USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 484 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 48 LYS NZ :NH3+ -170:sc= 0.0935 (180deg=0.0747) USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.0238 (180deg=0) USER MOD Single : A 2 SER OG : rot 16:sc= 1.21 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -133:sc= -1.98! (180deg=-4.16!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.0556 X(o=-0.056,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 90:sc= -0.0112 USER MOD Single : A 30 GLN : amide:sc= -0.0163 X(o=-0.016,f=-0.016) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -1.11 USER MOD Single : A 35 THR OG1 : rot 85:sc= 0.549 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 137:sc= -0.343 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -146:sc= 0.42 USER MOD Single : A 66 ASN : amide:sc= -3.17! X(o=-3.2!,f=-2.8) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 45:sc= 0.209 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.735 -27.647 -12.354 1.00 0.00 N ATOM 2 CA GLY A 1 -11.199 -28.709 -13.230 1.00 0.00 C ATOM 3 C GLY A 1 -10.071 -29.204 -14.138 1.00 0.00 C ATOM 4 O GLY A 1 -8.912 -29.245 -13.728 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.238 -27.702 -11.445 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.713 -27.753 -12.191 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.921 -26.725 -12.797 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.580 -29.537 -12.633 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.028 -28.347 -13.838 1.00 0.00 H new ATOM 8 N SER A 2 -10.450 -29.567 -15.355 1.00 0.00 N ATOM 9 CA SER A 2 -9.485 -30.057 -16.324 1.00 0.00 C ATOM 10 C SER A 2 -10.131 -30.145 -17.708 1.00 0.00 C ATOM 11 O SER A 2 -11.274 -30.581 -17.836 1.00 0.00 O ATOM 12 CB SER A 2 -8.931 -31.421 -15.908 1.00 0.00 C ATOM 13 OG SER A 2 -7.949 -31.308 -14.881 1.00 0.00 O ATOM 0 H SER A 2 -11.412 -29.531 -15.692 1.00 0.00 H new ATOM 0 HA SER A 2 -8.653 -29.354 -16.363 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.748 -32.053 -15.560 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.493 -31.914 -16.776 1.00 0.00 H new ATOM 0 HG SER A 2 -8.000 -30.417 -14.476 1.00 0.00 H new ATOM 19 N SER A 3 -9.372 -29.725 -18.709 1.00 0.00 N ATOM 20 CA SER A 3 -9.856 -29.752 -20.078 1.00 0.00 C ATOM 21 C SER A 3 -11.115 -28.891 -20.205 1.00 0.00 C ATOM 22 O SER A 3 -11.827 -28.679 -19.225 1.00 0.00 O ATOM 23 CB SER A 3 -10.145 -31.184 -20.533 1.00 0.00 C ATOM 24 OG SER A 3 -9.312 -31.578 -21.619 1.00 0.00 O ATOM 0 H SER A 3 -8.424 -29.364 -18.599 1.00 0.00 H new ATOM 0 HA SER A 3 -9.078 -29.345 -20.723 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.997 -31.867 -19.696 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.191 -31.266 -20.830 1.00 0.00 H new ATOM 0 HG SER A 3 -9.526 -32.498 -21.879 1.00 0.00 H new ATOM 30 N GLY A 4 -11.350 -28.418 -21.420 1.00 0.00 N ATOM 31 CA GLY A 4 -12.510 -27.585 -21.687 1.00 0.00 C ATOM 32 C GLY A 4 -13.430 -28.241 -22.719 1.00 0.00 C ATOM 33 O GLY A 4 -12.972 -28.689 -23.769 1.00 0.00 O ATOM 0 H GLY A 4 -10.757 -28.596 -22.231 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.060 -27.413 -20.762 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.186 -26.610 -22.051 1.00 0.00 H new ATOM 37 N SER A 5 -14.712 -28.277 -22.384 1.00 0.00 N ATOM 38 CA SER A 5 -15.700 -28.870 -23.269 1.00 0.00 C ATOM 39 C SER A 5 -17.096 -28.352 -22.916 1.00 0.00 C ATOM 40 O SER A 5 -17.312 -27.837 -21.820 1.00 0.00 O ATOM 41 CB SER A 5 -15.665 -30.397 -23.188 1.00 0.00 C ATOM 42 OG SER A 5 -15.749 -31.002 -24.475 1.00 0.00 O ATOM 0 H SER A 5 -15.089 -27.905 -21.512 1.00 0.00 H new ATOM 0 HA SER A 5 -15.460 -28.581 -24.292 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.744 -30.713 -22.698 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.491 -30.746 -22.569 1.00 0.00 H new ATOM 0 HG SER A 5 -15.722 -31.977 -24.381 1.00 0.00 H new ATOM 48 N SER A 6 -18.007 -28.506 -23.866 1.00 0.00 N ATOM 49 CA SER A 6 -19.376 -28.060 -23.669 1.00 0.00 C ATOM 50 C SER A 6 -19.388 -26.624 -23.141 1.00 0.00 C ATOM 51 O SER A 6 -19.374 -26.404 -21.931 1.00 0.00 O ATOM 52 CB SER A 6 -20.124 -28.986 -22.708 1.00 0.00 C ATOM 53 OG SER A 6 -20.942 -29.925 -23.399 1.00 0.00 O ATOM 0 H SER A 6 -17.824 -28.933 -24.774 1.00 0.00 H new ATOM 0 HA SER A 6 -19.887 -28.090 -24.631 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.405 -29.520 -22.086 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.744 -28.389 -22.038 1.00 0.00 H new ATOM 0 HG SER A 6 -21.401 -30.499 -22.750 1.00 0.00 H new ATOM 59 N GLY A 7 -19.413 -25.684 -24.074 1.00 0.00 N ATOM 60 CA GLY A 7 -19.427 -24.276 -23.718 1.00 0.00 C ATOM 61 C GLY A 7 -20.707 -23.915 -22.961 1.00 0.00 C ATOM 62 O GLY A 7 -21.465 -24.796 -22.559 1.00 0.00 O ATOM 0 H GLY A 7 -19.424 -25.870 -25.077 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.558 -24.044 -23.102 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.350 -23.668 -24.620 1.00 0.00 H new ATOM 66 N LEU A 8 -20.908 -22.616 -22.789 1.00 0.00 N ATOM 67 CA LEU A 8 -22.082 -22.128 -22.087 1.00 0.00 C ATOM 68 C LEU A 8 -22.426 -20.725 -22.592 1.00 0.00 C ATOM 69 O LEU A 8 -21.546 -19.876 -22.724 1.00 0.00 O ATOM 70 CB LEU A 8 -21.872 -22.202 -20.573 1.00 0.00 C ATOM 71 CG LEU A 8 -22.660 -23.289 -19.839 1.00 0.00 C ATOM 72 CD1 LEU A 8 -21.728 -24.176 -19.011 1.00 0.00 C ATOM 73 CD2 LEU A 8 -23.775 -22.678 -18.989 1.00 0.00 C ATOM 0 H LEU A 8 -20.277 -21.888 -23.124 1.00 0.00 H new ATOM 0 HA LEU A 8 -22.942 -22.764 -22.297 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -20.811 -22.358 -20.381 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -22.136 -21.236 -20.142 1.00 0.00 H new ATOM 0 HG LEU A 8 -23.136 -23.928 -20.583 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -22.313 -24.940 -18.499 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -21.002 -24.654 -19.668 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -21.205 -23.566 -18.275 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -24.320 -23.472 -18.478 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -23.342 -22.002 -18.252 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -24.460 -22.124 -19.631 1.00 0.00 H new ATOM 85 N LEU A 9 -23.708 -20.525 -22.861 1.00 0.00 N ATOM 86 CA LEU A 9 -24.178 -19.239 -23.348 1.00 0.00 C ATOM 87 C LEU A 9 -25.315 -18.743 -22.451 1.00 0.00 C ATOM 88 O LEU A 9 -26.446 -18.583 -22.908 1.00 0.00 O ATOM 89 CB LEU A 9 -24.558 -19.333 -24.827 1.00 0.00 C ATOM 90 CG LEU A 9 -25.733 -20.256 -25.160 1.00 0.00 C ATOM 91 CD1 LEU A 9 -26.581 -19.676 -26.294 1.00 0.00 C ATOM 92 CD2 LEU A 9 -25.246 -21.672 -25.475 1.00 0.00 C ATOM 0 H LEU A 9 -24.435 -21.232 -22.751 1.00 0.00 H new ATOM 0 HA LEU A 9 -23.382 -18.497 -23.294 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -24.796 -18.331 -25.185 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -23.685 -19.672 -25.385 1.00 0.00 H new ATOM 0 HG LEU A 9 -26.374 -20.324 -24.281 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -27.409 -20.351 -26.511 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -26.974 -18.704 -25.994 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -25.965 -19.559 -27.186 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -26.101 -22.307 -25.708 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -24.571 -21.643 -26.331 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -24.719 -22.076 -24.611 1.00 0.00 H new ATOM 104 N SER A 10 -24.975 -18.515 -21.191 1.00 0.00 N ATOM 105 CA SER A 10 -25.952 -18.040 -20.227 1.00 0.00 C ATOM 106 C SER A 10 -25.527 -16.677 -19.677 1.00 0.00 C ATOM 107 O SER A 10 -24.336 -16.411 -19.522 1.00 0.00 O ATOM 108 CB SER A 10 -26.128 -19.042 -19.083 1.00 0.00 C ATOM 109 OG SER A 10 -27.298 -19.839 -19.247 1.00 0.00 O ATOM 0 H SER A 10 -24.036 -18.651 -20.816 1.00 0.00 H new ATOM 0 HA SER A 10 -26.911 -17.936 -20.735 1.00 0.00 H new ATOM 0 HB2 SER A 10 -25.253 -19.689 -19.030 1.00 0.00 H new ATOM 0 HB3 SER A 10 -26.185 -18.505 -18.136 1.00 0.00 H new ATOM 0 HG SER A 10 -27.374 -20.467 -18.498 1.00 0.00 H new ATOM 115 N HIS A 11 -26.523 -15.850 -19.398 1.00 0.00 N ATOM 116 CA HIS A 11 -26.267 -14.521 -18.869 1.00 0.00 C ATOM 117 C HIS A 11 -25.812 -14.627 -17.413 1.00 0.00 C ATOM 118 O HIS A 11 -26.638 -14.704 -16.504 1.00 0.00 O ATOM 119 CB HIS A 11 -27.493 -13.622 -19.044 1.00 0.00 C ATOM 120 CG HIS A 11 -27.160 -12.166 -19.267 1.00 0.00 C ATOM 121 ND1 HIS A 11 -26.746 -11.671 -20.491 1.00 0.00 N ATOM 122 CD2 HIS A 11 -27.184 -11.105 -18.410 1.00 0.00 C ATOM 123 CE1 HIS A 11 -26.532 -10.369 -20.365 1.00 0.00 C ATOM 124 NE2 HIS A 11 -26.804 -10.020 -19.075 1.00 0.00 N ATOM 0 H HIS A 11 -27.509 -16.074 -19.528 1.00 0.00 H new ATOM 0 HA HIS A 11 -25.460 -14.051 -19.431 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -28.078 -13.984 -19.889 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -28.124 -13.709 -18.159 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -27.464 -11.141 -17.368 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -26.200 -9.702 -21.147 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -26.728 -9.081 -18.685 1.00 0.00 H new ATOM 132 N MET A 12 -24.499 -14.628 -17.235 1.00 0.00 N ATOM 133 CA MET A 12 -23.924 -14.724 -15.904 1.00 0.00 C ATOM 134 C MET A 12 -24.590 -15.841 -15.098 1.00 0.00 C ATOM 135 O MET A 12 -25.634 -15.630 -14.484 1.00 0.00 O ATOM 136 CB MET A 12 -24.102 -13.391 -15.174 1.00 0.00 C ATOM 137 CG MET A 12 -22.792 -12.942 -14.524 1.00 0.00 C ATOM 138 SD MET A 12 -21.617 -12.469 -15.782 1.00 0.00 S ATOM 139 CE MET A 12 -20.659 -13.971 -15.891 1.00 0.00 C ATOM 0 H MET A 12 -23.817 -14.564 -17.991 1.00 0.00 H new ATOM 0 HA MET A 12 -22.864 -14.956 -16.002 1.00 0.00 H new ATOM 0 HB2 MET A 12 -24.443 -12.630 -15.876 1.00 0.00 H new ATOM 0 HB3 MET A 12 -24.875 -13.490 -14.412 1.00 0.00 H new ATOM 0 HG2 MET A 12 -22.978 -12.102 -13.854 1.00 0.00 H new ATOM 0 HG3 MET A 12 -22.382 -13.749 -13.917 1.00 0.00 H new ATOM 0 HE1 MET A 12 -19.597 -13.727 -15.876 1.00 0.00 H new ATOM 0 HE2 MET A 12 -20.895 -14.616 -15.044 1.00 0.00 H new ATOM 0 HE3 MET A 12 -20.899 -14.489 -16.819 1.00 0.00 H new ATOM 149 N ASP A 13 -23.958 -17.005 -15.127 1.00 0.00 N ATOM 150 CA ASP A 13 -24.476 -18.155 -14.406 1.00 0.00 C ATOM 151 C ASP A 13 -23.317 -18.893 -13.731 1.00 0.00 C ATOM 152 O ASP A 13 -22.571 -19.617 -14.388 1.00 0.00 O ATOM 153 CB ASP A 13 -25.169 -19.134 -15.356 1.00 0.00 C ATOM 154 CG ASP A 13 -26.565 -19.580 -14.919 1.00 0.00 C ATOM 155 OD1 ASP A 13 -26.708 -19.904 -13.720 1.00 0.00 O ATOM 156 OD2 ASP A 13 -27.459 -19.587 -15.793 1.00 0.00 O ATOM 0 H ASP A 13 -23.092 -17.176 -15.638 1.00 0.00 H new ATOM 0 HA ASP A 13 -25.195 -17.795 -13.670 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -25.243 -18.671 -16.340 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -24.540 -20.017 -15.466 1.00 0.00 H new ATOM 161 N ASP A 14 -23.204 -18.683 -12.428 1.00 0.00 N ATOM 162 CA ASP A 14 -22.149 -19.318 -11.656 1.00 0.00 C ATOM 163 C ASP A 14 -22.589 -19.431 -10.195 1.00 0.00 C ATOM 164 O ASP A 14 -23.057 -18.458 -9.607 1.00 0.00 O ATOM 165 CB ASP A 14 -20.861 -18.493 -11.700 1.00 0.00 C ATOM 166 CG ASP A 14 -20.944 -17.129 -11.012 1.00 0.00 C ATOM 167 OD1 ASP A 14 -21.681 -16.270 -11.543 1.00 0.00 O ATOM 168 OD2 ASP A 14 -20.268 -16.976 -9.972 1.00 0.00 O ATOM 0 H ASP A 14 -23.826 -18.082 -11.887 1.00 0.00 H new ATOM 0 HA ASP A 14 -21.962 -20.302 -12.087 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -20.062 -19.070 -11.235 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -20.580 -18.341 -12.742 1.00 0.00 H new ATOM 173 N PRO A 15 -22.418 -20.659 -9.637 1.00 0.00 N ATOM 174 CA PRO A 15 -22.792 -20.912 -8.256 1.00 0.00 C ATOM 175 C PRO A 15 -21.778 -20.295 -7.291 1.00 0.00 C ATOM 176 O PRO A 15 -22.103 -20.014 -6.139 1.00 0.00 O ATOM 177 CB PRO A 15 -22.875 -22.426 -8.142 1.00 0.00 C ATOM 178 CG PRO A 15 -22.097 -22.977 -9.326 1.00 0.00 C ATOM 179 CD PRO A 15 -21.867 -21.836 -10.303 1.00 0.00 C ATOM 0 HA PRO A 15 -23.743 -20.452 -7.987 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -22.448 -22.771 -7.200 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -23.911 -22.763 -8.165 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -21.146 -23.395 -8.997 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -22.651 -23.784 -9.805 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -20.806 -21.708 -10.519 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -22.366 -22.023 -11.254 1.00 0.00 H new ATOM 187 N ASP A 16 -20.569 -20.101 -7.798 1.00 0.00 N ATOM 188 CA ASP A 16 -19.505 -19.522 -6.996 1.00 0.00 C ATOM 189 C ASP A 16 -18.184 -19.621 -7.761 1.00 0.00 C ATOM 190 O ASP A 16 -17.771 -20.710 -8.156 1.00 0.00 O ATOM 191 CB ASP A 16 -19.342 -20.272 -5.673 1.00 0.00 C ATOM 192 CG ASP A 16 -19.213 -19.381 -4.436 1.00 0.00 C ATOM 193 OD1 ASP A 16 -18.605 -18.298 -4.577 1.00 0.00 O ATOM 194 OD2 ASP A 16 -19.726 -19.802 -3.376 1.00 0.00 O ATOM 0 H ASP A 16 -20.303 -20.335 -8.755 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.764 -18.483 -6.792 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -20.199 -20.932 -5.539 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -18.458 -20.907 -5.739 1.00 0.00 H new ATOM 199 N ILE A 17 -17.557 -18.469 -7.947 1.00 0.00 N ATOM 200 CA ILE A 17 -16.291 -18.412 -8.658 1.00 0.00 C ATOM 201 C ILE A 17 -15.441 -17.274 -8.088 1.00 0.00 C ATOM 202 O ILE A 17 -15.729 -16.101 -8.324 1.00 0.00 O ATOM 203 CB ILE A 17 -16.527 -18.307 -10.166 1.00 0.00 C ATOM 204 CG1 ILE A 17 -17.473 -19.408 -10.650 1.00 0.00 C ATOM 205 CG2 ILE A 17 -15.201 -18.313 -10.930 1.00 0.00 C ATOM 206 CD1 ILE A 17 -17.706 -19.305 -12.159 1.00 0.00 C ATOM 0 H ILE A 17 -17.902 -17.567 -7.618 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.730 -19.335 -8.510 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.012 -17.353 -10.371 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -17.054 -20.385 -10.409 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -18.425 -19.331 -10.125 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.397 -18.237 -12.000 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -14.594 -17.466 -10.612 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -14.666 -19.240 -10.724 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -18.382 -20.099 -12.478 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -18.148 -18.336 -12.394 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -16.755 -19.406 -12.682 1.00 0.00 H new ATOM 218 N ASP A 18 -14.412 -17.659 -7.348 1.00 0.00 N ATOM 219 CA ASP A 18 -13.520 -16.686 -6.742 1.00 0.00 C ATOM 220 C ASP A 18 -12.283 -16.516 -7.626 1.00 0.00 C ATOM 221 O ASP A 18 -11.183 -16.911 -7.244 1.00 0.00 O ATOM 222 CB ASP A 18 -13.053 -17.150 -5.361 1.00 0.00 C ATOM 223 CG ASP A 18 -12.711 -16.026 -4.382 1.00 0.00 C ATOM 224 OD1 ASP A 18 -12.159 -15.009 -4.856 1.00 0.00 O ATOM 225 OD2 ASP A 18 -13.008 -16.208 -3.182 1.00 0.00 O ATOM 0 H ASP A 18 -14.176 -18.632 -7.154 1.00 0.00 H new ATOM 0 HA ASP A 18 -14.064 -15.747 -6.641 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.833 -17.770 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.174 -17.783 -5.485 1.00 0.00 H new ATOM 230 N ALA A 19 -12.505 -15.926 -8.792 1.00 0.00 N ATOM 231 CA ALA A 19 -11.422 -15.698 -9.734 1.00 0.00 C ATOM 232 C ALA A 19 -10.616 -16.988 -9.899 1.00 0.00 C ATOM 233 O ALA A 19 -9.683 -17.244 -9.138 1.00 0.00 O ATOM 234 CB ALA A 19 -10.560 -14.530 -9.249 1.00 0.00 C ATOM 0 H ALA A 19 -13.419 -15.599 -9.106 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.816 -15.427 -10.714 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.748 -14.359 -9.956 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.173 -13.631 -9.176 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.145 -14.766 -8.269 1.00 0.00 H new ATOM 240 N PRO A 20 -11.014 -17.788 -10.924 1.00 0.00 N ATOM 241 CA PRO A 20 -10.339 -19.045 -11.198 1.00 0.00 C ATOM 242 C PRO A 20 -8.984 -18.805 -11.867 1.00 0.00 C ATOM 243 O PRO A 20 -8.706 -19.359 -12.930 1.00 0.00 O ATOM 244 CB PRO A 20 -11.304 -19.826 -12.075 1.00 0.00 C ATOM 245 CG PRO A 20 -12.276 -18.803 -12.641 1.00 0.00 C ATOM 246 CD PRO A 20 -12.114 -17.518 -11.845 1.00 0.00 C ATOM 0 HA PRO A 20 -10.104 -19.603 -10.292 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.773 -20.344 -12.874 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.830 -20.586 -11.497 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.073 -18.626 -13.697 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -13.300 -19.169 -12.571 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.887 -16.675 -12.497 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -13.028 -17.268 -11.307 1.00 0.00 H new ATOM 254 N ILE A 21 -8.177 -17.980 -11.217 1.00 0.00 N ATOM 255 CA ILE A 21 -6.858 -17.660 -11.735 1.00 0.00 C ATOM 256 C ILE A 21 -5.839 -17.720 -10.595 1.00 0.00 C ATOM 257 O ILE A 21 -5.889 -16.910 -9.670 1.00 0.00 O ATOM 258 CB ILE A 21 -6.882 -16.318 -12.469 1.00 0.00 C ATOM 259 CG1 ILE A 21 -8.103 -16.215 -13.384 1.00 0.00 C ATOM 260 CG2 ILE A 21 -5.574 -16.086 -13.229 1.00 0.00 C ATOM 261 CD1 ILE A 21 -7.884 -16.996 -14.682 1.00 0.00 C ATOM 0 H ILE A 21 -8.411 -17.523 -10.336 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.551 -18.397 -12.477 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.969 -15.524 -11.727 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.982 -16.600 -12.868 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.302 -15.168 -13.614 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.617 -15.125 -13.742 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.740 -16.085 -12.527 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.432 -16.882 -13.960 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.767 -16.906 -15.314 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.019 -16.592 -15.208 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.710 -18.047 -14.450 1.00 0.00 H new ATOM 273 N SER A 22 -4.939 -18.686 -10.699 1.00 0.00 N ATOM 274 CA SER A 22 -3.910 -18.862 -9.689 1.00 0.00 C ATOM 275 C SER A 22 -2.808 -17.817 -9.876 1.00 0.00 C ATOM 276 O SER A 22 -1.933 -17.978 -10.725 1.00 0.00 O ATOM 277 CB SER A 22 -3.318 -20.272 -9.744 1.00 0.00 C ATOM 278 OG SER A 22 -2.350 -20.486 -8.721 1.00 0.00 O ATOM 0 H SER A 22 -4.901 -19.355 -11.468 1.00 0.00 H new ATOM 0 HA SER A 22 -4.368 -18.727 -8.709 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.118 -21.005 -9.644 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.857 -20.434 -10.718 1.00 0.00 H new ATOM 0 HG SER A 22 -1.998 -21.398 -8.790 1.00 0.00 H new ATOM 284 N HIS A 23 -2.888 -16.769 -9.070 1.00 0.00 N ATOM 285 CA HIS A 23 -1.909 -15.697 -9.136 1.00 0.00 C ATOM 286 C HIS A 23 -0.866 -15.886 -8.032 1.00 0.00 C ATOM 287 O HIS A 23 -1.021 -16.747 -7.168 1.00 0.00 O ATOM 288 CB HIS A 23 -2.594 -14.330 -9.078 1.00 0.00 C ATOM 289 CG HIS A 23 -2.967 -13.772 -10.430 1.00 0.00 C ATOM 290 ND1 HIS A 23 -2.056 -13.141 -11.258 1.00 0.00 N ATOM 291 CD2 HIS A 23 -4.161 -13.758 -11.089 1.00 0.00 C ATOM 292 CE1 HIS A 23 -2.684 -12.767 -12.363 1.00 0.00 C ATOM 293 NE2 HIS A 23 -3.989 -13.150 -12.256 1.00 0.00 N ATOM 0 H HIS A 23 -3.616 -16.639 -8.367 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.387 -15.735 -10.092 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.494 -14.412 -8.469 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.932 -13.625 -8.575 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.089 -14.172 -10.723 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -2.241 -12.250 -13.201 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.713 -12.995 -12.957 1.00 0.00 H new ATOM 301 N GLN A 24 0.173 -15.066 -8.098 1.00 0.00 N ATOM 302 CA GLN A 24 1.241 -15.132 -7.115 1.00 0.00 C ATOM 303 C GLN A 24 0.834 -14.392 -5.839 1.00 0.00 C ATOM 304 O GLN A 24 -0.179 -13.695 -5.817 1.00 0.00 O ATOM 305 CB GLN A 24 2.545 -14.567 -7.683 1.00 0.00 C ATOM 306 CG GLN A 24 3.739 -15.436 -7.282 1.00 0.00 C ATOM 307 CD GLN A 24 4.984 -15.061 -8.087 1.00 0.00 C ATOM 308 OE1 GLN A 24 5.779 -14.222 -7.695 1.00 0.00 O ATOM 309 NE2 GLN A 24 5.110 -15.727 -9.231 1.00 0.00 N ATOM 0 H GLN A 24 0.298 -14.353 -8.817 1.00 0.00 H new ATOM 0 HA GLN A 24 1.415 -16.179 -6.866 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.479 -14.512 -8.770 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.693 -13.550 -7.321 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.940 -15.316 -6.217 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.499 -16.487 -7.444 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.408 -16.417 -9.500 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.909 -15.548 -9.840 1.00 0.00 H new ATOM 318 N THR A 25 1.644 -14.570 -4.805 1.00 0.00 N ATOM 319 CA THR A 25 1.380 -13.929 -3.528 1.00 0.00 C ATOM 320 C THR A 25 0.960 -12.473 -3.740 1.00 0.00 C ATOM 321 O THR A 25 1.289 -11.870 -4.760 1.00 0.00 O ATOM 322 CB THR A 25 2.628 -14.081 -2.657 1.00 0.00 C ATOM 323 OG1 THR A 25 2.584 -15.437 -2.220 1.00 0.00 O ATOM 324 CG2 THR A 25 2.541 -13.270 -1.362 1.00 0.00 C ATOM 0 H THR A 25 2.483 -15.149 -4.826 1.00 0.00 H new ATOM 0 HA THR A 25 0.546 -14.403 -3.011 1.00 0.00 H new ATOM 0 HB THR A 25 3.505 -13.768 -3.223 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.359 -15.622 -1.650 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.452 -13.413 -0.781 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.426 -12.213 -1.602 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.683 -13.605 -0.780 1.00 0.00 H new ATOM 332 N SER A 26 0.240 -11.950 -2.759 1.00 0.00 N ATOM 333 CA SER A 26 -0.228 -10.576 -2.824 1.00 0.00 C ATOM 334 C SER A 26 0.964 -9.619 -2.888 1.00 0.00 C ATOM 335 O SER A 26 1.174 -8.950 -3.898 1.00 0.00 O ATOM 336 CB SER A 26 -1.116 -10.239 -1.625 1.00 0.00 C ATOM 337 OG SER A 26 -2.473 -10.032 -2.006 1.00 0.00 O ATOM 0 H SER A 26 -0.031 -12.453 -1.914 1.00 0.00 H new ATOM 0 HA SER A 26 -0.826 -10.461 -3.728 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.064 -11.048 -0.897 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.737 -9.343 -1.134 1.00 0.00 H new ATOM 0 HG SER A 26 -2.956 -10.884 -1.970 1.00 0.00 H new ATOM 343 N ASP A 27 1.714 -9.585 -1.796 1.00 0.00 N ATOM 344 CA ASP A 27 2.879 -8.722 -1.714 1.00 0.00 C ATOM 345 C ASP A 27 2.426 -7.261 -1.701 1.00 0.00 C ATOM 346 O ASP A 27 3.194 -6.366 -2.051 1.00 0.00 O ATOM 347 CB ASP A 27 3.798 -8.921 -2.922 1.00 0.00 C ATOM 348 CG ASP A 27 5.229 -9.343 -2.583 1.00 0.00 C ATOM 349 OD1 ASP A 27 5.368 -10.392 -1.918 1.00 0.00 O ATOM 350 OD2 ASP A 27 6.150 -8.608 -2.998 1.00 0.00 O ATOM 0 H ASP A 27 1.537 -10.142 -0.960 1.00 0.00 H new ATOM 0 HA ASP A 27 3.421 -8.973 -0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.358 -9.675 -3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.834 -7.991 -3.489 1.00 0.00 H new ATOM 355 N ILE A 28 1.181 -7.064 -1.294 1.00 0.00 N ATOM 356 CA ILE A 28 0.616 -5.727 -1.230 1.00 0.00 C ATOM 357 C ILE A 28 1.592 -4.800 -0.502 1.00 0.00 C ATOM 358 O ILE A 28 1.726 -4.869 0.719 1.00 0.00 O ATOM 359 CB ILE A 28 -0.779 -5.764 -0.605 1.00 0.00 C ATOM 360 CG1 ILE A 28 -1.778 -6.457 -1.534 1.00 0.00 C ATOM 361 CG2 ILE A 28 -1.241 -4.359 -0.211 1.00 0.00 C ATOM 362 CD1 ILE A 28 -3.055 -6.836 -0.781 1.00 0.00 C ATOM 0 H ILE A 28 0.547 -7.809 -1.005 1.00 0.00 H new ATOM 0 HA ILE A 28 0.480 -5.323 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.728 -6.354 0.310 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.024 -5.797 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.324 -7.352 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.236 -4.414 0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.545 -3.937 0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.272 -3.724 -1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.748 -7.327 -1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.808 -7.515 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.520 -5.937 -0.377 1.00 0.00 H new ATOM 374 N ASP A 29 2.249 -3.955 -1.282 1.00 0.00 N ATOM 375 CA ASP A 29 3.209 -3.015 -0.727 1.00 0.00 C ATOM 376 C ASP A 29 2.471 -1.988 0.134 1.00 0.00 C ATOM 377 O ASP A 29 1.482 -1.402 -0.303 1.00 0.00 O ATOM 378 CB ASP A 29 3.945 -2.260 -1.836 1.00 0.00 C ATOM 379 CG ASP A 29 4.556 -3.145 -2.925 1.00 0.00 C ATOM 380 OD1 ASP A 29 4.815 -4.328 -2.616 1.00 0.00 O ATOM 381 OD2 ASP A 29 4.751 -2.618 -4.041 1.00 0.00 O ATOM 0 H ASP A 29 2.136 -3.901 -2.294 1.00 0.00 H new ATOM 0 HA ASP A 29 3.930 -3.579 -0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.250 -1.562 -2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.739 -1.665 -1.385 1.00 0.00 H new ATOM 386 N GLN A 30 2.980 -1.803 1.343 1.00 0.00 N ATOM 387 CA GLN A 30 2.381 -0.857 2.270 1.00 0.00 C ATOM 388 C GLN A 30 2.223 0.511 1.604 1.00 0.00 C ATOM 389 O GLN A 30 1.198 1.170 1.767 1.00 0.00 O ATOM 390 CB GLN A 30 3.207 -0.750 3.553 1.00 0.00 C ATOM 391 CG GLN A 30 2.444 0.018 4.634 1.00 0.00 C ATOM 392 CD GLN A 30 1.436 -0.889 5.344 1.00 0.00 C ATOM 393 OE1 GLN A 30 1.789 -1.784 6.094 1.00 0.00 O ATOM 394 NE2 GLN A 30 0.166 -0.610 5.065 1.00 0.00 N ATOM 0 H GLN A 30 3.800 -2.292 1.702 1.00 0.00 H new ATOM 0 HA GLN A 30 1.391 -1.223 2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.453 -1.748 3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.150 -0.247 3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.147 0.425 5.361 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.924 0.864 4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.060 0.154 4.428 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.582 -1.160 5.488 1.00 0.00 H new ATOM 403 N SER A 31 3.254 0.897 0.867 1.00 0.00 N ATOM 404 CA SER A 31 3.243 2.175 0.175 1.00 0.00 C ATOM 405 C SER A 31 2.076 2.225 -0.813 1.00 0.00 C ATOM 406 O SER A 31 1.472 3.278 -1.014 1.00 0.00 O ATOM 407 CB SER A 31 4.566 2.419 -0.554 1.00 0.00 C ATOM 408 OG SER A 31 5.149 3.669 -0.196 1.00 0.00 O ATOM 0 H SER A 31 4.103 0.347 0.734 1.00 0.00 H new ATOM 0 HA SER A 31 3.117 2.964 0.917 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.263 1.614 -0.321 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.397 2.393 -1.631 1.00 0.00 H new ATOM 0 HG SER A 31 5.993 3.787 -0.681 1.00 0.00 H new ATOM 414 N SER A 32 1.793 1.073 -1.404 1.00 0.00 N ATOM 415 CA SER A 32 0.709 0.972 -2.366 1.00 0.00 C ATOM 416 C SER A 32 -0.634 1.187 -1.666 1.00 0.00 C ATOM 417 O SER A 32 -1.430 2.027 -2.084 1.00 0.00 O ATOM 418 CB SER A 32 0.727 -0.383 -3.076 1.00 0.00 C ATOM 419 OG SER A 32 1.938 -0.592 -3.797 1.00 0.00 O ATOM 0 H SER A 32 2.296 0.202 -1.235 1.00 0.00 H new ATOM 0 HA SER A 32 0.847 1.748 -3.119 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.600 -1.179 -2.342 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.118 -0.444 -3.762 1.00 0.00 H new ATOM 0 HG SER A 32 1.911 -1.468 -4.235 1.00 0.00 H new ATOM 425 N VAL A 33 -0.846 0.412 -0.612 1.00 0.00 N ATOM 426 CA VAL A 33 -2.079 0.507 0.151 1.00 0.00 C ATOM 427 C VAL A 33 -2.414 1.981 0.391 1.00 0.00 C ATOM 428 O VAL A 33 -3.578 2.373 0.339 1.00 0.00 O ATOM 429 CB VAL A 33 -1.956 -0.297 1.447 1.00 0.00 C ATOM 430 CG1 VAL A 33 -3.187 -0.098 2.334 1.00 0.00 C ATOM 431 CG2 VAL A 33 -1.726 -1.780 1.152 1.00 0.00 C ATOM 0 H VAL A 33 -0.185 -0.284 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.908 0.072 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.088 0.074 1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.074 -0.680 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.287 0.958 2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.078 -0.430 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.642 -2.329 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.565 -2.171 0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.807 -1.899 0.579 1.00 0.00 H new ATOM 441 N ASP A 34 -1.371 2.757 0.648 1.00 0.00 N ATOM 442 CA ASP A 34 -1.540 4.178 0.897 1.00 0.00 C ATOM 443 C ASP A 34 -1.741 4.904 -0.435 1.00 0.00 C ATOM 444 O ASP A 34 -2.510 5.861 -0.515 1.00 0.00 O ATOM 445 CB ASP A 34 -0.302 4.770 1.574 1.00 0.00 C ATOM 446 CG ASP A 34 -0.492 6.171 2.159 1.00 0.00 C ATOM 447 OD1 ASP A 34 -0.664 7.106 1.347 1.00 0.00 O ATOM 448 OD2 ASP A 34 -0.461 6.275 3.404 1.00 0.00 O ATOM 0 H ASP A 34 -0.406 2.428 0.689 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.404 4.305 1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.012 4.099 2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.510 4.803 0.847 1.00 0.00 H new ATOM 453 N THR A 35 -1.038 4.420 -1.448 1.00 0.00 N ATOM 454 CA THR A 35 -1.130 5.011 -2.773 1.00 0.00 C ATOM 455 C THR A 35 -2.591 5.102 -3.215 1.00 0.00 C ATOM 456 O THR A 35 -2.947 5.959 -4.023 1.00 0.00 O ATOM 457 CB THR A 35 -0.258 4.184 -3.721 1.00 0.00 C ATOM 458 OG1 THR A 35 1.048 4.272 -3.157 1.00 0.00 O ATOM 459 CG2 THR A 35 -0.114 4.833 -5.099 1.00 0.00 C ATOM 0 H THR A 35 -0.402 3.625 -1.379 1.00 0.00 H new ATOM 0 HA THR A 35 -0.758 6.035 -2.777 1.00 0.00 H new ATOM 0 HB THR A 35 -0.686 3.188 -3.832 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.150 3.590 -2.461 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.514 4.206 -5.733 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.098 4.940 -5.555 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.345 5.816 -4.992 1.00 0.00 H new ATOM 467 N LEU A 36 -3.399 4.206 -2.667 1.00 0.00 N ATOM 468 CA LEU A 36 -4.815 4.175 -2.996 1.00 0.00 C ATOM 469 C LEU A 36 -5.590 5.005 -1.971 1.00 0.00 C ATOM 470 O LEU A 36 -6.693 5.471 -2.251 1.00 0.00 O ATOM 471 CB LEU A 36 -5.305 2.730 -3.115 1.00 0.00 C ATOM 472 CG LEU A 36 -4.951 2.007 -4.415 1.00 0.00 C ATOM 473 CD1 LEU A 36 -4.687 0.521 -4.162 1.00 0.00 C ATOM 474 CD2 LEU A 36 -6.032 2.224 -5.476 1.00 0.00 C ATOM 0 H LEU A 36 -3.101 3.496 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.990 4.628 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.896 2.159 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.389 2.725 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.028 2.437 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.438 0.030 -5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.856 0.413 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.579 0.060 -3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.755 1.699 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.984 1.838 -5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.129 3.290 -5.684 1.00 0.00 H new ATOM 486 N LEU A 37 -4.982 5.165 -0.805 1.00 0.00 N ATOM 487 CA LEU A 37 -5.601 5.931 0.263 1.00 0.00 C ATOM 488 C LEU A 37 -5.784 7.380 -0.194 1.00 0.00 C ATOM 489 O LEU A 37 -6.878 7.934 -0.091 1.00 0.00 O ATOM 490 CB LEU A 37 -4.798 5.792 1.558 1.00 0.00 C ATOM 491 CG LEU A 37 -5.038 4.512 2.362 1.00 0.00 C ATOM 492 CD1 LEU A 37 -3.938 4.306 3.405 1.00 0.00 C ATOM 493 CD2 LEU A 37 -6.433 4.513 2.991 1.00 0.00 C ATOM 0 H LEU A 37 -4.067 4.777 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.593 5.539 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.738 5.850 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.025 6.646 2.196 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.995 3.665 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.132 3.390 3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.972 4.229 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.924 5.152 4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.578 3.593 3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.530 5.369 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.186 4.579 2.206 1.00 0.00 H new ATOM 505 N SER A 38 -4.697 7.952 -0.690 1.00 0.00 N ATOM 506 CA SER A 38 -4.724 9.326 -1.163 1.00 0.00 C ATOM 507 C SER A 38 -5.719 9.462 -2.316 1.00 0.00 C ATOM 508 O SER A 38 -6.542 10.377 -2.326 1.00 0.00 O ATOM 509 CB SER A 38 -3.332 9.783 -1.605 1.00 0.00 C ATOM 510 OG SER A 38 -2.368 9.643 -0.565 1.00 0.00 O ATOM 0 H SER A 38 -3.792 7.489 -0.775 1.00 0.00 H new ATOM 0 HA SER A 38 -5.042 9.966 -0.340 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.018 9.201 -2.471 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.376 10.825 -1.920 1.00 0.00 H new ATOM 0 HG SER A 38 -1.493 9.944 -0.888 1.00 0.00 H new ATOM 516 N PHE A 39 -5.612 8.539 -3.261 1.00 0.00 N ATOM 517 CA PHE A 39 -6.493 8.545 -4.417 1.00 0.00 C ATOM 518 C PHE A 39 -7.942 8.802 -4.000 1.00 0.00 C ATOM 519 O PHE A 39 -8.594 9.700 -4.530 1.00 0.00 O ATOM 520 CB PHE A 39 -6.397 7.160 -5.059 1.00 0.00 C ATOM 521 CG PHE A 39 -5.280 7.032 -6.097 1.00 0.00 C ATOM 522 CD1 PHE A 39 -4.029 7.482 -5.810 1.00 0.00 C ATOM 523 CD2 PHE A 39 -5.539 6.467 -7.308 1.00 0.00 C ATOM 524 CE1 PHE A 39 -2.993 7.362 -6.774 1.00 0.00 C ATOM 525 CE2 PHE A 39 -4.503 6.348 -8.271 1.00 0.00 C ATOM 526 CZ PHE A 39 -3.252 6.798 -7.984 1.00 0.00 C ATOM 0 H PHE A 39 -4.929 7.782 -3.250 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.197 9.335 -5.107 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.239 6.418 -4.276 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.349 6.924 -5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.824 7.930 -4.849 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.532 6.109 -7.536 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.999 7.719 -6.546 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.708 5.900 -9.232 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.464 6.707 -8.717 1.00 0.00 H new ATOM 536 N GLY A 40 -8.404 7.997 -3.054 1.00 0.00 N ATOM 537 CA GLY A 40 -9.764 8.126 -2.560 1.00 0.00 C ATOM 538 C GLY A 40 -10.412 6.752 -2.372 1.00 0.00 C ATOM 539 O GLY A 40 -11.444 6.461 -2.974 1.00 0.00 O ATOM 0 H GLY A 40 -7.860 7.253 -2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.761 8.663 -1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.354 8.718 -3.260 1.00 0.00 H new ATOM 543 N PHE A 41 -9.778 5.945 -1.535 1.00 0.00 N ATOM 544 CA PHE A 41 -10.279 4.609 -1.260 1.00 0.00 C ATOM 545 C PHE A 41 -9.964 4.190 0.178 1.00 0.00 C ATOM 546 O PHE A 41 -9.023 4.699 0.784 1.00 0.00 O ATOM 547 CB PHE A 41 -9.568 3.657 -2.223 1.00 0.00 C ATOM 548 CG PHE A 41 -9.603 4.110 -3.684 1.00 0.00 C ATOM 549 CD1 PHE A 41 -10.796 4.306 -4.308 1.00 0.00 C ATOM 550 CD2 PHE A 41 -8.441 4.317 -4.360 1.00 0.00 C ATOM 551 CE1 PHE A 41 -10.828 4.726 -5.663 1.00 0.00 C ATOM 552 CE2 PHE A 41 -8.473 4.738 -5.716 1.00 0.00 C ATOM 553 CZ PHE A 41 -9.666 4.934 -6.339 1.00 0.00 C ATOM 0 H PHE A 41 -8.922 6.190 -1.038 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.361 4.584 -1.389 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -8.529 3.550 -1.911 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -10.027 2.671 -2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.719 4.142 -3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.494 4.161 -3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.775 4.881 -6.158 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.550 4.902 -6.252 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.691 5.255 -7.370 1.00 0.00 H new ATOM 563 N ALA A 42 -10.770 3.267 0.681 1.00 0.00 N ATOM 564 CA ALA A 42 -10.588 2.773 2.036 1.00 0.00 C ATOM 565 C ALA A 42 -9.339 1.892 2.090 1.00 0.00 C ATOM 566 O ALA A 42 -9.050 1.159 1.145 1.00 0.00 O ATOM 567 CB ALA A 42 -11.848 2.028 2.481 1.00 0.00 C ATOM 0 H ALA A 42 -11.550 2.848 0.175 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.437 3.600 2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.712 1.657 3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.701 2.706 2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.030 1.189 1.810 1.00 0.00 H new ATOM 573 N GLU A 43 -8.631 1.992 3.206 1.00 0.00 N ATOM 574 CA GLU A 43 -7.419 1.213 3.396 1.00 0.00 C ATOM 575 C GLU A 43 -7.668 -0.252 3.033 1.00 0.00 C ATOM 576 O GLU A 43 -6.782 -0.925 2.508 1.00 0.00 O ATOM 577 CB GLU A 43 -6.903 1.343 4.830 1.00 0.00 C ATOM 578 CG GLU A 43 -5.521 0.703 4.975 1.00 0.00 C ATOM 579 CD GLU A 43 -5.528 -0.377 6.060 1.00 0.00 C ATOM 580 OE1 GLU A 43 -6.057 -1.471 5.767 1.00 0.00 O ATOM 581 OE2 GLU A 43 -5.004 -0.084 7.156 1.00 0.00 O ATOM 0 H GLU A 43 -8.874 2.601 3.988 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.649 1.606 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.851 2.396 5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.602 0.866 5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.217 0.266 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.786 1.469 5.224 1.00 0.00 H new ATOM 588 N ASP A 44 -8.879 -0.704 3.326 1.00 0.00 N ATOM 589 CA ASP A 44 -9.255 -2.077 3.037 1.00 0.00 C ATOM 590 C ASP A 44 -9.319 -2.276 1.521 1.00 0.00 C ATOM 591 O ASP A 44 -8.678 -3.177 0.983 1.00 0.00 O ATOM 592 CB ASP A 44 -10.634 -2.404 3.615 1.00 0.00 C ATOM 593 CG ASP A 44 -10.693 -3.670 4.472 1.00 0.00 C ATOM 594 OD1 ASP A 44 -10.063 -4.666 4.056 1.00 0.00 O ATOM 595 OD2 ASP A 44 -11.367 -3.613 5.523 1.00 0.00 O ATOM 0 H ASP A 44 -9.612 -0.143 3.761 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.510 -2.732 3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.968 -1.560 4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.341 -2.507 2.792 1.00 0.00 H new ATOM 600 N VAL A 45 -10.097 -1.420 0.876 1.00 0.00 N ATOM 601 CA VAL A 45 -10.253 -1.490 -0.567 1.00 0.00 C ATOM 602 C VAL A 45 -8.888 -1.299 -1.232 1.00 0.00 C ATOM 603 O VAL A 45 -8.596 -1.926 -2.249 1.00 0.00 O ATOM 604 CB VAL A 45 -11.293 -0.469 -1.031 1.00 0.00 C ATOM 605 CG1 VAL A 45 -11.245 -0.290 -2.550 1.00 0.00 C ATOM 606 CG2 VAL A 45 -12.696 -0.867 -0.570 1.00 0.00 C ATOM 0 H VAL A 45 -10.627 -0.674 1.326 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.625 -2.470 -0.865 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.050 0.489 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.994 0.441 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.256 0.061 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.451 -1.244 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.416 -0.124 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.953 -1.841 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.720 -0.920 0.518 1.00 0.00 H new ATOM 616 N ALA A 46 -8.089 -0.429 -0.631 1.00 0.00 N ATOM 617 CA ALA A 46 -6.763 -0.147 -1.153 1.00 0.00 C ATOM 618 C ALA A 46 -5.966 -1.450 -1.240 1.00 0.00 C ATOM 619 O ALA A 46 -5.156 -1.627 -2.148 1.00 0.00 O ATOM 620 CB ALA A 46 -6.078 0.897 -0.269 1.00 0.00 C ATOM 0 H ALA A 46 -8.335 0.090 0.212 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.827 0.268 -2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.083 1.109 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.668 1.813 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.994 0.514 0.748 1.00 0.00 H new ATOM 626 N ARG A 47 -6.225 -2.330 -0.283 1.00 0.00 N ATOM 627 CA ARG A 47 -5.542 -3.611 -0.240 1.00 0.00 C ATOM 628 C ARG A 47 -6.252 -4.622 -1.143 1.00 0.00 C ATOM 629 O ARG A 47 -5.604 -5.375 -1.867 1.00 0.00 O ATOM 630 CB ARG A 47 -5.490 -4.160 1.187 1.00 0.00 C ATOM 631 CG ARG A 47 -4.132 -3.881 1.834 1.00 0.00 C ATOM 632 CD ARG A 47 -4.200 -4.060 3.352 1.00 0.00 C ATOM 633 NE ARG A 47 -2.867 -4.427 3.878 1.00 0.00 N ATOM 634 CZ ARG A 47 -2.565 -4.488 5.183 1.00 0.00 C ATOM 635 NH1 ARG A 47 -3.499 -4.206 6.101 1.00 0.00 N ATOM 636 NH2 ARG A 47 -1.328 -4.830 5.569 1.00 0.00 N ATOM 0 H ARG A 47 -6.899 -2.180 0.468 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.523 -3.455 -0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.281 -3.706 1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.677 -5.234 1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.382 -4.554 1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.815 -2.865 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.544 -3.138 3.820 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.925 -4.834 3.603 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.132 -4.647 3.206 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.440 -3.945 5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.269 -4.253 7.094 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.616 -5.044 4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.098 -4.876 6.562 1.00 0.00 H new ATOM 650 N LYS A 48 -7.575 -4.605 -1.069 1.00 0.00 N ATOM 651 CA LYS A 48 -8.381 -5.511 -1.871 1.00 0.00 C ATOM 652 C LYS A 48 -7.954 -5.405 -3.336 1.00 0.00 C ATOM 653 O LYS A 48 -7.704 -6.418 -3.988 1.00 0.00 O ATOM 654 CB LYS A 48 -9.870 -5.246 -1.643 1.00 0.00 C ATOM 655 CG LYS A 48 -10.284 -5.625 -0.220 1.00 0.00 C ATOM 656 CD LYS A 48 -11.773 -5.969 -0.154 1.00 0.00 C ATOM 657 CE LYS A 48 -12.135 -7.035 -1.190 1.00 0.00 C ATOM 658 NZ LYS A 48 -13.361 -7.758 -0.783 1.00 0.00 N ATOM 0 H LYS A 48 -8.109 -3.979 -0.466 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.214 -6.544 -1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.087 -4.192 -1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.459 -5.817 -2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.695 -6.477 0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.068 -4.799 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.023 -6.327 0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.366 -5.071 -0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.287 -6.568 -2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.310 -7.739 -1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.499 -8.583 -1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.266 -8.075 0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.181 -7.124 -0.865 1.00 0.00 H new ATOM 672 N ALA A 49 -7.883 -4.170 -3.811 1.00 0.00 N ATOM 673 CA ALA A 49 -7.491 -3.919 -5.187 1.00 0.00 C ATOM 674 C ALA A 49 -6.056 -4.406 -5.401 1.00 0.00 C ATOM 675 O ALA A 49 -5.749 -5.012 -6.427 1.00 0.00 O ATOM 676 CB ALA A 49 -7.654 -2.430 -5.501 1.00 0.00 C ATOM 0 H ALA A 49 -8.090 -3.332 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.132 -4.470 -5.875 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.360 -2.242 -6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.696 -2.141 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.023 -1.846 -4.832 1.00 0.00 H new ATOM 682 N LEU A 50 -5.216 -4.124 -4.416 1.00 0.00 N ATOM 683 CA LEU A 50 -3.822 -4.526 -4.484 1.00 0.00 C ATOM 684 C LEU A 50 -3.722 -6.040 -4.290 1.00 0.00 C ATOM 685 O LEU A 50 -2.664 -6.629 -4.506 1.00 0.00 O ATOM 686 CB LEU A 50 -2.984 -3.722 -3.488 1.00 0.00 C ATOM 687 CG LEU A 50 -2.915 -2.213 -3.732 1.00 0.00 C ATOM 688 CD1 LEU A 50 -2.473 -1.473 -2.469 1.00 0.00 C ATOM 689 CD2 LEU A 50 -2.018 -1.892 -4.929 1.00 0.00 C ATOM 0 H LEU A 50 -5.474 -3.622 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.409 -4.302 -5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.384 -3.890 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.968 -4.118 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.917 -1.860 -3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.432 -0.402 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.186 -1.665 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.486 -1.824 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.986 -0.813 -5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.010 -2.261 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.417 -2.372 -5.822 1.00 0.00 H new ATOM 701 N LYS A 51 -4.838 -6.628 -3.886 1.00 0.00 N ATOM 702 CA LYS A 51 -4.890 -8.062 -3.661 1.00 0.00 C ATOM 703 C LYS A 51 -5.219 -8.769 -4.977 1.00 0.00 C ATOM 704 O LYS A 51 -4.588 -9.766 -5.325 1.00 0.00 O ATOM 705 CB LYS A 51 -5.862 -8.392 -2.526 1.00 0.00 C ATOM 706 CG LYS A 51 -6.463 -9.787 -2.707 1.00 0.00 C ATOM 707 CD LYS A 51 -6.918 -10.367 -1.366 1.00 0.00 C ATOM 708 CE LYS A 51 -5.735 -10.950 -0.591 1.00 0.00 C ATOM 709 NZ LYS A 51 -6.009 -10.936 0.863 1.00 0.00 N ATOM 0 H LYS A 51 -5.714 -6.137 -3.709 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.918 -8.431 -3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.342 -8.338 -1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.659 -7.649 -2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.310 -9.736 -3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.725 -10.448 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.398 -9.588 -0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.664 -11.143 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.544 -11.971 -0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.835 -10.373 -0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.196 -11.335 1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.168 -9.957 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.856 -11.506 1.062 1.00 0.00 H new ATOM 723 N ALA A 52 -6.207 -8.225 -5.673 1.00 0.00 N ATOM 724 CA ALA A 52 -6.628 -8.791 -6.943 1.00 0.00 C ATOM 725 C ALA A 52 -5.691 -8.303 -8.049 1.00 0.00 C ATOM 726 O ALA A 52 -5.512 -8.980 -9.060 1.00 0.00 O ATOM 727 CB ALA A 52 -8.088 -8.420 -7.209 1.00 0.00 C ATOM 0 H ALA A 52 -6.728 -7.398 -5.381 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.568 -9.879 -6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.404 -8.845 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.715 -8.815 -6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.187 -7.335 -7.245 1.00 0.00 H new ATOM 733 N SER A 53 -5.118 -7.130 -7.821 1.00 0.00 N ATOM 734 CA SER A 53 -4.205 -6.543 -8.786 1.00 0.00 C ATOM 735 C SER A 53 -2.777 -7.021 -8.513 1.00 0.00 C ATOM 736 O SER A 53 -2.051 -7.377 -9.440 1.00 0.00 O ATOM 737 CB SER A 53 -4.269 -5.014 -8.745 1.00 0.00 C ATOM 738 OG SER A 53 -3.475 -4.474 -7.692 1.00 0.00 O ATOM 0 H SER A 53 -5.269 -6.571 -6.982 1.00 0.00 H new ATOM 0 HA SER A 53 -4.506 -6.866 -9.782 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.928 -4.611 -9.699 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.304 -4.698 -8.617 1.00 0.00 H new ATOM 0 HG SER A 53 -2.984 -3.692 -8.020 1.00 0.00 H new ATOM 744 N GLY A 54 -2.418 -7.015 -7.238 1.00 0.00 N ATOM 745 CA GLY A 54 -1.091 -7.444 -6.832 1.00 0.00 C ATOM 746 C GLY A 54 -0.062 -6.333 -7.058 1.00 0.00 C ATOM 747 O GLY A 54 0.603 -6.300 -8.092 1.00 0.00 O ATOM 0 H GLY A 54 -3.024 -6.720 -6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.102 -7.725 -5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.803 -8.331 -7.396 1.00 0.00 H new ATOM 751 N GLY A 55 0.036 -5.452 -6.073 1.00 0.00 N ATOM 752 CA GLY A 55 0.971 -4.343 -6.151 1.00 0.00 C ATOM 753 C GLY A 55 0.503 -3.302 -7.170 1.00 0.00 C ATOM 754 O GLY A 55 0.318 -2.135 -6.829 1.00 0.00 O ATOM 0 H GLY A 55 -0.517 -5.484 -5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.071 -3.878 -5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.957 -4.713 -6.431 1.00 0.00 H new ATOM 758 N ASP A 56 0.326 -3.762 -8.400 1.00 0.00 N ATOM 759 CA ASP A 56 -0.117 -2.885 -9.470 1.00 0.00 C ATOM 760 C ASP A 56 -1.189 -1.934 -8.934 1.00 0.00 C ATOM 761 O ASP A 56 -2.230 -2.377 -8.451 1.00 0.00 O ATOM 762 CB ASP A 56 -0.727 -3.686 -10.622 1.00 0.00 C ATOM 763 CG ASP A 56 0.260 -4.562 -11.395 1.00 0.00 C ATOM 764 OD1 ASP A 56 1.316 -4.881 -10.808 1.00 0.00 O ATOM 765 OD2 ASP A 56 -0.064 -4.892 -12.556 1.00 0.00 O ATOM 0 H ASP A 56 0.481 -4.731 -8.679 1.00 0.00 H new ATOM 0 HA ASP A 56 0.750 -2.333 -9.834 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.518 -4.321 -10.224 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.196 -2.992 -11.319 1.00 0.00 H new ATOM 770 N ILE A 57 -0.898 -0.646 -9.037 1.00 0.00 N ATOM 771 CA ILE A 57 -1.824 0.371 -8.569 1.00 0.00 C ATOM 772 C ILE A 57 -2.809 0.712 -9.689 1.00 0.00 C ATOM 773 O ILE A 57 -4.018 0.751 -9.467 1.00 0.00 O ATOM 774 CB ILE A 57 -1.062 1.583 -8.029 1.00 0.00 C ATOM 775 CG1 ILE A 57 -0.553 1.322 -6.610 1.00 0.00 C ATOM 776 CG2 ILE A 57 -1.918 2.848 -8.108 1.00 0.00 C ATOM 777 CD1 ILE A 57 -1.606 1.710 -5.570 1.00 0.00 C ATOM 0 H ILE A 57 -0.033 -0.283 -9.438 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.411 -0.005 -7.731 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.188 1.746 -8.659 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.298 0.268 -6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.361 1.891 -6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.353 3.695 -7.718 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.189 3.040 -9.146 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.823 2.712 -7.516 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.219 1.515 -4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.840 2.770 -5.668 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.510 1.122 -5.731 1.00 0.00 H new ATOM 789 N GLU A 58 -2.254 0.952 -10.868 1.00 0.00 N ATOM 790 CA GLU A 58 -3.068 1.290 -12.024 1.00 0.00 C ATOM 791 C GLU A 58 -4.214 0.287 -12.176 1.00 0.00 C ATOM 792 O GLU A 58 -5.311 0.653 -12.596 1.00 0.00 O ATOM 793 CB GLU A 58 -2.219 1.349 -13.295 1.00 0.00 C ATOM 794 CG GLU A 58 -1.814 2.788 -13.617 1.00 0.00 C ATOM 795 CD GLU A 58 -2.232 3.170 -15.038 1.00 0.00 C ATOM 796 OE1 GLU A 58 -3.457 3.290 -15.256 1.00 0.00 O ATOM 797 OE2 GLU A 58 -1.318 3.334 -15.875 1.00 0.00 O ATOM 0 H GLU A 58 -1.251 0.919 -11.048 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.495 2.280 -11.867 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.327 0.736 -13.169 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.779 0.929 -14.131 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.277 3.468 -12.902 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.735 2.899 -13.509 1.00 0.00 H new ATOM 804 N LYS A 59 -3.920 -0.957 -11.827 1.00 0.00 N ATOM 805 CA LYS A 59 -4.913 -2.014 -11.920 1.00 0.00 C ATOM 806 C LYS A 59 -5.828 -1.958 -10.695 1.00 0.00 C ATOM 807 O LYS A 59 -7.040 -2.126 -10.814 1.00 0.00 O ATOM 808 CB LYS A 59 -4.233 -3.370 -12.119 1.00 0.00 C ATOM 809 CG LYS A 59 -3.820 -3.568 -13.578 1.00 0.00 C ATOM 810 CD LYS A 59 -4.358 -4.891 -14.126 1.00 0.00 C ATOM 811 CE LYS A 59 -5.888 -4.886 -14.167 1.00 0.00 C ATOM 812 NZ LYS A 59 -6.384 -5.887 -15.138 1.00 0.00 N ATOM 0 H LYS A 59 -3.009 -1.257 -11.480 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.545 -1.868 -12.796 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.355 -3.438 -11.477 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.911 -4.168 -11.818 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.195 -2.741 -14.181 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.733 -3.553 -13.657 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.964 -5.061 -15.128 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.010 -5.715 -13.503 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.285 -5.105 -13.176 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.247 -3.894 -14.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.424 -5.870 -15.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.020 -5.661 -16.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.057 -6.834 -14.858 1.00 0.00 H new ATOM 826 N ALA A 60 -5.212 -1.721 -9.547 1.00 0.00 N ATOM 827 CA ALA A 60 -5.956 -1.641 -8.301 1.00 0.00 C ATOM 828 C ALA A 60 -7.001 -0.528 -8.407 1.00 0.00 C ATOM 829 O ALA A 60 -8.157 -0.721 -8.035 1.00 0.00 O ATOM 830 CB ALA A 60 -4.985 -1.420 -7.139 1.00 0.00 C ATOM 0 H ALA A 60 -4.206 -1.582 -9.453 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.486 -2.574 -8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.543 -1.360 -6.205 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.282 -2.252 -7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.437 -0.491 -7.294 1.00 0.00 H new ATOM 836 N THR A 61 -6.556 0.611 -8.917 1.00 0.00 N ATOM 837 CA THR A 61 -7.438 1.754 -9.076 1.00 0.00 C ATOM 838 C THR A 61 -8.653 1.376 -9.926 1.00 0.00 C ATOM 839 O THR A 61 -9.764 1.835 -9.666 1.00 0.00 O ATOM 840 CB THR A 61 -6.619 2.904 -9.666 1.00 0.00 C ATOM 841 OG1 THR A 61 -5.670 3.211 -8.649 1.00 0.00 O ATOM 842 CG2 THR A 61 -7.436 4.190 -9.812 1.00 0.00 C ATOM 0 H THR A 61 -5.596 0.766 -9.225 1.00 0.00 H new ATOM 0 HA THR A 61 -7.840 2.080 -8.117 1.00 0.00 H new ATOM 0 HB THR A 61 -6.228 2.609 -10.640 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.481 4.173 -8.657 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.808 4.974 -10.235 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.284 4.009 -10.472 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.798 4.504 -8.833 1.00 0.00 H new ATOM 850 N ASP A 62 -8.401 0.542 -10.924 1.00 0.00 N ATOM 851 CA ASP A 62 -9.460 0.096 -11.813 1.00 0.00 C ATOM 852 C ASP A 62 -10.299 -0.970 -11.106 1.00 0.00 C ATOM 853 O ASP A 62 -11.526 -0.890 -11.091 1.00 0.00 O ATOM 854 CB ASP A 62 -8.885 -0.524 -13.088 1.00 0.00 C ATOM 855 CG ASP A 62 -9.908 -0.802 -14.191 1.00 0.00 C ATOM 856 OD1 ASP A 62 -11.040 -0.289 -14.057 1.00 0.00 O ATOM 857 OD2 ASP A 62 -9.536 -1.522 -15.142 1.00 0.00 O ATOM 0 H ASP A 62 -7.478 0.163 -11.137 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.066 0.963 -12.075 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.118 0.142 -13.484 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.391 -1.460 -12.828 1.00 0.00 H new ATOM 862 N TRP A 63 -9.603 -1.944 -10.538 1.00 0.00 N ATOM 863 CA TRP A 63 -10.269 -3.025 -9.830 1.00 0.00 C ATOM 864 C TRP A 63 -11.388 -2.417 -8.983 1.00 0.00 C ATOM 865 O TRP A 63 -12.544 -2.820 -9.093 1.00 0.00 O ATOM 866 CB TRP A 63 -9.269 -3.838 -9.006 1.00 0.00 C ATOM 867 CG TRP A 63 -9.917 -4.888 -8.101 1.00 0.00 C ATOM 868 CD1 TRP A 63 -10.126 -6.185 -8.361 1.00 0.00 C ATOM 869 CD2 TRP A 63 -10.434 -4.674 -6.771 1.00 0.00 C ATOM 870 NE1 TRP A 63 -10.739 -6.821 -7.300 1.00 0.00 N ATOM 871 CE2 TRP A 63 -10.931 -5.873 -6.302 1.00 0.00 C ATOM 872 CE3 TRP A 63 -10.479 -3.507 -5.989 1.00 0.00 C ATOM 873 CZ2 TRP A 63 -11.510 -6.021 -5.036 1.00 0.00 C ATOM 874 CZ3 TRP A 63 -11.061 -3.671 -4.726 1.00 0.00 C ATOM 875 CH2 TRP A 63 -11.567 -4.871 -4.240 1.00 0.00 C ATOM 0 H TRP A 63 -8.585 -2.007 -10.553 1.00 0.00 H new ATOM 0 HA TRP A 63 -10.710 -3.732 -10.532 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.575 -4.336 -9.683 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.681 -3.156 -8.391 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -9.850 -6.672 -9.284 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -11.002 -7.805 -7.257 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -10.095 -2.559 -6.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -11.892 -6.971 -4.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -11.121 -2.804 -4.084 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -12.002 -4.916 -3.253 1.00 0.00 H new ATOM 886 N VAL A 64 -11.004 -1.456 -8.155 1.00 0.00 N ATOM 887 CA VAL A 64 -11.960 -0.788 -7.289 1.00 0.00 C ATOM 888 C VAL A 64 -13.254 -0.534 -8.065 1.00 0.00 C ATOM 889 O VAL A 64 -14.348 -0.724 -7.535 1.00 0.00 O ATOM 890 CB VAL A 64 -11.345 0.491 -6.717 1.00 0.00 C ATOM 891 CG1 VAL A 64 -12.395 1.319 -5.974 1.00 0.00 C ATOM 892 CG2 VAL A 64 -10.157 0.169 -5.809 1.00 0.00 C ATOM 0 H VAL A 64 -10.044 -1.124 -8.066 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.210 -1.421 -6.437 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.977 1.088 -7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.932 2.222 -5.577 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.195 1.593 -6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.807 0.732 -5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.738 1.095 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.490 -0.458 -4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.395 -0.360 -6.381 1.00 0.00 H new ATOM 902 N PHE A 65 -13.087 -0.108 -9.308 1.00 0.00 N ATOM 903 CA PHE A 65 -14.227 0.174 -10.163 1.00 0.00 C ATOM 904 C PHE A 65 -14.720 -1.098 -10.857 1.00 0.00 C ATOM 905 O PHE A 65 -15.874 -1.491 -10.693 1.00 0.00 O ATOM 906 CB PHE A 65 -13.756 1.170 -11.224 1.00 0.00 C ATOM 907 CG PHE A 65 -12.757 2.206 -10.705 1.00 0.00 C ATOM 908 CD1 PHE A 65 -12.786 2.583 -9.398 1.00 0.00 C ATOM 909 CD2 PHE A 65 -11.841 2.751 -11.550 1.00 0.00 C ATOM 910 CE1 PHE A 65 -11.860 3.545 -8.916 1.00 0.00 C ATOM 911 CE2 PHE A 65 -10.914 3.712 -11.067 1.00 0.00 C ATOM 912 CZ PHE A 65 -10.943 4.089 -9.761 1.00 0.00 C ATOM 0 H PHE A 65 -12.178 0.049 -9.744 1.00 0.00 H new ATOM 0 HA PHE A 65 -15.048 0.573 -9.568 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.299 0.620 -12.047 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.624 1.689 -11.631 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -13.514 2.150 -8.727 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.819 2.453 -12.588 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.883 3.845 -7.879 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.186 4.144 -11.737 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.238 4.820 -9.394 1.00 0.00 H new ATOM 922 N ASN A 66 -13.821 -1.705 -11.617 1.00 0.00 N ATOM 923 CA ASN A 66 -14.150 -2.923 -12.337 1.00 0.00 C ATOM 924 C ASN A 66 -15.002 -3.825 -11.442 1.00 0.00 C ATOM 925 O ASN A 66 -16.017 -4.363 -11.882 1.00 0.00 O ATOM 926 CB ASN A 66 -12.886 -3.696 -12.719 1.00 0.00 C ATOM 927 CG ASN A 66 -12.447 -3.358 -14.145 1.00 0.00 C ATOM 928 OD1 ASN A 66 -13.251 -3.203 -15.050 1.00 0.00 O ATOM 929 ND2 ASN A 66 -11.130 -3.254 -14.296 1.00 0.00 N ATOM 0 H ASN A 66 -12.865 -1.376 -11.750 1.00 0.00 H new ATOM 0 HA ASN A 66 -14.690 -2.644 -13.242 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.084 -3.456 -12.021 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.071 -4.767 -12.636 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.738 -3.032 -15.211 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.512 -3.396 -13.497 1.00 0.00 H new ATOM 936 N ASN A 67 -14.559 -3.963 -10.201 1.00 0.00 N ATOM 937 CA ASN A 67 -15.268 -4.790 -9.240 1.00 0.00 C ATOM 938 C ASN A 67 -16.454 -4.006 -8.676 1.00 0.00 C ATOM 939 O ASN A 67 -16.314 -2.841 -8.306 1.00 0.00 O ATOM 940 CB ASN A 67 -14.360 -5.179 -8.072 1.00 0.00 C ATOM 941 CG ASN A 67 -14.608 -6.626 -7.642 1.00 0.00 C ATOM 942 OD1 ASN A 67 -15.438 -6.915 -6.795 1.00 0.00 O ATOM 943 ND2 ASN A 67 -13.845 -7.515 -8.270 1.00 0.00 N ATOM 0 H ASN A 67 -13.717 -3.515 -9.839 1.00 0.00 H new ATOM 0 HA ASN A 67 -15.602 -5.692 -9.753 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.316 -5.056 -8.362 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.538 -4.510 -7.230 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.935 -8.508 -8.053 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.170 -7.205 -8.969 1.00 0.00 H new ATOM 950 N SER A 68 -17.597 -4.675 -8.628 1.00 0.00 N ATOM 951 CA SER A 68 -18.807 -4.055 -8.116 1.00 0.00 C ATOM 952 C SER A 68 -19.345 -4.859 -6.931 1.00 0.00 C ATOM 953 O SER A 68 -19.778 -5.999 -7.095 1.00 0.00 O ATOM 954 CB SER A 68 -19.872 -3.942 -9.208 1.00 0.00 C ATOM 955 OG SER A 68 -20.086 -5.182 -9.877 1.00 0.00 O ATOM 0 H SER A 68 -17.710 -5.641 -8.936 1.00 0.00 H new ATOM 0 HA SER A 68 -18.560 -3.047 -7.781 1.00 0.00 H new ATOM 0 HB2 SER A 68 -20.809 -3.602 -8.767 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.569 -3.187 -9.933 1.00 0.00 H new ATOM 0 HG SER A 68 -20.144 -5.904 -9.217 1.00 0.00 H new ATOM 961 N GLY A 69 -19.300 -4.234 -5.763 1.00 0.00 N ATOM 962 CA GLY A 69 -19.778 -4.877 -4.551 1.00 0.00 C ATOM 963 C GLY A 69 -18.716 -4.830 -3.451 1.00 0.00 C ATOM 964 O GLY A 69 -17.537 -4.619 -3.729 1.00 0.00 O ATOM 0 H GLY A 69 -18.940 -3.289 -5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -20.686 -4.382 -4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -20.041 -5.913 -4.764 1.00 0.00 H new ATOM 968 N PRO A 70 -19.185 -5.037 -2.191 1.00 0.00 N ATOM 969 CA PRO A 70 -18.289 -5.020 -1.047 1.00 0.00 C ATOM 970 C PRO A 70 -17.456 -6.302 -0.984 1.00 0.00 C ATOM 971 O PRO A 70 -16.236 -6.247 -0.835 1.00 0.00 O ATOM 972 CB PRO A 70 -19.195 -4.841 0.160 1.00 0.00 C ATOM 973 CG PRO A 70 -20.589 -5.230 -0.304 1.00 0.00 C ATOM 974 CD PRO A 70 -20.575 -5.291 -1.823 1.00 0.00 C ATOM 0 HA PRO A 70 -17.555 -4.216 -1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.870 -5.469 0.989 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -19.175 -3.810 0.514 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -20.875 -6.195 0.114 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -21.323 -4.503 0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -20.909 -6.264 -2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -21.242 -4.545 -2.256 1.00 0.00 H new ATOM 982 N SER A 71 -18.148 -7.426 -1.101 1.00 0.00 N ATOM 983 CA SER A 71 -17.487 -8.719 -1.060 1.00 0.00 C ATOM 984 C SER A 71 -16.829 -8.927 0.306 1.00 0.00 C ATOM 985 O SER A 71 -16.004 -8.120 0.731 1.00 0.00 O ATOM 986 CB SER A 71 -16.446 -8.842 -2.174 1.00 0.00 C ATOM 987 OG SER A 71 -15.534 -9.911 -1.938 1.00 0.00 O ATOM 0 H SER A 71 -19.160 -7.468 -1.224 1.00 0.00 H new ATOM 0 HA SER A 71 -18.239 -9.492 -1.216 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.952 -9.001 -3.126 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.893 -7.906 -2.258 1.00 0.00 H new ATOM 0 HG SER A 71 -14.887 -9.957 -2.672 1.00 0.00 H new ATOM 993 N SER A 72 -17.219 -10.014 0.956 1.00 0.00 N ATOM 994 CA SER A 72 -16.677 -10.339 2.264 1.00 0.00 C ATOM 995 C SER A 72 -17.111 -9.285 3.286 1.00 0.00 C ATOM 996 O SER A 72 -17.989 -9.537 4.109 1.00 0.00 O ATOM 997 CB SER A 72 -15.151 -10.439 2.220 1.00 0.00 C ATOM 998 OG SER A 72 -14.709 -11.458 1.328 1.00 0.00 O ATOM 0 H SER A 72 -17.904 -10.681 0.601 1.00 0.00 H new ATOM 0 HA SER A 72 -17.068 -11.311 2.564 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.734 -9.481 1.911 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.772 -10.644 3.221 1.00 0.00 H new ATOM 0 HG SER A 72 -13.729 -11.489 1.327 1.00 0.00 H new ATOM 1004 N GLY A 73 -16.474 -8.126 3.199 1.00 0.00 N ATOM 1005 CA GLY A 73 -16.783 -7.033 4.105 1.00 0.00 C ATOM 1006 C GLY A 73 -15.569 -6.122 4.299 1.00 0.00 C ATOM 1007 O GLY A 73 -15.669 -5.075 4.936 1.00 0.00 O ATOM 0 H GLY A 73 -15.746 -7.920 2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.618 -6.454 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.100 -7.433 5.068 1.00 0.00 H new TER 1011 GLY A 73