 -5.751 1.00 31.25 H new ATOM 306 N VAL A 20 -20.893 6.162 -8.617 1.00 73.02 N ATOM 307 CA VAL A 20 -21.768 5.150 -8.050 1.00 61.41 C ATOM 308 C VAL A 20 -21.660 3.867 -8.878 1.00 14.32 C ATOM 309 O VAL A 20 -22.341 2.883 -8.595 1.00 31.32 O ATOM 310 CB VAL A 20 -23.198 5.685 -7.960 1.00 34.21 C ATOM 311 CG1 VAL A 20 -23.207 7.163 -7.566 1.00 2.11 C ATOM 312 CG2 VAL A 20 -23.951 5.463 -9.274 1.00 4.04 C ATOM 0 H VAL A 20 -21.289 6.676 -9.404 1.00 73.02 H new ATOM 0 HA VAL A 20 -21.462 4.907 -7.032 1.00 61.41 H new ATOM 0 HB VAL A 20 -23.715 5.127 -7.179 1.00 34.21 H new ATOM 0 HG11 VAL A 20 -24.236 7.518 -7.509 1.00 2.11 H new ATOM 0 HG12 VAL A 20 -22.727 7.284 -6.595 1.00 2.11 H new ATOM 0 HG13 VAL A 20 -22.664 7.742 -8.313 1.00 2.11 H new ATOM 0 HG21 VAL A 20 -24.965 5.853 -9.183 1.00 4.04 H new ATOM 0 HG22 VAL A 20 -23.434 5.982 -10.082 1.00 4.04 H new ATOM 0 HG23 VAL A 20 -23.991 4.396 -9.495 1.00 4.04 H new ATOM 322 N MET A 21 -20.800 3.921 -9.884 1.00 73.11 N ATOM 323 CA MET A 21 -20.595 2.776 -10.755 1.00 21.01 C ATOM 324 C MET A 21 -19.115 2.392 -10.817 1.00 10.44 C ATOM 325 O MET A 21 -18.733 1.497 -11.568 1.00 70.41 O ATOM 326 CB MET A 21 -21.095 3.108 -12.162 1.00 54.40 C ATOM 327 CG MET A 21 -22.625 3.111 -12.214 1.00 24.33 C ATOM 328 SD MET A 21 -23.179 2.809 -13.883 1.00 75.51 S ATOM 329 CE MET A 21 -22.189 4.007 -14.761 1.00 21.55 C ATOM 0 H MET A 21 -20.237 4.739 -10.116 1.00 73.11 H new ATOM 0 HA MET A 21 -21.154 1.932 -10.351 1.00 21.01 H new ATOM 0 HB2 MET A 21 -20.715 4.083 -12.466 1.00 54.40 H new ATOM 0 HB3 MET A 21 -20.705 2.379 -12.872 1.00 54.40 H new ATOM 0 HG2 MET A 21 -23.021 2.346 -11.546 1.00 24.33 H new ATOM 0 HG3 MET A 21 -23.007 4.070 -11.863 1.00 24.33 H new ATOM 0 HE1 MET A 21 -21.821 3.566 -15.687 1.00 21.55 H new ATOM 0 HE2 MET A 21 -22.797 4.882 -14.992 1.00 21.55 H new ATOM 0 HE3 MET A 21 -21.344 4.305 -14.141 1.00 21.55 H new ATOM 339 N MET A 22 -18.322 3.090 -10.016 1.00 71.43 N ATOM 340 CA MET A 22 -16.893 2.833 -9.970 1.00 45.34 C ATOM 341 C MET A 22 -16.396 2.752 -8.525 1.00 51.14 C ATOM 342 O MET A 22 -17.023 3.298 -7.618 1.00 62.44 O ATOM 343 CB MET A 22 -16.149 3.952 -10.704 1.00 34.34 C ATOM 344 CG MET A 22 -16.282 3.795 -12.220 1.00 4.40 C ATOM 345 SD MET A 22 -15.250 4.993 -13.049 1.00 55.33 S ATOM 346 CE MET A 22 -16.091 6.499 -12.587 1.00 23.32 C ATOM 0 H MET A 22 -18.642 3.833 -9.394 1.00 71.43 H new ATOM 0 HA MET A 22 -16.699 1.876 -10.455 1.00 45.34 H new ATOM 0 HB2 MET A 22 -16.547 4.920 -10.399 1.00 34.34 H new ATOM 0 HB3 MET A 22 -15.096 3.938 -10.424 1.00 34.34 H new ATOM 0 HG2 MET A 22 -15.993 2.787 -12.516 1.00 4.40 H new ATOM 0 HG3 MET A 22 -17.322 3.930 -12.518 1.00 4.40 H new ATOM 0 HE1 MET A 22 -15.873 7.277 -13.319 1.00 23.32 H new ATOM 0 HE2 MET A 22 -17.166 6.321 -12.556 1.00 23.32 H new ATOM 0 HE3 MET A 22 -15.748 6.820 -11.604 1.00 23.32 H new ATOM 356 N THR A 23 -15.275 2.067 -8.356 1.00 62.12 N ATOM 357 CA THR A 23 -14.687 1.907 -7.037 1.00 11.41 C ATOM 358 C THR A 23 -13.218 1.496 -7.154 1.00 32.42 C ATOM 359 O THR A 23 -12.659 1.482 -8.249 1.00 42.32 O ATOM 360 CB THR A 23 -15.539 0.904 -6.258 1.00 34.31 C ATOM 361 OG1 THR A 23 -14.916 0.838 -4.978 1.00 40.32 O ATOM 362 CG2 THR A 23 -15.415 -0.519 -6.806 1.00 35.51 C ATOM 0 H THR A 23 -14.758 1.616 -9.111 1.00 62.12 H new ATOM 0 HA THR A 23 -14.685 2.849 -6.488 1.00 11.41 H new ATOM 0 HB THR A 23 -16.583 1.215 -6.288 1.00 34.31 H new ATOM 0 HG1 THR A 23 -15.407 0.210 -4.407 1.00 40.32 H new ATOM 0 HG21 THR A 23 -16.039 -1.191 -6.218 1.00 35.51 H new ATOM 0 HG22 THR A 23 -15.741 -0.538 -7.846 1.00 35.51 H new ATOM 0 HG23 THR A 23 -14.376 -0.843 -6.745 1.00 35.51 H new ATOM 370 N THR A 24 -12.635 1.170 -6.009 1.00 75.45 N ATOM 371 CA THR A 24 -11.242 0.759 -5.970 1.00 34.54 C ATOM 372 C THR A 24 -11.112 -0.622 -5.323 1.00 10.22 C ATOM 373 O THR A 24 -11.922 -0.993 -4.475 1.00 73.11 O ATOM 374 CB THR A 24 -10.449 1.847 -5.244 1.00 62.10 C ATOM 375 OG1 THR A 24 -10.817 1.692 -3.876 1.00 60.43 O ATOM 376 CG2 THR A 24 -10.926 3.256 -5.601 1.00 15.13 C ATOM 0 H THR A 24 -13.102 1.182 -5.102 1.00 75.45 H new ATOM 0 HA THR A 24 -10.832 0.653 -6.974 1.00 34.54 H new ATOM 0 HB THR A 24 -9.391 1.749 -5.489 1.00 62.10 H new ATOM 0 HG1 THR A 24 -10.476 2.450 -3.358 1.00 60.43 H new ATOM 0 HG21 THR A 24 -10.330 3.990 -5.059 1.00 15.13 H new ATOM 0 HG22 THR A 24 -10.813 3.418 -6.673 1.00 15.13 H new ATOM 0 HG23 THR A 24 -11.975 3.366 -5.326 1.00 15.13 H new ATOM 384 N ARG A 25 -10.086 -1.344 -5.748 1.00 30.55 N ATOM 385 CA ARG A 25 -9.839 -2.676 -5.220 1.00 51.23 C ATOM 386 C ARG A 25 -8.592 -3.281 -5.869 1.00 12.43 C ATOM 387 O ARG A 25 -8.418 -3.198 -7.083 1.00 43.25 O ATOM 388 CB ARG A 25 -11.034 -3.598 -5.471 1.00 50.20 C ATOM 389 CG ARG A 25 -11.287 -4.507 -4.267 1.00 31.13 C ATOM 390 CD ARG A 25 -10.642 -5.880 -4.471 1.00 12.51 C ATOM 391 NE ARG A 25 -11.325 -6.889 -3.632 1.00 30.34 N ATOM 392 CZ ARG A 25 -10.742 -8.022 -3.186 1.00 22.24 C ATOM 393 NH1 ARG A 25 -9.458 -8.300 -3.496 1.00 5.43 N ATOM 394 NH2 ARG A 25 -11.446 -8.855 -2.442 1.00 12.21 N ATOM 0 H ARG A 25 -9.416 -1.033 -6.451 1.00 30.55 H new ATOM 0 HA ARG A 25 -9.685 -2.584 -4.145 1.00 51.23 H new ATOM 0 HB2 ARG A 25 -11.923 -3.000 -5.673 1.00 50.20 H new ATOM 0 HB3 ARG A 25 -10.850 -4.205 -6.357 1.00 50.20 H new ATOM 0 HG2 ARG A 25 -10.886 -4.043 -3.366 1.00 31.13 H new ATOM 0 HG3 ARG A 25 -12.360 -4.624 -4.114 1.00 31.13 H new ATOM 0 HD2 ARG A 25 -10.702 -6.167 -5.521 1.00 12.51 H new ATOM 0 HD3 ARG A 25 -9.584 -5.836 -4.213 1.00 12.51 H new ATOM 0 HE ARG A 25 -12.297 -6.718 -3.374 1.00 30.34 H new ATOM 0 HH11 ARG A 25 -8.920 -7.652 -4.071 1.00 5.43 H new ATOM 0 HH12 ARG A 25 -9.025 -9.158 -3.155 1.00 5.43 H new ATOM 0 HH21 ARG A 25 -12.416 -8.638 -2.212 1.00 12.21 H new ATOM 0 HH22 ARG A 25 -11.020 -9.715 -2.097 1.00 12.21 H new ATOM 407 N VAL A 26 -7.757 -3.875 -5.029 1.00 72.45 N ATOM 408 CA VAL A 26 -6.532 -4.494 -5.506 1.00 4.13 C ATOM 409 C VAL A 26 -6.878 -5.749 -6.309 1.00 23.21 C ATOM 410 O VAL A 26 -7.007 -6.835 -5.746 1.00 3.04 O ATOM 411 CB VAL A 26 -5.596 -4.776 -4.328 1.00 72.53 C ATOM 412 CG1 VAL A 26 -4.162 -5.005 -4.810 1.00 32.21 C ATOM 413 CG2 VAL A 26 -5.655 -3.647 -3.298 1.00 12.01 C ATOM 0 H VAL A 26 -7.905 -3.941 -4.022 1.00 72.45 H new ATOM 0 HA VAL A 26 -5.998 -3.819 -6.174 1.00 4.13 H new ATOM 0 HB VAL A 26 -5.936 -5.690 -3.842 1.00 72.53 H new ATOM 0 HG11 VAL A 26 -3.518 -5.203 -3.954 1.00 32.21 H new ATOM 0 HG12 VAL A 26 -4.138 -5.859 -5.488 1.00 32.21 H new ATOM 0 HG13 VAL A 26 -3.808 -4.117 -5.333 1.00 32.21 H new ATOM 0 HG21 VAL A 26 -4.981 -3.873 -2.472 1.00 12.01 H new ATOM 0 HG22 VAL A 26 -5.353 -2.710 -3.767 1.00 12.01 H new ATOM 0 HG23 VAL A 26 -6.673 -3.552 -2.920 1.00 12.01 H new ATOM 423 N VAL A 27 -7.018 -5.559 -7.613 1.00 11.25 N ATOM 424 CA VAL A 27 -7.347 -6.662 -8.499 1.00 23.20 C ATOM 425 C VAL A 27 -6.150 -6.956 -9.406 1.00 22.35 C ATOM 426 O VAL A 27 -5.232 -6.144 -9.511 1.00 53.13 O ATOM 427 CB VAL A 27 -8.624 -6.344 -9.279 1.00 62.23 C ATOM 428 CG1 VAL A 27 -9.758 -5.943 -8.334 1.00 72.22 C ATOM 429 CG2 VAL A 27 -8.371 -5.256 -10.325 1.00 23.30 C ATOM 0 H VAL A 27 -6.909 -4.657 -8.077 1.00 11.25 H new ATOM 0 HA VAL A 27 -7.550 -7.566 -7.925 1.00 23.20 H new ATOM 0 HB VAL A 27 -8.930 -7.249 -9.804 1.00 62.23 H new ATOM 0 HG11 VAL A 27 -10.654 -5.722 -8.914 1.00 72.22 H new ATOM 0 HG12 VAL A 27 -9.964 -6.762 -7.645 1.00 72.22 H new ATOM 0 HG13 VAL A 27 -9.465 -5.058 -7.769 1.00 72.22 H new ATOM 0 HG21 VAL A 27 -9.295 -5.049 -10.865 1.00 23.30 H new ATOM 0 HG22 VAL A 27 -8.029 -4.347 -9.829 1.00 23.30 H new ATOM 0 HG23 VAL A 27 -7.609 -5.596 -11.026 1.00 23.30 H new ATOM 439 N SER A 28 -6.198 -8.120 -10.036 1.00 70.35 N ATOM 440 CA SER A 28 -5.129 -8.532 -10.931 1.00 10.24 C ATOM 441 C SER A 28 -5.717 -9.190 -12.181 1.00 4.14 C ATOM 442 O SER A 28 -6.567 -10.073 -12.080 1.00 51.23 O ATOM 443 CB SER A 28 -4.164 -9.490 -10.230 1.00 45.03 C ATOM 444 OG SER A 28 -2.848 -9.414 -10.773 1.00 52.23 O ATOM 0 H SER A 28 -6.960 -8.791 -9.945 1.00 70.35 H new ATOM 0 HA SER A 28 -4.568 -7.645 -11.226 1.00 10.24 H new ATOM 0 HB2 SER A 28 -4.131 -9.257 -9.166 1.00 45.03 H new ATOM 0 HB3 SER A 28 -4.536 -10.511 -10.322 1.00 45.03 H new ATOM 0 HG SER A 28 -2.261 -10.039 -10.298 1.00 52.23 H new ATOM 450 N PRO A 29 -5.227 -8.723 -13.360 1.00 40.42 N ATOM 451 CA PRO A 29 -4.221 -7.675 -13.390 1.00 42.23 C ATOM 452 C PRO A 29 -4.838 -6.313 -13.067 1.00 2.51 C ATOM 453 O PRO A 29 -6.055 -6.146 -13.135 1.00 64.22 O ATOM 454 CB PRO A 29 -3.626 -7.741 -14.787 1.00 43.23 C ATOM 455 CG PRO A 29 -4.632 -8.504 -15.633 1.00 64.42 C ATOM 456 CD PRO A 29 -5.617 -9.177 -14.692 1.00 22.54 C ATOM 0 HA PRO A 29 -3.447 -7.813 -12.635 1.00 42.23 H new ATOM 0 HB2 PRO A 29 -3.458 -6.741 -15.187 1.00 43.23 H new ATOM 0 HB3 PRO A 29 -2.661 -8.247 -14.777 1.00 43.23 H new ATOM 0 HG2 PRO A 29 -5.153 -7.827 -16.310 1.00 64.42 H new ATOM 0 HG3 PRO A 29 -4.126 -9.246 -16.251 1.00 64.42 H new ATOM 0 HD2 PRO A 29 -6.643 -8.892 -14.923 1.00 22.54 H new ATOM 0 HD3 PRO A 29 -5.562 -10.263 -14.772 1.00 22.54 H new ATOM 464 N THR A 30 -3.970 -5.373 -12.722 1.00 11.42 N ATOM 465 CA THR A 30 -4.414 -4.030 -12.388 1.00 35.12 C ATOM 466 C THR A 30 -4.739 -3.244 -13.660 1.00 3.14 C ATOM 467 O THR A 30 -4.139 -3.478 -14.708 1.00 13.40 O ATOM 468 CB THR A 30 -3.333 -3.374 -11.527 1.00 64.43 C ATOM 469 OG1 THR A 30 -2.110 -3.849 -12.085 1.00 53.01 O ATOM 470 CG2 THR A 30 -3.321 -3.909 -10.094 1.00 25.32 C ATOM 0 H THR A 30 -2.961 -5.515 -12.667 1.00 11.42 H new ATOM 0 HA THR A 30 -5.339 -4.051 -11.812 1.00 35.12 H new ATOM 0 HB THR A 30 -3.487 -2.295 -11.510 1.00 64.43 H new ATOM 0 HG1 THR A 30 -1.355 -3.471 -11.588 1.00 53.01 H new ATOM 0 HG21 THR A 30 -2.536 -3.410 -9.526 1.00 25.32 H new ATOM 0 HG22 THR A 30 -4.286 -3.716 -9.625 1.00 25.32 H new ATOM 0 HG23 THR A 30 -3.133 -4.983 -10.108 1.00 25.32 H new ATOM 478 N GLY A 31 -5.686 -2.328 -13.525 1.00 54.12 N ATOM 479 CA GLY A 31 -6.098 -1.506 -14.651 1.00 4.35 C ATOM 480 C GLY A 31 -6.032 -0.019 -14.296 1.00 42.32 C ATOM 481 O GLY A 31 -5.133 0.412 -13.576 1.00 1.23 O ATOM 0 H GLY A 31 -6.180 -2.136 -12.653 1.00 54.12 H new ATOM 0 HA2 GLY A 31 -5.455 -1.708 -15.508 1.00 4.35 H new ATOM 0 HA3 GLY A 31 -7.114 -1.769 -14.945 1.00 4.35 H new ATOM 485 N ILE A 32 -6.996 0.725 -14.819 1.00 61.41 N ATOM 486 CA ILE A 32 -7.059 2.154 -14.567 1.00 42.30 C ATOM 487 C ILE A 32 -6.793 2.418 -13.084 1.00 14.35 C ATOM 488 O ILE A 32 -7.273 1.682 -12.223 1.00 22.02 O ATOM 489 CB ILE A 32 -8.386 2.728 -15.066 1.00 14.40 C ATOM 490 CG1 ILE A 32 -8.461 2.690 -16.594 1.00 21.53 C ATOM 491 CG2 ILE A 32 -8.615 4.138 -14.517 1.00 32.14 C ATOM 492 CD1 ILE A 32 -9.905 2.837 -17.076 1.00 53.31 C ATOM 0 H ILE A 32 -7.740 0.364 -15.416 1.00 61.41 H new ATOM 0 HA ILE A 32 -6.283 2.674 -15.128 1.00 42.30 H new ATOM 0 HB ILE A 32 -9.192 2.100 -14.688 1.00 14.40 H new ATOM 0 HG12 ILE A 32 -7.851 3.491 -17.012 1.00 21.53 H new ATOM 0 HG13 ILE A 32 -8.046 1.750 -16.959 1.00 21.53 H new ATOM 0 HG21 ILE A 32 -9.565 4.523 -14.887 1.00 32.14 H new ATOM 0 HG22 ILE A 32 -8.636 4.105 -13.428 1.00 32.14 H new ATOM 0 HG23 ILE A 32 -7.807 4.792 -14.845 1.00 32.14 H new ATOM 0 HD11 ILE A 32 -9.930 2.807 -18.165 1.00 53.31 H new ATOM 0 HD12 ILE A 32 -10.507 2.021 -16.676 1.00 53.31 H new ATOM 0 HD13 ILE A 32 -10.309 3.789 -16.730 1.00 53.31 H new ATOM 504 N PRO A 33 -6.010 3.499 -12.823 1.00 52.33 N ATOM 505 CA PRO A 33 -5.675 3.870 -11.459 1.00 32.31 C ATOM 506 C PRO A 33 -6.869 4.523 -10.759 1.00 61.22 C ATOM 507 O PRO A 33 -7.647 5.237 -11.389 1.00 12.51 O ATOM 508 CB PRO A 33 -4.480 4.800 -11.586 1.00 24.51 C ATOM 509 CG PRO A 33 -4.479 5.283 -13.027 1.00 1.21 C ATOM 510 CD PRO A 33 -5.425 4.394 -13.817 1.00 41.14 C ATOM 0 HA PRO A 33 -5.428 3.009 -10.838 1.00 32.31 H new ATOM 0 HB2 PRO A 33 -4.562 5.638 -10.893 1.00 24.51 H new ATOM 0 HB3 PRO A 33 -3.553 4.279 -11.348 1.00 24.51 H new ATOM 0 HG2 PRO A 33 -4.799 6.324 -13.081 1.00 1.21 H new ATOM 0 HG3 PRO A 33 -3.473 5.236 -13.445 1.00 1.21 H new ATOM 0 HD2 PRO A 33 -6.192 4.982 -14.321 1.00 41.14 H new ATOM 0 HD3 PRO A 33 -4.893 3.836 -14.588 1.00 41.14 H new ATOM 518 N ALA A 34 -6.976 4.254 -9.466 1.00 43.12 N ATOM 519 CA ALA A 34 -8.061 4.807 -8.674 1.00 73.22 C ATOM 520 C ALA A 34 -7.987 6.335 -8.711 1.00 21.55 C ATOM 521 O ALA A 34 -8.976 7.014 -8.440 1.00 43.42 O ATOM 522 CB ALA A 34 -7.987 4.253 -7.250 1.00 14.12 C ATOM 0 H ALA A 34 -6.329 3.660 -8.947 1.00 43.12 H new ATOM 0 HA ALA A 34 -9.026 4.514 -9.088 1.00 73.22 H new ATOM 0 HB1 ALA A 34 -8.801 4.668 -6.655 1.00 14.12 H new ATOM 0 HB2 ALA A 34 -8.074 3.167 -7.277 1.00 14.12 H new ATOM 0 HB3 ALA A 34 -7.033 4.529 -6.801 1.00 14.12 H new ATOM 528 N GLU A 35 -6.805 6.830 -9.047 1.00 21.42 N ATOM 529 CA GLU A 35 -6.588 8.265 -9.122 1.00 74.50 C ATOM 530 C GLU A 35 -7.297 8.845 -10.348 1.00 25.40 C ATOM 531 O GLU A 35 -7.299 10.058 -10.552 1.00 31.34 O ATOM 532 CB GLU A 35 -5.094 8.593 -9.145 1.00 54.23 C ATOM 533 CG GLU A 35 -4.298 7.582 -8.319 1.00 25.22 C ATOM 534 CD GLU A 35 -3.180 8.273 -7.535 1.00 50.21 C ATOM 535 OE1 GLU A 35 -2.132 8.603 -8.110 1.00 51.11 O ATOM 536 OE2 GLU A 35 -3.430 8.466 -6.284 1.00 52.54 O ATOM 0 H GLU A 35 -5.987 6.263 -9.270 1.00 21.42 H new ATOM 0 HA GLU A 35 -7.013 8.725 -8.230 1.00 74.50 H new ATOM 0 HB2 GLU A 35 -4.734 8.592 -10.174 1.00 54.23 H new ATOM 0 HB3 GLU A 35 -4.932 9.597 -8.752 1.00 54.23 H new ATOM 0 HG2 GLU A 35 -4.965 7.065 -7.629 1.00 25.22 H new ATOM 0 HG3 GLU A 35 -3.871 6.825 -8.977 1.00 25.22 H new ATOM 544 N ASP A 36 -7.880 7.951 -11.133 1.00 31.23 N ATOM 545 CA ASP A 36 -8.590 8.359 -12.333 1.00 70.21 C ATOM 546 C ASP A 36 -10.095 8.204 -12.108 1.00 33.43 C ATOM 547 O ASP A 36 -10.887 8.392 -13.030 1.00 13.12 O ATOM 548 CB ASP A 36 -8.198 7.487 -13.528 1.00 35.23 C ATOM 549 CG ASP A 36 -6.725 7.567 -13.931 1.00 62.41 C ATOM 550 OD1 ASP A 36 -6.324 7.061 -14.990 1.00 32.41 O ATOM 551 OD2 ASP A 36 -5.964 8.188 -13.095 1.00 43.34 O ATOM 0 H ASP A 36 -7.875 6.946 -10.961 1.00 31.23 H new ATOM 0 HA ASP A 36 -8.329 9.396 -12.543 1.00 70.21 H new ATOM 0 HB2 ASP A 36 -8.440 6.450 -13.297 1.00 35.23 H new ATOM 0 HB3 ASP A 36 -8.809 7.774 -14.384 1.00 35.23 H new ATOM 557 N ILE A 37 -10.445 7.862 -10.876 1.00 62.44 N ATOM 558 CA ILE A 37 -11.841 7.679 -10.518 1.00 52.02 C ATOM 559 C ILE A 37 -12.637 8.916 -10.938 1.00 50.35 C ATOM 560 O ILE A 37 -13.676 8.800 -11.586 1.00 60.14 O ATOM 561 CB ILE A 37 -11.973 7.338 -9.032 1.00 50.44 C ATOM 562 CG1 ILE A 37 -12.017 5.824 -8.819 1.00 21.01 C ATOM 563 CG2 ILE A 37 -13.184 8.040 -8.415 1.00 33.25 C ATOM 564 CD1 ILE A 37 -12.670 5.478 -7.479 1.00 75.25 C ATOM 0 H ILE A 37 -9.785 7.707 -10.114 1.00 62.44 H new ATOM 0 HA ILE A 37 -12.264 6.830 -11.055 1.00 52.02 H new ATOM 0 HB ILE A 37 -11.088 7.709 -8.515 1.00 50.44 H new ATOM 0 HG12 ILE A 37 -12.573 5.355 -9.631 1.00 21.01 H new ATOM 0 HG13 ILE A 37 -11.005 5.419 -8.850 1.00 21.01 H new ATOM 0 HG21 ILE A 37 -13.255 7.781 -7.359 1.00 33.25 H new ATOM 0 HG22 ILE A 37 -13.070 9.119 -8.517 1.00 33.25 H new ATOM 0 HG23 ILE A 37 -14.091 7.721 -8.929 1.00 33.25 H new ATOM 0 HD11 ILE A 37 -12.689 4.396 -7.352 1.00 75.25 H new ATOM 0 HD12 ILE A 37 -12.098 5.928 -6.668 1.00 75.25 H new ATOM 0 HD13 ILE A 37 -13.690 5.863 -7.461 1.00 75.25 H new ATOM 576 N PRO A 38 -12.105 10.104 -10.542 1.00 73.42 N ATOM 577 CA PRO A 38 -12.754 11.361 -10.871 1.00 15.32 C ATOM 578 C PRO A 38 -12.544 11.719 -12.343 1.00 63.14 C ATOM 579 O PRO A 38 -13.066 12.724 -12.823 1.00 2.23 O ATOM 580 CB PRO A 38 -12.146 12.379 -9.919 1.00 61.45 C ATOM 581 CG PRO A 38 -10.854 11.757 -9.415 1.00 21.51 C ATOM 582 CD PRO A 38 -10.876 10.280 -9.774 1.00 35.34 C ATOM 0 HA PRO A 38 -13.836 11.319 -10.750 1.00 15.32 H new ATOM 0 HB2 PRO A 38 -11.953 13.323 -10.428 1.00 61.45 H new ATOM 0 HB3 PRO A 38 -12.824 12.595 -9.093 1.00 61.45 H new ATOM 0 HG2 PRO A 38 -9.992 12.247 -9.868 1.00 21.51 H new ATOM 0 HG3 PRO A 38 -10.763 11.886 -8.336 1.00 21.51 H new ATOM 0 HD2 PRO A 38 -10.000 10.002 -10.360 1.00 35.34 H new ATOM 0 HD3 PRO A 38 -10.874 9.655 -8.881 1.00 35.34 H new ATOM 590 N ARG A 39 -11.778 10.876 -13.020 1.00 64.11 N ATOM 591 CA ARG A 39 -11.491 11.090 -14.429 1.00 14.35 C ATOM 592 C ARG A 39 -12.455 10.278 -15.296 1.00 32.13 C ATOM 593 O ARG A 39 -12.925 10.759 -16.326 1.00 23.21 O ATOM 594 CB ARG A 39 -10.053 10.691 -14.765 1.00 53.42 C ATOM 595 CG ARG A 39 -9.051 11.590 -14.038 1.00 65.50 C ATOM 596 CD ARG A 39 -7.710 11.622 -14.774 1.00 45.30 C ATOM 597 NE ARG A 39 -7.391 10.279 -15.307 1.00 35.45 N ATOM 598 CZ ARG A 39 -6.594 10.056 -16.373 1.00 4.35 C ATOM 599 NH1 ARG A 39 -6.025 11.089 -17.030 1.00 50.21 N ATOM 600 NH2 ARG A 39 -6.378 8.814 -16.762 1.00 63.24 N ATOM 0 H ARG A 39 -11.347 10.043 -12.619 1.00 64.11 H new ATOM 0 HA ARG A 39 -11.618 12.153 -14.636 1.00 14.35 H new ATOM 0 HB2 ARG A 39 -9.885 9.651 -14.484 1.00 53.42 H new ATOM 0 HB3 ARG A 39 -9.895 10.760 -15.841 1.00 53.42 H new ATOM 0 HG2 ARG A 39 -9.452 12.601 -13.961 1.00 65.50 H new ATOM 0 HG3 ARG A 39 -8.903 11.228 -13.021 1.00 65.50 H new ATOM 0 HD2 ARG A 39 -7.751 12.345 -15.589 1.00 45.30 H new ATOM 0 HD3 ARG A 39 -6.922 11.950 -14.096 1.00 45.30 H new ATOM 0 HE ARG A 39 -7.800 9.470 -14.839 1.00 35.45 H new ATOM 0 HH11 ARG A 39 -6.196 12.046 -16.722 1.00 50.21 H new ATOM 0 HH12 ARG A 39 -5.424 10.912 -17.835 1.00 50.21 H new ATOM 0 HH21 ARG A 39 -6.811 8.039 -16.259 1.00 63.24 H new ATOM 0 HH22 ARG A 39 -5.778 8.628 -17.566 1.00 63.24 H new ATOM 613 N LEU A 40 -12.721 9.060 -14.847 1.00 14.12 N ATOM 614 CA LEU A 40 -13.621 8.176 -15.569 1.00 2.31 C ATOM 615 C LEU A 40 -15.050 8.713 -15.464 1.00 44.54 C ATOM 616 O LEU A 40 -15.878 8.458 -16.337 1.00 41.12 O ATOM 617 CB LEU A 40 -13.468 6.736 -15.075 1.00 44.23 C ATOM 618 CG LEU A 40 -12.215 5.995 -15.548 1.00 34.20 C ATOM 619 CD1 LEU A 40 -12.151 5.947 -17.076 1.00 24.13 C ATOM 620 CD2 LEU A 40 -10.953 6.608 -14.940 1.00 4.33 C ATOM 0 H LEU A 40 -12.329 8.664 -13.992 1.00 14.12 H new ATOM 0 HA LEU A 40 -13.365 8.155 -16.628 1.00 2.31 H new ATOM 0 HB2 LEU A 40 -13.472 6.744 -13.985 1.00 44.23 H new ATOM 0 HB3 LEU A 40 -14.343 6.169 -15.392 1.00 44.23 H new ATOM 0 HG LEU A 40 -12.274 4.965 -15.196 1.00 34.20 H new ATOM 0 HD11 LEU A 40 -11.251 5.415 -17.386 1.00 24.13 H new ATOM 0 HD12 LEU A 40 -13.029 5.429 -17.461 1.00 24.13 H new ATOM 0 HD13 LEU A 40 -12.126 6.963 -17.471 1.00 24.13 H new ATOM 0 HD21 LEU A 40 -10.077 6.063 -15.292 1.00 4.33 H new ATOM 0 HD22 LEU A 40 -10.875 7.653 -15.240 1.00 4.33 H new ATOM 0 HD23 LEU A 40 -11.006 6.546 -13.853 1.00 4.33 H new ATOM 632 N ILE A 41 -15.294 9.448 -14.389 1.00 75.31 N ATOM 633 CA ILE A 41 -16.609 10.023 -14.159 1.00 42.13 C ATOM 634 C ILE A 41 -17.007 10.873 -15.368 1.00 10.15 C ATOM 635 O ILE A 41 -16.222 11.695 -15.839 1.00 32.41 O ATOM 636 CB ILE A 41 -16.635 10.788 -12.834 1.00 63.42 C ATOM 637 CG1 ILE A 41 -16.300 9.864 -11.662 1.00 22.45 C ATOM 638 CG2 ILE A 41 -17.975 11.500 -12.638 1.00 64.22 C ATOM 639 CD1 ILE A 41 -17.563 9.478 -10.890 1.00 31.55 C ATOM 0 H ILE A 41 -14.604 9.659 -13.668 1.00 75.31 H new ATOM 0 HA ILE A 41 -17.357 9.237 -14.061 1.00 42.13 H new ATOM 0 HB ILE A 41 -15.864 11.558 -12.868 1.00 63.42 H new ATOM 0 HG12 ILE A 41 -15.807 8.965 -12.032 1.00 22.45 H new ATOM 0 HG13 ILE A 41 -15.597 10.360 -10.992 1.00 22.45 H new ATOM 0 HG21 ILE A 41 -17.967 12.036 -11.689 1.00 64.22 H new ATOM 0 HG22 ILE A 41 -18.134 12.207 -13.452 1.00 64.22 H new ATOM 0 HG23 ILE A 41 -18.780 10.765 -12.633 1.00 64.22 H new ATOM 0 HD11 ILE A 41 -17.297 8.821 -10.062 1.00 31.55 H new ATOM 0 HD12 ILE A 41 -18.040 10.377 -10.501 1.00 31.55 H new ATOM 0 HD13 ILE A 41 -18.253 8.961 -11.557 1.00 31.55 H new ATOM 651 N SER A 42 -18.226 10.646 -15.834 1.00 51.52 N ATOM 652 CA SER A 42 -18.738 11.381 -16.978 1.00 51.35 C ATOM 653 C SER A 42 -18.319 10.687 -18.276 1.00 50.31 C ATOM 654 O SER A 42 -18.854 10.983 -19.343 1.00 51.23 O ATOM 655 CB SER A 42 -18.245 12.830 -16.968 1.00 73.42 C ATOM 656 OG SER A 42 -19.146 13.705 -17.642 1.00 31.24 O ATOM 0 H SER A 42 -18.874 9.964 -15.440 1.00 51.52 H new ATOM 0 HA SER A 42 -19.826 11.396 -16.916 1.00 51.35 H new ATOM 0 HB2 SER A 42 -18.119 13.163 -15.938 1.00 73.42 H new ATOM 0 HB3 SER A 42 -17.265 12.883 -17.442 1.00 73.42 H new ATOM 0 HG SER A 42 -18.797 14.620 -17.612 1.00 31.24 H new ATOM 662 N MET A 43 -17.366 9.777 -18.142 1.00 3.15 N ATOM 663 CA MET A 43 -16.869 9.039 -19.290 1.00 24.40 C ATOM 664 C MET A 43 -17.504 7.649 -19.365 1.00 72.21 C ATOM 665 O MET A 43 -17.483 6.899 -18.390 1.00 42.02 O ATOM 666 CB MET A 43 -15.348 8.900 -19.189 1.00 13.10 C ATOM 667 CG MET A 43 -14.727 10.138 -18.539 1.00 10.02 C ATOM 668 SD MET A 43 -13.152 10.500 -19.297 1.00 13.40 S ATOM 669 CE MET A 43 -12.490 8.849 -19.441 1.00 11.12 C ATOM 0 H MET A 43 -16.925 9.534 -17.255 1.00 3.15 H new ATOM 0 HA MET A 43 -17.134 9.589 -20.193 1.00 24.40 H new ATOM 0 HB2 MET A 43 -15.098 8.014 -18.605 1.00 13.10 H new ATOM 0 HB3 MET A 43 -14.925 8.756 -20.183 1.00 13.10 H new ATOM 0 HG2 MET A 43 -15.397 10.991 -18.648 1.00 10.02 H new ATOM 0 HG3 MET A 43 -14.596 9.970 -17.470 1.00 10.02 H new ATOM 0 HE1 MET A 43 -11.461 8.837 -19.082 1.00 11.12 H new ATOM 0 HE2 MET A 43 -13.091 8.163 -18.844 1.00 11.12 H new ATOM 0 HE3 MET A 43 -12.514 8.537 -20.485 1.00 11.12 H new ATOM 679 N GLN A 44 -18.055 7.347 -20.532 1.00 2.22 N ATOM 680 CA GLN A 44 -18.695 6.061 -20.747 1.00 33.22 C ATOM 681 C GLN A 44 -17.643 4.980 -21.003 1.00 41.10 C ATOM 682 O GLN A 44 -16.447 5.267 -21.029 1.00 71.02 O ATOM 683 CB GLN A 44 -19.698 6.134 -21.900 1.00 33.42 C ATOM 684 CG GLN A 44 -20.639 7.328 -21.733 1.00 53.53 C ATOM 685 CD GLN A 44 -20.907 8.007 -23.078 1.00 44.42 C ATOM 686 OE1 GLN A 44 -20.757 9.208 -23.237 1.00 72.24 O ATOM 687 NE2 GLN A 44 -21.309 7.175 -24.034 1.00 60.21 N ATOM 0 H GLN A 44 -18.071 7.971 -21.338 1.00 2.22 H new ATOM 0 HA GLN A 44 -19.247 5.797 -19.845 1.00 33.22 H new ATOM 0 HB2 GLN A 44 -19.164 6.217 -22.847 1.00 33.42 H new ATOM 0 HB3 GLN A 44 -20.278 5.212 -21.941 1.00 33.42 H new ATOM 0 HG2 GLN A 44 -21.580 6.995 -21.296 1.00 53.53 H new ATOM 0 HG3 GLN A 44 -20.201 8.046 -21.040 1.00 53.53 H new ATOM 0 HE21 GLN A 44 -21.414 6.180 -23.834 1.00 60.21 H new ATOM 0 HE22 GLN A 44 -21.512 7.531 -24.968 1.00 60.21 H new ATOM 696 N VAL A 45 -18.126 3.760 -21.186 1.00 12.05 N ATOM 697 CA VAL A 45 -17.242 2.635 -21.439 1.00 10.03 C ATOM 698 C VAL A 45 -17.420 2.168 -22.885 1.00 25.12 C ATOM 699 O VAL A 45 -18.527 2.196 -23.418 1.00 74.14 O ATOM 700 CB VAL A 45 -17.500 1.526 -20.416 1.00 40.34 C ATOM 701 CG1 VAL A 45 -16.873 1.871 -19.064 1.00 65.42 C ATOM 702 CG2 VAL A 45 -18.998 1.252 -20.272 1.00 32.42 C ATOM 0 H VAL A 45 -19.119 3.526 -21.164 1.00 12.05 H new ATOM 0 HA VAL A 45 -16.200 2.933 -21.319 1.00 10.03 H new ATOM 0 HB VAL A 45 -17.026 0.615 -20.782 1.00 40.34 H new ATOM 0 HG11 VAL A 45 -17.071 1.067 -18.355 1.00 65.42 H new ATOM 0 HG12 VAL A 45 -15.796 1.993 -19.183 1.00 65.42 H new ATOM 0 HG13 VAL A 45 -17.304 2.799 -18.689 1.00 65.42 H new ATOM 0 HG21 VAL A 45 -19.154 0.460 -19.539 1.00 32.42 H new ATOM 0 HG22 VAL A 45 -19.503 2.159 -19.940 1.00 32.42 H new ATOM 0 HG23 VAL A 45 -19.405 0.942 -21.234 1.00 32.42 H new ATOM 712 N ASN A 46 -16.311 1.749 -23.478 1.00 53.30 N ATOM 713 CA ASN A 46 -16.330 1.277 -24.852 1.00 34.31 C ATOM 714 C ASN A 46 -16.514 -0.242 -24.862 1.00 22.22 C ATOM 715 O ASN A 46 -15.998 -0.928 -25.743 1.00 41.42 O ATOM 716 CB ASN A 46 -15.015 1.599 -25.564 1.00 21.35 C ATOM 717 CG ASN A 46 -13.824 0.999 -24.812 1.00 53.35 C ATOM 718 OD1 ASN A 46 -13.613 -0.202 -24.789 1.00 34.24 O ATOM 719 ND2 ASN A 46 -13.060 1.901 -24.202 1.00 72.33 N ATOM 0 H ASN A 46 -15.394 1.727 -23.032 1.00 53.30 H new ATOM 0 HA ASN A 46 -17.150 1.776 -25.368 1.00 34.31 H new ATOM 0 HB2 ASN A 46 -15.042 1.208 -26.581 1.00 21.35 H new ATOM 0 HB3 ASN A 46 -14.894 2.680 -25.641 1.00 21.35 H new ATOM 0 HD21 ASN A 46 -12.240 1.602 -23.674 1.00 72.33 H new ATOM 0 HD22 ASN A 46 -13.294 2.892 -24.262 1.00 72.33 H new ATOM 726 N GLN A 47 -17.250 -0.724 -23.871 1.00 53.42 N ATOM 727 CA GLN A 47 -17.508 -2.149 -23.755 1.00 12.13 C ATOM 728 C GLN A 47 -18.300 -2.442 -22.479 1.00 74.41 C ATOM 729 O GLN A 47 -18.157 -1.740 -21.479 1.00 64.24 O ATOM 730 CB GLN A 47 -16.203 -2.947 -23.785 1.00 51.53 C ATOM 731 CG GLN A 47 -16.449 -4.414 -23.428 1.00 4.35 C ATOM 732 CD GLN A 47 -15.127 -5.155 -23.217 1.00 60.30 C ATOM 733 OE1 GLN A 47 -14.825 -6.138 -23.874 1.00 52.02 O ATOM 734 NE2 GLN A 47 -14.358 -4.632 -22.266 1.00 52.45 N ATOM 0 H GLN A 47 -17.676 -0.153 -23.141 1.00 53.42 H new ATOM 0 HA GLN A 47 -18.106 -2.461 -24.611 1.00 12.13 H new ATOM 0 HB2 GLN A 47 -15.755 -2.881 -24.776 1.00 51.53 H new ATOM 0 HB3 GLN A 47 -15.491 -2.513 -23.083 1.00 51.53 H new ATOM 0 HG2 GLN A 47 -17.053 -4.476 -22.523 1.00 4.35 H new ATOM 0 HG3 GLN A 47 -17.017 -4.896 -24.224 1.00 4.35 H new ATOM 0 HE21 GLN A 47 -14.671 -3.807 -21.753 1.00 52.45 H new ATOM 0 HE22 GLN A 47 -13.456 -5.055 -22.049 1.00 52.45 H new ATOM 743 N VAL A 48 -19.120 -3.481 -22.555 1.00 45.01 N ATOM 744 CA VAL A 48 -19.935 -3.876 -21.419 1.00 3.01 C ATOM 745 C VAL A 48 -19.024 -4.341 -20.281 1.00 12.35 C ATOM 746 O VAL A 48 -18.437 -5.419 -20.351 1.00 43.05 O ATOM 747 CB VAL A 48 -20.948 -4.940 -21.846 1.00 42.14 C ATOM 748 CG1 VAL A 48 -21.364 -5.809 -20.658 1.00 55.12 C ATOM 749 CG2 VAL A 48 -22.167 -4.299 -22.512 1.00 35.50 C ATOM 0 H VAL A 48 -19.237 -4.061 -23.386 1.00 45.01 H new ATOM 0 HA VAL A 48 -20.511 -3.028 -21.049 1.00 3.01 H new ATOM 0 HB VAL A 48 -20.467 -5.586 -22.580 1.00 42.14 H new ATOM 0 HG11 VAL A 48 -22.084 -6.557 -20.989 1.00 55.12 H new ATOM 0 HG12 VAL A 48 -20.486 -6.308 -20.247 1.00 55.12 H new ATOM 0 HG13 VAL A 48 -21.818 -5.183 -19.890 1.00 55.12 H new ATOM 0 HG21 VAL A 48 -22.872 -5.077 -22.806 1.00 35.50 H new ATOM 0 HG22 VAL A 48 -22.649 -3.619 -21.810 1.00 35.50 H new ATOM 0 HG23 VAL A 48 -21.850 -3.744 -23.395 1.00 35.50 H new ATOM 759 N VAL A 49 -18.936 -3.504 -19.257 1.00 43.22 N ATOM 760 CA VAL A 49 -18.107 -3.815 -18.105 1.00 63.32 C ATOM 761 C VAL A 49 -19.004 -4.115 -16.903 1.00 20.42 C ATOM 762 O VAL A 49 -19.553 -3.201 -16.290 1.00 30.31 O ATOM 763 CB VAL A 49 -17.121 -2.674 -17.846 1.00 13.13 C ATOM 764 CG1 VAL A 49 -16.056 -3.090 -16.829 1.00 14.42 C ATOM 765 CG2 VAL A 49 -16.478 -2.198 -19.150 1.00 12.33 C ATOM 0 H VAL A 49 -19.425 -2.611 -19.202 1.00 43.22 H new ATOM 0 HA VAL A 49 -17.509 -4.706 -18.294 1.00 63.32 H new ATOM 0 HB VAL A 49 -17.679 -1.838 -17.424 1.00 13.13 H new ATOM 0 HG11 VAL A 49 -15.368 -2.261 -16.663 1.00 14.42 H new ATOM 0 HG12 VAL A 49 -16.536 -3.357 -15.888 1.00 14.42 H new ATOM 0 HG13 VAL A 49 -15.504 -3.949 -17.211 1.00 14.42 H new ATOM 0 HG21 VAL A 49 -15.782 -1.387 -18.937 1.00 12.33 H new ATOM 0 HG22 VAL A 49 -15.941 -3.025 -19.614 1.00 12.33 H new ATOM 0 HG23 VAL A 49 -17.253 -1.842 -19.829 1.00 12.33 H new ATOM 775 N PRO A 50 -19.128 -5.434 -16.593 1.00 53.14 N ATOM 776 CA PRO A 50 -19.949 -5.866 -15.475 1.00 75.04 C ATOM 777 C PRO A 50 -19.254 -5.583 -14.142 1.00 63.24 C ATOM 778 O PRO A 50 -18.062 -5.279 -14.112 1.00 72.12 O ATOM 779 CB PRO A 50 -20.193 -7.347 -15.716 1.00 14.13 C ATOM 780 CG PRO A 50 -19.124 -7.791 -16.700 1.00 25.32 C ATOM 781 CD PRO A 50 -18.493 -6.544 -17.297 1.00 63.11 C ATOM 0 HA PRO A 50 -20.893 -5.325 -15.413 1.00 75.04 H new ATOM 0 HB2 PRO A 50 -20.125 -7.910 -14.785 1.00 14.13 H new ATOM 0 HB3 PRO A 50 -21.191 -7.518 -16.120 1.00 14.13 H new ATOM 0 HG2 PRO A 50 -18.370 -8.397 -16.197 1.00 25.32 H new ATOM 0 HG3 PRO A 50 -19.560 -8.411 -17.484 1.00 25.32 H new ATOM 0 HD2 PRO A 50 -17.413 -6.539 -17.152 1.00 63.11 H new ATOM 0 HD3 PRO A 50 -18.671 -6.485 -18.371 1.00 63.11 H new ATOM 789 N MET A 51 -20.027 -5.694 -13.072 1.00 53.35 N ATOM 790 CA MET A 51 -19.500 -5.454 -11.740 1.00 13.22 C ATOM 791 C MET A 51 -18.401 -6.461 -11.395 1.00 73.03 C ATOM 792 O MET A 51 -18.465 -7.619 -11.806 1.00 3.15 O ATOM 793 CB MET A 51 -20.632 -5.563 -10.716 1.00 1.51 C ATOM 794 CG MET A 51 -20.136 -5.214 -9.311 1.00 42.42 C ATOM 795 SD MET A 51 -21.264 -5.858 -8.088 1.00 30.35 S ATOM 796 CE MET A 51 -22.742 -4.958 -8.524 1.00 52.10 C ATOM 0 H MET A 51 -21.015 -5.947 -13.101 1.00 53.35 H new ATOM 0 HA MET A 51 -19.070 -4.453 -11.715 1.00 13.22 H new ATOM 0 HB2 MET A 51 -21.445 -4.893 -10.995 1.00 1.51 H new ATOM 0 HB3 MET A 51 -21.036 -6.575 -10.722 1.00 1.51 H new ATOM 0 HG2 MET A 51 -19.141 -5.630 -9.154 1.00 42.42 H new ATOM 0 HG3 MET A 51 -20.050 -4.133 -9.205 1.00 42.42 H new ATOM 0 HE1 MET A 51 -23.592 -5.367 -7.977 1.00 52.10 H new ATOM 0 HE2 MET A 51 -22.617 -3.906 -8.267 1.00 52.10 H new ATOM 0 HE3 MET A 51 -22.922 -5.051 -9.595 1.00 52.10 H new ATOM 806 N GLY A 52 -17.419 -5.983 -10.645 1.00 72.41 N ATOM 807 CA GLY A 52 -16.308 -6.828 -10.241 1.00 2.32 C ATOM 808 C GLY A 52 -15.241 -6.891 -11.335 1.00 44.13 C ATOM 809 O GLY A 52 -14.145 -7.404 -11.111 1.00 14.44 O ATOM 0 H GLY A 52 -17.370 -5.022 -10.307 1.00 72.41 H new ATOM 0 HA2 GLY A 52 -15.869 -6.442 -9.321 1.00 2.32 H new ATOM 0 HA3 GLY A 52 -16.671 -7.833 -10.024 1.00 2.32 H new ATOM 813 N THR A 53 -15.598 -6.362 -12.497 1.00 24.24 N ATOM 814 CA THR A 53 -14.684 -6.352 -13.627 1.00 33.14 C ATOM 815 C THR A 53 -13.745 -5.147 -13.542 1.00 72.25 C ATOM 816 O THR A 53 -14.191 -4.003 -13.603 1.00 53.51 O ATOM 817 CB THR A 53 -15.518 -6.384 -14.909 1.00 33.11 C ATOM 818 OG1 THR A 53 -16.332 -7.545 -14.765 1.00 13.23 O ATOM 819 CG2 THR A 53 -14.672 -6.674 -16.151 1.00 35.15 C ATOM 0 H THR A 53 -16.507 -5.938 -12.680 1.00 24.24 H new ATOM 0 HA THR A 53 -14.037 -7.229 -13.621 1.00 33.14 H new ATOM 0 HB THR A 53 -16.029 -5.429 -15.033 1.00 33.11 H new ATOM 0 HG1 THR A 53 -17.234 -7.280 -14.490 1.00 13.23 H new ATOM 0 HG21 THR A 53 -15.312 -6.686 -17.033 1.00 35.15 H new ATOM 0 HG22 THR A 53 -13.913 -5.899 -16.264 1.00 35.15 H new ATOM 0 HG23 THR A 53 -14.187 -7.644 -16.042 1.00 35.15 H new ATOM 827 N THR A 54 -12.462 -5.446 -13.404 1.00 61.21 N ATOM 828 CA THR A 54 -11.456 -4.402 -13.311 1.00 40.20 C ATOM 829 C THR A 54 -11.637 -3.385 -14.440 1.00 23.21 C ATOM 830 O THR A 54 -12.009 -3.749 -15.554 1.00 72.23 O ATOM 831 CB THR A 54 -10.080 -5.070 -13.310 1.00 4.14 C ATOM 832 OG1 THR A 54 -10.099 -5.901 -12.153 1.00 24.54 O ATOM 833 CG2 THR A 54 -8.947 -4.078 -13.037 1.00 13.33 C ATOM 0 H THR A 54 -12.096 -6.397 -13.354 1.00 61.21 H new ATOM 0 HA THR A 54 -11.559 -3.835 -12.386 1.00 40.20 H new ATOM 0 HB THR A 54 -9.912 -5.557 -14.271 1.00 4.14 H new ATOM 0 HG1 THR A 54 -10.795 -5.589 -11.537 1.00 24.54 H new ATOM 0 HG21 THR A 54 -7.992 -4.604 -13.047 1.00 13.33 H new ATOM 0 HG22 THR A 54 -8.945 -3.307 -13.808 1.00 13.33 H new ATOM 0 HG23 THR A 54 -9.096 -3.615 -12.061 1.00 13.33 H new ATOM 841 N LEU A 55 -11.364 -2.131 -14.112 1.00 55.44 N ATOM 842 CA LEU A 55 -11.492 -1.059 -15.085 1.00 14.40 C ATOM 843 C LEU A 55 -10.182 -0.923 -15.863 1.00 51.12 C ATOM 844 O LEU A 55 -9.104 -0.907 -15.272 1.00 4.10 O ATOM 845 CB LEU A 55 -11.938 0.235 -14.401 1.00 11.23 C ATOM 846 CG LEU A 55 -13.100 0.979 -15.063 1.00 62.43 C ATOM 847 CD1 LEU A 55 -13.102 0.754 -16.577 1.00 12.44 C ATOM 848 CD2 LEU A 55 -14.435 0.591 -14.424 1.00 63.43 C ATOM 0 H LEU A 55 -11.055 -1.833 -13.187 1.00 55.44 H new ATOM 0 HA LEU A 55 -12.271 -1.294 -15.810 1.00 14.40 H new ATOM 0 HB2 LEU A 55 -12.220 0.001 -13.375 1.00 11.23 H new ATOM 0 HB3 LEU A 55 -11.083 0.909 -14.351 1.00 11.23 H new ATOM 0 HG LEU A 55 -12.962 2.047 -14.896 1.00 62.43 H new ATOM 0 HD11 LEU A 55 -13.937 1.293 -17.024 1.00 12.44 H new ATOM 0 HD12 LEU A 55 -12.166 1.119 -17.000 1.00 12.44 H new ATOM 0 HD13 LEU A 55 -13.204 -0.311 -16.786 1.00 12.44 H new ATOM 0 HD21 LEU A 55 -15.244 1.134 -14.913 1.00 63.43 H new ATOM 0 HD22 LEU A 55 -14.596 -0.481 -14.539 1.00 63.43 H new ATOM 0 HD23 LEU A 55 -14.418 0.843 -13.364 1.00 63.43 H new ATOM 860 N MET A 56 -10.319 -0.829 -17.178 1.00 2.43 N ATOM 861 CA MET A 56 -9.159 -0.695 -18.043 1.00 12.30 C ATOM 862 C MET A 56 -9.198 0.628 -18.811 1.00 71.24 C ATOM 863 O MET A 56 -10.271 1.182 -19.046 1.00 43.12 O ATOM 864 CB MET A 56 -9.124 -1.860 -19.034 1.00 31.13 C ATOM 865 CG MET A 56 -8.994 -3.198 -18.302 1.00 41.33 C ATOM 866 SD MET A 56 -7.271 -3.611 -18.087 1.00 42.31 S ATOM 867 CE MET A 56 -7.299 -4.187 -16.398 1.00 3.21 C ATOM 0 H MET A 56 -11.215 -0.843 -17.665 1.00 2.43 H new ATOM 0 HA MET A 56 -8.263 -0.707 -17.423 1.00 12.30 H new ATOM 0 HB2 MET A 56 -10.033 -1.857 -19.636 1.00 31.13 H new ATOM 0 HB3 MET A 56 -8.286 -1.734 -19.720 1.00 31.13 H new ATOM 0 HG2 MET A 56 -9.487 -3.140 -17.331 1.00 41.33 H new ATOM 0 HG3 MET A 56 -9.497 -3.982 -18.868 1.00 41.33 H new ATOM 0 HE1 MET A 56 -6.315 -4.050 -15.951 1.00 3.21 H new ATOM 0 HE2 MET A 56 -8.037 -3.619 -15.832 1.00 3.21 H new ATOM 0 HE3 MET A 56 -7.562 -5.244 -16.379 1.00 3.21 H new ATOM 877 N PRO A 57 -7.984 1.108 -19.192 1.00 23.53 N ATOM 878 CA PRO A 57 -7.869 2.354 -19.929 1.00 0.54 C ATOM 879 C PRO A 57 -8.292 2.170 -21.388 1.00 4.14 C ATOM 880 O PRO A 57 -8.421 3.144 -22.128 1.00 30.21 O ATOM 881 CB PRO A 57 -6.414 2.767 -19.779 1.00 42.24 C ATOM 882 CG PRO A 57 -5.665 1.512 -19.362 1.00 71.35 C ATOM 883 CD PRO A 57 -6.692 0.478 -18.931 1.00 55.01 C ATOM 0 HA PRO A 57 -8.531 3.131 -19.547 1.00 0.54 H new ATOM 0 HB2 PRO A 57 -6.022 3.163 -20.716 1.00 42.24 H new ATOM 0 HB3 PRO A 57 -6.306 3.553 -19.031 1.00 42.24 H new ATOM 0 HG2 PRO A 57 -5.065 1.133 -20.189 1.00 71.35 H new ATOM 0 HG3 PRO A 57 -4.978 1.731 -18.545 1.00 71.35 H new ATOM 0 HD2 PRO A 57 -6.582 -0.448 -19.495 1.00 55.01 H new ATOM 0 HD3 PRO A 57 -6.581 0.225 -17.877 1.00 55.01 H new ATOM 891 N ASP A 58 -8.495 0.914 -21.757 1.00 51.10 N ATOM 892 CA ASP A 58 -8.901 0.590 -23.114 1.00 65.51 C ATOM 893 C ASP A 58 -10.401 0.289 -23.136 1.00 3.45 C ATOM 894 O ASP A 58 -10.966 0.008 -24.191 1.00 70.01 O ATOM 895 CB ASP A 58 -8.163 -0.649 -23.628 1.00 13.30 C ATOM 896 CG ASP A 58 -7.687 -1.615 -22.542 1.00 5.35 C ATOM 897 OD1 ASP A 58 -6.481 -1.737 -22.280 1.00 64.45 O ATOM 898 OD2 ASP A 58 -8.624 -2.267 -21.943 1.00 33.53 O ATOM 0 H ASP A 58 -8.386 0.109 -21.140 1.00 51.10 H new ATOM 0 HA ASP A 58 -8.663 1.443 -23.750 1.00 65.51 H new ATOM 0 HB2 ASP A 58 -8.821 -1.188 -24.310 1.00 13.30 H new ATOM 0 HB3 ASP A 58 -7.299 -0.324 -24.208 1.00 13.30 H new ATOM 904 N MET A 59 -11.003 0.360 -21.957 1.00 64.24 N ATOM 905 CA MET A 59 -12.426 0.099 -21.828 1.00 12.14 C ATOM 906 C MET A 59 -13.197 1.391 -21.548 1.00 21.13 C ATOM 907 O MET A 59 -14.381 1.352 -21.217 1.00 51.35 O ATOM 908 CB MET A 59 -12.662 -0.893 -20.687 1.00 63.32 C ATOM 909 CG MET A 59 -12.281 -2.314 -21.109 1.00 41.22 C ATOM 910 SD MET A 59 -12.930 -3.494 -19.938 1.00 13.54 S ATOM 911 CE MET A 59 -12.441 -2.713 -18.409 1.00 35.05 C ATOM 0 H MET A 59 -10.531 0.594 -21.084 1.00 64.24 H new ATOM 0 HA MET A 59 -12.786 -0.321 -22.767 1.00 12.14 H new ATOM 0 HB2 MET A 59 -12.075 -0.598 -19.817 1.00 63.32 H new ATOM 0 HB3 MET A 59 -13.710 -0.867 -20.388 1.00 63.32 H new ATOM 0 HG2 MET A 59 -12.673 -2.524 -22.104 1.00 41.22 H new ATOM 0 HG3 MET A 59 -11.196 -2.406 -21.167 1.00 41.22 H new ATOM 0 HE1 MET A 59 -11.716 -3.343 -17.894 1.00 35.05 H new ATOM 0 HE2 MET A 59 -11.992 -1.743 -18.623 1.00 35.05 H new ATOM 0 HE3 MET A 59 -13.317 -2.575 -17.775 1.00 35.05 H new ATOM 921 N VAL A 60 -12.493 2.505 -21.690 1.00 75.42 N ATOM 922 CA VAL A 60 -13.097 3.806 -21.457 1.00 23.21 C ATOM 923 C VAL A 60 -12.924 4.674 -22.705 1.00 11.24 C ATOM 924 O VAL A 60 -11.826 4.773 -23.249 1.00 42.14 O ATOM 925 CB VAL A 60 -12.500 4.441 -20.199 1.00 54.12 C ATOM 926 CG1 VAL A 60 -13.059 5.848 -19.979 1.00 5.45 C ATOM 927 CG2 VAL A 60 -12.739 3.558 -18.973 1.00 32.11 C ATOM 0 H VAL A 60 -11.511 2.533 -21.963 1.00 75.42 H new ATOM 0 HA VAL A 60 -14.167 3.705 -21.278 1.00 23.21 H new ATOM 0 HB VAL A 60 -11.423 4.527 -20.345 1.00 54.12 H new ATOM 0 HG11 VAL A 60 -12.619 6.278 -19.079 1.00 5.45 H new ATOM 0 HG12 VAL A 60 -12.815 6.475 -20.837 1.00 5.45 H new ATOM 0 HG13 VAL A 60 -14.142 5.796 -19.864 1.00 5.45 H new ATOM 0 HG21 VAL A 60 -12.305 4.032 -18.093 1.00 32.11 H new ATOM 0 HG22 VAL A 60 -13.811 3.426 -18.823 1.00 32.11 H new ATOM 0 HG23 VAL A 60 -12.272 2.585 -19.128 1.00 32.11 H new ATOM 937 N LYS A 61 -14.026 5.282 -23.121 1.00 24.51 N ATOM 938 CA LYS A 61 -14.010 6.138 -24.294 1.00 40.43 C ATOM 939 C LYS A 61 -13.570 7.546 -23.887 1.00 14.03 C ATOM 940 O LYS A 61 -13.821 7.977 -22.762 1.00 54.55 O ATOM 941 CB LYS A 61 -15.364 6.099 -25.005 1.00 34.32 C ATOM 942 CG LYS A 61 -16.149 4.843 -24.619 1.00 15.42 C ATOM 943 CD LYS A 61 -17.050 4.385 -25.767 1.00 55.45 C ATOM 944 CE LYS A 61 -18.469 4.097 -25.271 1.00 5.44 C ATOM 945 NZ LYS A 61 -19.448 4.954 -25.975 1.00 15.43 N ATOM 0 H LYS A 61 -14.935 5.198 -22.666 1.00 24.51 H new ATOM 0 HA LYS A 61 -13.284 5.774 -25.021 1.00 40.43 H new ATOM 0 HB2 LYS A 61 -15.941 6.987 -24.746 1.00 34.32 H new ATOM 0 HB3 LYS A 61 -15.213 6.121 -26.084 1.00 34.32 H new ATOM 0 HG2 LYS A 61 -15.456 4.044 -24.355 1.00 15.42 H new ATOM 0 HG3 LYS A 61 -16.754 5.045 -23.735 1.00 15.42 H new ATOM 0 HD2 LYS A 61 -17.080 5.154 -26.539 1.00 55.45 H new ATOM 0 HD3 LYS A 61 -16.633 3.489 -26.226 1.00 55.45 H new ATOM 0 HE2 LYS A 61 -18.712 3.047 -25.435 1.00 5.44 H new ATOM 0 HE3 LYS A 61 -18.528 4.274 -24.197 1.00 5.44 H new ATOM 0 HZ1 LYS A 61 -20.294 4.396 -26.207 1.00 15.43 H new ATOM 0 HZ2 LYS A 61 -19.716 5.751 -25.362 1.00 15.43 H new ATOM 0 HZ3 LYS A 61 -19.023 5.319 -26.851 1.00 15.43 H new ATOM 958 N GLY A 62 -12.922 8.223 -24.823 1.00 1.12 N ATOM 959 CA GLY A 62 -12.445 9.573 -24.575 1.00 41.22 C ATOM 960 C GLY A 62 -11.478 9.604 -23.390 1.00 1.31 C ATOM 961 O GLY A 62 -11.186 10.670 -22.850 1.00 43.44 O ATOM 0 H GLY A 62 -12.716 7.862 -25.755 1.00 1.12 H new ATOM 0 HA2 GLY A 62 -11.947 9.956 -25.466 1.00 41.22 H new ATOM 0 HA3 GLY A 62 -13.291 10.231 -24.376 1.00 41.22 H new ATOM 965 N TYR A 63 -11.008 8.422 -23.019 1.00 40.25 N ATOM 966 CA TYR A 63 -10.080 8.301 -21.908 1.00 61.40 C ATOM 967 C TYR A 63 -8.659 8.672 -22.337 1.00 10.31 C ATOM 968 O TYR A 63 -8.408 8.921 -23.515 1.00 5.51 O ATOM 969 CB TYR A 63 -10.107 6.827 -21.496 1.00 5.42 C ATOM 970 CG TYR A 63 -9.120 6.476 -20.381 1.00 31.55 C ATOM 971 CD1 TYR A 63 -9.494 6.614 -19.059 1.00 73.42 C ATOM 972 CD2 TYR A 63 -7.856 6.020 -20.696 1.00 30.04 C ATOM 973 CE1 TYR A 63 -8.566 6.282 -18.010 1.00 2.45 C ATOM 974 CE2 TYR A 63 -6.928 5.689 -19.646 1.00 24.31 C ATOM 975 CZ TYR A 63 -7.328 5.836 -18.355 1.00 13.23 C ATOM 976 OH TYR A 63 -6.451 5.523 -17.363 1.00 55.43 O ATOM 0 H TYR A 63 -11.253 7.540 -23.468 1.00 40.25 H new ATOM 0 HA TYR A 63 -10.365 8.969 -21.095 1.00 61.40 H new ATOM 0 HB2 TYR A 63 -11.115 6.570 -21.170 1.00 5.42 H new ATOM 0 HB3 TYR A 63 -9.888 6.212 -22.369 1.00 5.42 H new ATOM 0 HD1 TYR A 63 -10.483 6.971 -18.812 1.00 73.42 H new ATOM 0 HD2 TYR A 63 -7.563 5.911 -21.730 1.00 30.04 H new ATOM 0 HE1 TYR A 63 -8.846 6.385 -16.972 1.00 2.45 H new ATOM 0 HE2 TYR A 63 -5.936 5.332 -19.879 1.00 24.31 H new ATOM 0 HH TYR A 63 -6.593 6.122 -16.600 1.00 55.43 H new ATOM 986 N ALA A 64 -7.767 8.698 -21.357 1.00 72.25 N ATOM 987 CA ALA A 64 -6.378 9.035 -21.619 1.00 31.22 C ATOM 988 C ALA A 64 -5.623 9.131 -20.292 1.00 1.34 C ATOM 989 O ALA A 64 -6.231 9.323 -19.240 1.00 1.22 O ATOM 990 CB ALA A 64 -6.311 10.334 -22.424 1.00 3.22 C ATOM 0 H ALA A 64 -7.979 8.491 -20.381 1.00 72.25 H new ATOM 0 HA ALA A 64 -5.900 8.258 -22.215 1.00 31.22 H new ATOM 0 HB1 ALA A 64 -5.269 10.587 -22.621 1.00 3.22 H new ATOM 0 HB2 ALA A 64 -6.837 10.204 -23.370 1.00 3.22 H new ATOM 0 HB3 ALA A 64 -6.779 11.138 -21.856 1.00 3.22 H new ATOM 996 N PRO A 65 -4.274 8.990 -20.387 1.00 4.34 N ATOM 997 CA PRO A 65 -3.429 9.060 -19.206 1.00 60.54 C ATOM 998 C PRO A 65 -3.279 10.504 -18.724 1.00 23.45 C ATOM 999 O PRO A 65 -4.070 11.370 -19.092 1.00 10.44 O ATOM 1000 CB PRO A 65 -2.110 8.434 -19.629 1.00 43.45 C ATOM 1001 CG PRO A 65 -2.104 8.462 -21.149 1.00 62.03 C ATOM 1002 CD PRO A 65 -3.519 8.762 -21.615 1.00 71.15 C ATOM 0 HA PRO A 65 -3.852 8.528 -18.354 1.00 60.54 H new ATOM 0 HB2 PRO A 65 -1.265 8.992 -19.225 1.00 43.45 H new ATOM 0 HB3 PRO A 65 -2.025 7.413 -19.257 1.00 43.45 H new ATOM 0 HG2 PRO A 65 -1.413 9.222 -21.514 1.00 62.03 H new ATOM 0 HG3 PRO A 65 -1.766 7.505 -21.547 1.00 62.03 H new ATOM 0 HD2 PRO A 65 -3.545 9.637 -22.264 1.00 71.15 H new ATOM 0 HD3 PRO A 65 -3.933 7.930 -22.185 1.00 71.15 H new ATOM 1010 N ALA A 66 -2.258 10.718 -17.907 1.00 23.52 N ATOM 1011 CA ALA A 66 -1.994 12.042 -17.370 1.00 25.41 C ATOM 1012 C ALA A 66 -0.682 12.571 -17.953 1.00 51.43 C ATOM 1013 O ALA A 66 -0.689 13.484 -18.778 1.00 12.23 O ATOM 1014 CB ALA A 66 -1.968 11.977 -15.841 1.00 42.14 C ATOM 0 H ALA A 66 -1.604 9.997 -17.604 1.00 23.52 H new ATOM 0 HA ALA A 66 -2.785 12.736 -17.654 1.00 25.41 H new ATOM 0 HB1 ALA A 66 -1.770 12.970 -15.438 1.00 42.14 H new ATOM 0 HB2 ALA A 66 -2.932 11.623 -15.475 1.00 42.14 H new ATOM 0 HB3 ALA A 66 -1.184 11.292 -15.519 1.00 42.14 H new TER 1020 ALA A 66