USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=19 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 22 SER OG : rot -90:sc= 0.0269 USER MOD Set 1.2: A 23 HIS : no HD1:sc=-0.000537 X(o=0.026,f=0) USER MOD Set 1.3: A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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= -1.19! C(o=-1.2!,f=-2.3!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 26 SER OG : rot 120:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.496 X(o=-0.5,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.116 USER MOD Single : A 32 SER OG : rot 180:sc= -0.75 USER MOD Single : A 35 THR OG1 : rot 94:sc= 1.01 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 85:sc= -0.188 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 81:sc= 0.743 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.472 F(o=-1.7,f=-0.47) USER MOD Single : A 67 ASN :FLIP amide:sc= -2.95! F(o=-4,f=-2.9!) USER MOD Single : A 68 SER OG : rot 18:sc= 0.0119 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.138 -29.121 -34.248 1.00 0.00 N ATOM 2 CA GLY A 1 -13.726 -29.463 -34.286 1.00 0.00 C ATOM 3 C GLY A 1 -13.146 -29.552 -32.873 1.00 0.00 C ATOM 4 O GLY A 1 -13.544 -30.411 -32.088 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.508 -29.067 -35.218 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.658 -29.850 -33.719 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.260 -28.201 -33.779 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.592 -30.416 -34.799 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.182 -28.713 -34.860 1.00 0.00 H new ATOM 8 N SER A 2 -12.214 -28.653 -32.593 1.00 0.00 N ATOM 9 CA SER A 2 -11.575 -28.619 -31.288 1.00 0.00 C ATOM 10 C SER A 2 -12.281 -27.606 -30.385 1.00 0.00 C ATOM 11 O SER A 2 -12.601 -27.910 -29.237 1.00 0.00 O ATOM 12 CB SER A 2 -10.089 -28.274 -31.412 1.00 0.00 C ATOM 13 OG SER A 2 -9.288 -29.036 -30.513 1.00 0.00 O ATOM 0 H SER A 2 -11.886 -27.943 -33.247 1.00 0.00 H new ATOM 0 HA SER A 2 -11.655 -29.610 -30.842 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.759 -28.455 -32.435 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.946 -27.212 -31.214 1.00 0.00 H new ATOM 0 HG SER A 2 -8.346 -28.788 -30.624 1.00 0.00 H new ATOM 19 N SER A 3 -12.505 -26.423 -30.938 1.00 0.00 N ATOM 20 CA SER A 3 -13.168 -25.364 -30.197 1.00 0.00 C ATOM 21 C SER A 3 -12.405 -25.074 -28.903 1.00 0.00 C ATOM 22 O SER A 3 -11.488 -24.254 -28.889 1.00 0.00 O ATOM 23 CB SER A 3 -14.619 -25.734 -29.887 1.00 0.00 C ATOM 24 OG SER A 3 -15.446 -25.673 -31.046 1.00 0.00 O ATOM 0 H SER A 3 -12.239 -26.175 -31.891 1.00 0.00 H new ATOM 0 HA SER A 3 -13.175 -24.466 -30.815 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.655 -26.740 -29.469 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.011 -25.058 -29.126 1.00 0.00 H new ATOM 0 HG SER A 3 -16.364 -25.918 -30.806 1.00 0.00 H new ATOM 30 N GLY A 4 -12.812 -25.764 -27.847 1.00 0.00 N ATOM 31 CA GLY A 4 -12.178 -25.591 -26.551 1.00 0.00 C ATOM 32 C GLY A 4 -11.575 -26.907 -26.056 1.00 0.00 C ATOM 33 O GLY A 4 -11.479 -27.873 -26.811 1.00 0.00 O ATOM 0 H GLY A 4 -13.573 -26.443 -27.863 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.398 -24.833 -26.622 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.910 -25.228 -25.830 1.00 0.00 H new ATOM 37 N SER A 5 -11.184 -26.902 -24.790 1.00 0.00 N ATOM 38 CA SER A 5 -10.593 -28.084 -24.185 1.00 0.00 C ATOM 39 C SER A 5 -11.433 -28.536 -22.989 1.00 0.00 C ATOM 40 O SER A 5 -11.900 -29.673 -22.949 1.00 0.00 O ATOM 41 CB SER A 5 -9.151 -27.816 -23.749 1.00 0.00 C ATOM 42 OG SER A 5 -8.206 -28.389 -24.649 1.00 0.00 O ATOM 0 H SER A 5 -11.265 -26.099 -24.167 1.00 0.00 H new ATOM 0 HA SER A 5 -10.578 -28.879 -24.931 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.985 -26.741 -23.686 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.993 -28.222 -22.750 1.00 0.00 H new ATOM 0 HG SER A 5 -7.298 -28.195 -24.337 1.00 0.00 H new ATOM 48 N SER A 6 -11.601 -27.622 -22.045 1.00 0.00 N ATOM 49 CA SER A 6 -12.377 -27.912 -20.852 1.00 0.00 C ATOM 50 C SER A 6 -11.748 -29.081 -20.090 1.00 0.00 C ATOM 51 O SER A 6 -10.896 -29.788 -20.625 1.00 0.00 O ATOM 52 CB SER A 6 -13.832 -28.230 -21.204 1.00 0.00 C ATOM 53 OG SER A 6 -14.743 -27.686 -20.253 1.00 0.00 O ATOM 0 H SER A 6 -11.213 -26.680 -22.082 1.00 0.00 H new ATOM 0 HA SER A 6 -12.371 -27.026 -20.217 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.061 -27.833 -22.193 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.964 -29.311 -21.256 1.00 0.00 H new ATOM 0 HG SER A 6 -15.661 -27.909 -20.514 1.00 0.00 H new ATOM 59 N GLY A 7 -12.193 -29.247 -18.853 1.00 0.00 N ATOM 60 CA GLY A 7 -11.685 -30.317 -18.012 1.00 0.00 C ATOM 61 C GLY A 7 -10.657 -29.787 -17.010 1.00 0.00 C ATOM 62 O GLY A 7 -11.020 -29.160 -16.016 1.00 0.00 O ATOM 0 H GLY A 7 -12.900 -28.658 -18.413 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.510 -30.787 -17.477 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.228 -31.087 -18.634 1.00 0.00 H new ATOM 66 N LEU A 8 -9.394 -30.057 -17.307 1.00 0.00 N ATOM 67 CA LEU A 8 -8.312 -29.615 -16.445 1.00 0.00 C ATOM 68 C LEU A 8 -6.974 -29.860 -17.147 1.00 0.00 C ATOM 69 O LEU A 8 -6.817 -30.848 -17.863 1.00 0.00 O ATOM 70 CB LEU A 8 -8.416 -30.278 -15.071 1.00 0.00 C ATOM 71 CG LEU A 8 -8.608 -29.334 -13.882 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.208 -30.073 -12.685 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.298 -28.630 -13.524 1.00 0.00 C ATOM 0 H LEU A 8 -9.096 -30.576 -18.133 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.385 -28.543 -16.262 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.250 -30.979 -15.091 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.512 -30.863 -14.903 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.320 -28.561 -14.172 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.334 -29.378 -11.854 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.178 -30.487 -12.962 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.541 -30.881 -12.385 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.462 -27.965 -12.676 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.545 -29.373 -13.262 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.952 -28.049 -14.379 1.00 0.00 H new ATOM 85 N LEU A 9 -6.045 -28.945 -16.916 1.00 0.00 N ATOM 86 CA LEU A 9 -4.726 -29.049 -17.517 1.00 0.00 C ATOM 87 C LEU A 9 -3.836 -29.927 -16.634 1.00 0.00 C ATOM 88 O LEU A 9 -4.071 -30.045 -15.432 1.00 0.00 O ATOM 89 CB LEU A 9 -4.147 -27.658 -17.784 1.00 0.00 C ATOM 90 CG LEU A 9 -3.473 -26.973 -16.593 1.00 0.00 C ATOM 91 CD1 LEU A 9 -4.416 -26.911 -15.390 1.00 0.00 C ATOM 92 CD2 LEU A 9 -2.147 -27.653 -16.248 1.00 0.00 C ATOM 0 H LEU A 9 -6.179 -28.128 -16.321 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.788 -29.535 -18.491 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.419 -27.738 -18.592 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.951 -27.014 -18.141 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.244 -25.945 -16.875 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.912 -26.420 -14.558 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.310 -26.347 -15.657 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.699 -27.922 -15.097 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.689 -27.147 -15.398 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.329 -28.697 -15.993 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.477 -27.600 -17.106 1.00 0.00 H new ATOM 104 N SER A 10 -2.833 -30.520 -17.264 1.00 0.00 N ATOM 105 CA SER A 10 -1.907 -31.383 -16.551 1.00 0.00 C ATOM 106 C SER A 10 -0.922 -30.538 -15.741 1.00 0.00 C ATOM 107 O SER A 10 0.001 -29.949 -16.300 1.00 0.00 O ATOM 108 CB SER A 10 -1.152 -32.299 -17.517 1.00 0.00 C ATOM 109 OG SER A 10 -1.123 -33.648 -17.061 1.00 0.00 O ATOM 0 H SER A 10 -2.641 -30.420 -18.261 1.00 0.00 H new ATOM 0 HA SER A 10 -2.481 -32.012 -15.871 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.624 -32.258 -18.499 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.132 -31.935 -17.639 1.00 0.00 H new ATOM 0 HG SER A 10 -0.634 -34.201 -17.706 1.00 0.00 H new ATOM 115 N HIS A 11 -1.153 -30.506 -14.437 1.00 0.00 N ATOM 116 CA HIS A 11 -0.297 -29.743 -13.544 1.00 0.00 C ATOM 117 C HIS A 11 1.068 -30.425 -13.434 1.00 0.00 C ATOM 118 O HIS A 11 1.382 -31.034 -12.412 1.00 0.00 O ATOM 119 CB HIS A 11 -0.971 -29.543 -12.185 1.00 0.00 C ATOM 120 CG HIS A 11 -0.961 -30.772 -11.308 1.00 0.00 C ATOM 121 ND1 HIS A 11 -1.120 -32.052 -11.809 1.00 0.00 N ATOM 122 CD2 HIS A 11 -0.810 -30.903 -9.959 1.00 0.00 C ATOM 123 CE1 HIS A 11 -1.065 -32.907 -10.798 1.00 0.00 C ATOM 124 NE2 HIS A 11 -0.874 -32.192 -9.652 1.00 0.00 N ATOM 0 H HIS A 11 -1.920 -30.996 -13.977 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.134 -28.746 -13.954 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -0.471 -28.730 -11.659 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.003 -29.232 -12.345 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.663 -30.094 -9.259 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.155 -33.981 -10.869 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.794 -32.584 -8.714 1.00 0.00 H new ATOM 132 N MET A 12 1.844 -30.301 -14.502 1.00 0.00 N ATOM 133 CA MET A 12 3.168 -30.898 -14.538 1.00 0.00 C ATOM 134 C MET A 12 4.198 -29.987 -13.867 1.00 0.00 C ATOM 135 O MET A 12 3.953 -28.796 -13.682 1.00 0.00 O ATOM 136 CB MET A 12 3.576 -31.146 -15.991 1.00 0.00 C ATOM 137 CG MET A 12 4.212 -32.528 -16.154 1.00 0.00 C ATOM 138 SD MET A 12 3.473 -33.382 -17.536 1.00 0.00 S ATOM 139 CE MET A 12 4.344 -34.937 -17.441 1.00 0.00 C ATOM 0 H MET A 12 1.581 -29.796 -15.348 1.00 0.00 H new ATOM 0 HA MET A 12 3.136 -31.842 -13.994 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.702 -31.066 -16.637 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.280 -30.378 -16.311 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.286 -32.427 -16.311 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.076 -33.109 -15.242 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.001 -35.595 -18.239 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.414 -34.762 -17.550 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.149 -35.405 -16.476 1.00 0.00 H new ATOM 149 N ASP A 13 5.330 -30.583 -13.519 1.00 0.00 N ATOM 150 CA ASP A 13 6.398 -29.841 -12.873 1.00 0.00 C ATOM 151 C ASP A 13 6.993 -28.842 -13.867 1.00 0.00 C ATOM 152 O ASP A 13 7.895 -29.183 -14.631 1.00 0.00 O ATOM 153 CB ASP A 13 7.519 -30.776 -12.414 1.00 0.00 C ATOM 154 CG ASP A 13 7.995 -31.780 -13.466 1.00 0.00 C ATOM 155 OD1 ASP A 13 7.359 -32.852 -13.555 1.00 0.00 O ATOM 156 OD2 ASP A 13 8.984 -31.452 -14.156 1.00 0.00 O ATOM 0 H ASP A 13 5.530 -31.571 -13.673 1.00 0.00 H new ATOM 0 HA ASP A 13 5.977 -29.330 -12.007 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.370 -30.172 -12.099 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.177 -31.326 -11.537 1.00 0.00 H new ATOM 161 N ASP A 14 6.466 -27.627 -13.824 1.00 0.00 N ATOM 162 CA ASP A 14 6.934 -26.576 -14.711 1.00 0.00 C ATOM 163 C ASP A 14 8.380 -26.223 -14.358 1.00 0.00 C ATOM 164 O ASP A 14 8.770 -26.281 -13.193 1.00 0.00 O ATOM 165 CB ASP A 14 6.087 -25.311 -14.560 1.00 0.00 C ATOM 166 CG ASP A 14 4.610 -25.554 -14.244 1.00 0.00 C ATOM 167 OD1 ASP A 14 4.353 -26.322 -13.292 1.00 0.00 O ATOM 168 OD2 ASP A 14 3.772 -24.968 -14.962 1.00 0.00 O ATOM 0 H ASP A 14 5.719 -27.347 -13.188 1.00 0.00 H new ATOM 0 HA ASP A 14 6.858 -26.940 -15.736 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.516 -24.697 -13.768 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.155 -24.734 -15.482 1.00 0.00 H new ATOM 173 N PRO A 15 9.155 -25.854 -15.412 1.00 0.00 N ATOM 174 CA PRO A 15 10.550 -25.491 -15.225 1.00 0.00 C ATOM 175 C PRO A 15 10.675 -24.099 -14.602 1.00 0.00 C ATOM 176 O PRO A 15 10.707 -23.963 -13.380 1.00 0.00 O ATOM 177 CB PRO A 15 11.169 -25.580 -16.610 1.00 0.00 C ATOM 178 CG PRO A 15 10.007 -25.535 -17.590 1.00 0.00 C ATOM 179 CD PRO A 15 8.727 -25.773 -16.806 1.00 0.00 C ATOM 0 HA PRO A 15 11.067 -26.152 -14.529 1.00 0.00 H new ATOM 0 HB2 PRO A 15 11.858 -24.754 -16.783 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.740 -26.501 -16.724 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.971 -24.570 -18.096 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.129 -26.295 -18.362 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.015 -24.961 -16.955 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.234 -26.692 -17.123 1.00 0.00 H new ATOM 187 N ASP A 16 10.743 -23.101 -15.471 1.00 0.00 N ATOM 188 CA ASP A 16 10.864 -21.725 -15.021 1.00 0.00 C ATOM 189 C ASP A 16 9.724 -20.896 -15.616 1.00 0.00 C ATOM 190 O ASP A 16 9.928 -20.148 -16.570 1.00 0.00 O ATOM 191 CB ASP A 16 12.186 -21.109 -15.482 1.00 0.00 C ATOM 192 CG ASP A 16 12.314 -19.602 -15.249 1.00 0.00 C ATOM 193 OD1 ASP A 16 11.891 -19.159 -14.160 1.00 0.00 O ATOM 194 OD2 ASP A 16 12.832 -18.928 -16.166 1.00 0.00 O ATOM 0 H ASP A 16 10.717 -23.218 -16.484 1.00 0.00 H new ATOM 0 HA ASP A 16 10.825 -21.722 -13.932 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.003 -21.612 -14.965 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.311 -21.309 -16.546 1.00 0.00 H new ATOM 199 N ILE A 17 8.548 -21.058 -15.027 1.00 0.00 N ATOM 200 CA ILE A 17 7.375 -20.334 -15.487 1.00 0.00 C ATOM 201 C ILE A 17 6.908 -19.377 -14.388 1.00 0.00 C ATOM 202 O ILE A 17 7.725 -18.722 -13.742 1.00 0.00 O ATOM 203 CB ILE A 17 6.292 -21.309 -15.953 1.00 0.00 C ATOM 204 CG1 ILE A 17 6.913 -22.573 -16.551 1.00 0.00 C ATOM 205 CG2 ILE A 17 5.325 -20.631 -16.926 1.00 0.00 C ATOM 206 CD1 ILE A 17 7.776 -22.237 -17.770 1.00 0.00 C ATOM 0 H ILE A 17 8.382 -21.680 -14.236 1.00 0.00 H new ATOM 0 HA ILE A 17 7.620 -19.726 -16.358 1.00 0.00 H new ATOM 0 HB ILE A 17 5.711 -21.615 -15.083 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.521 -23.075 -15.798 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.125 -23.268 -16.840 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.565 -21.346 -17.242 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.845 -19.786 -16.432 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.875 -20.277 -17.798 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.205 -23.153 -18.176 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.160 -21.757 -18.531 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.578 -21.561 -17.473 1.00 0.00 H new ATOM 218 N ASP A 18 5.596 -19.326 -14.210 1.00 0.00 N ATOM 219 CA ASP A 18 5.011 -18.460 -13.200 1.00 0.00 C ATOM 220 C ASP A 18 4.793 -19.259 -11.914 1.00 0.00 C ATOM 221 O ASP A 18 3.655 -19.507 -11.519 1.00 0.00 O ATOM 222 CB ASP A 18 3.655 -17.920 -13.657 1.00 0.00 C ATOM 223 CG ASP A 18 3.193 -16.646 -12.947 1.00 0.00 C ATOM 224 OD1 ASP A 18 3.479 -16.537 -11.735 1.00 0.00 O ATOM 225 OD2 ASP A 18 2.565 -15.810 -13.631 1.00 0.00 O ATOM 0 H ASP A 18 4.922 -19.870 -14.748 1.00 0.00 H new ATOM 0 HA ASP A 18 5.693 -17.627 -13.033 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.701 -17.724 -14.728 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.903 -18.695 -13.507 1.00 0.00 H new ATOM 230 N ALA A 19 5.902 -19.638 -11.296 1.00 0.00 N ATOM 231 CA ALA A 19 5.846 -20.403 -10.062 1.00 0.00 C ATOM 232 C ALA A 19 5.205 -21.765 -10.340 1.00 0.00 C ATOM 233 O ALA A 19 4.005 -21.850 -10.593 1.00 0.00 O ATOM 234 CB ALA A 19 5.085 -19.607 -9.000 1.00 0.00 C ATOM 0 H ALA A 19 6.844 -19.430 -11.627 1.00 0.00 H new ATOM 0 HA ALA A 19 6.850 -20.583 -9.677 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.044 -20.182 -8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.597 -18.662 -8.818 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.072 -19.409 -9.350 1.00 0.00 H new ATOM 240 N PRO A 20 6.057 -22.824 -10.281 1.00 0.00 N ATOM 241 CA PRO A 20 5.587 -24.177 -10.523 1.00 0.00 C ATOM 242 C PRO A 20 4.794 -24.704 -9.326 1.00 0.00 C ATOM 243 O PRO A 20 5.099 -25.772 -8.796 1.00 0.00 O ATOM 244 CB PRO A 20 6.842 -24.985 -10.806 1.00 0.00 C ATOM 245 CG PRO A 20 7.999 -24.165 -10.258 1.00 0.00 C ATOM 246 CD PRO A 20 7.485 -22.761 -9.983 1.00 0.00 C ATOM 0 HA PRO A 20 4.893 -24.237 -11.362 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.794 -25.962 -10.325 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.960 -25.161 -11.875 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.387 -24.615 -9.344 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.820 -24.138 -10.974 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.661 -22.471 -8.947 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.988 -22.025 -10.610 1.00 0.00 H new ATOM 254 N ILE A 21 3.791 -23.932 -8.934 1.00 0.00 N ATOM 255 CA ILE A 21 2.952 -24.307 -7.809 1.00 0.00 C ATOM 256 C ILE A 21 3.805 -24.372 -6.541 1.00 0.00 C ATOM 257 O ILE A 21 4.897 -24.939 -6.551 1.00 0.00 O ATOM 258 CB ILE A 21 2.200 -25.605 -8.111 1.00 0.00 C ATOM 259 CG1 ILE A 21 1.065 -25.362 -9.108 1.00 0.00 C ATOM 260 CG2 ILE A 21 1.701 -26.263 -6.823 1.00 0.00 C ATOM 261 CD1 ILE A 21 0.745 -26.634 -9.896 1.00 0.00 C ATOM 0 H ILE A 21 3.541 -23.048 -9.376 1.00 0.00 H new ATOM 0 HA ILE A 21 2.184 -23.552 -7.639 1.00 0.00 H new ATOM 0 HB ILE A 21 2.896 -26.301 -8.579 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.175 -25.026 -8.576 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.345 -24.565 -9.796 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.170 -27.183 -7.067 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.550 -26.493 -6.179 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.027 -25.582 -6.304 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.065 -26.433 -10.597 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.630 -26.954 -10.446 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.442 -27.422 -9.207 1.00 0.00 H new ATOM 273 N SER A 22 3.275 -23.783 -5.479 1.00 0.00 N ATOM 274 CA SER A 22 3.975 -23.767 -4.205 1.00 0.00 C ATOM 275 C SER A 22 3.107 -23.095 -3.140 1.00 0.00 C ATOM 276 O SER A 22 2.619 -23.755 -2.224 1.00 0.00 O ATOM 277 CB SER A 22 5.320 -23.048 -4.325 1.00 0.00 C ATOM 278 OG SER A 22 6.198 -23.377 -3.252 1.00 0.00 O ATOM 0 H SER A 22 2.370 -23.313 -5.474 1.00 0.00 H new ATOM 0 HA SER A 22 4.170 -24.798 -3.908 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.790 -23.313 -5.272 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.155 -21.971 -4.341 1.00 0.00 H new ATOM 0 HG SER A 22 6.065 -22.745 -2.515 1.00 0.00 H new ATOM 284 N HIS A 23 2.940 -21.790 -3.296 1.00 0.00 N ATOM 285 CA HIS A 23 2.139 -21.021 -2.358 1.00 0.00 C ATOM 286 C HIS A 23 1.885 -19.623 -2.926 1.00 0.00 C ATOM 287 O HIS A 23 2.687 -19.111 -3.706 1.00 0.00 O ATOM 288 CB HIS A 23 2.798 -20.989 -0.978 1.00 0.00 C ATOM 289 CG HIS A 23 4.126 -20.271 -0.948 1.00 0.00 C ATOM 290 ND1 HIS A 23 5.339 -20.934 -1.010 1.00 0.00 N ATOM 291 CD2 HIS A 23 4.418 -18.941 -0.863 1.00 0.00 C ATOM 292 CE1 HIS A 23 6.311 -20.035 -0.963 1.00 0.00 C ATOM 293 NE2 HIS A 23 5.738 -18.800 -0.871 1.00 0.00 N ATOM 0 H HIS A 23 3.345 -21.246 -4.057 1.00 0.00 H new ATOM 0 HA HIS A 23 1.170 -21.502 -2.222 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.120 -20.507 -0.274 1.00 0.00 H new ATOM 0 HB3 HIS A 23 2.942 -22.012 -0.632 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.697 -18.139 -0.800 1.00 0.00 H new ATOM 0 HE1 HIS A 23 7.370 -20.243 -0.992 1.00 0.00 H new ATOM 0 HE2 HIS A 23 6.241 -17.914 -0.817 1.00 0.00 H new ATOM 301 N GLN A 24 0.767 -19.045 -2.513 1.00 0.00 N ATOM 302 CA GLN A 24 0.398 -17.716 -2.970 1.00 0.00 C ATOM 303 C GLN A 24 0.602 -16.693 -1.851 1.00 0.00 C ATOM 304 O GLN A 24 0.315 -16.974 -0.688 1.00 0.00 O ATOM 305 CB GLN A 24 -1.045 -17.692 -3.478 1.00 0.00 C ATOM 306 CG GLN A 24 -1.087 -17.572 -5.003 1.00 0.00 C ATOM 307 CD GLN A 24 -2.439 -18.035 -5.552 1.00 0.00 C ATOM 308 OE1 GLN A 24 -3.490 -17.754 -5.001 1.00 0.00 O ATOM 309 NE2 GLN A 24 -2.351 -18.759 -6.664 1.00 0.00 N ATOM 0 H GLN A 24 0.104 -19.473 -1.866 1.00 0.00 H new ATOM 0 HA GLN A 24 1.047 -17.447 -3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.559 -18.601 -3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.579 -16.854 -3.029 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.907 -16.537 -5.295 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.288 -18.171 -5.441 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.438 -18.957 -7.073 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.197 -19.116 -7.108 1.00 0.00 H new ATOM 318 N THR A 25 1.097 -15.527 -2.240 1.00 0.00 N ATOM 319 CA THR A 25 1.343 -14.461 -1.284 1.00 0.00 C ATOM 320 C THR A 25 0.925 -13.112 -1.871 1.00 0.00 C ATOM 321 O THR A 25 0.944 -12.927 -3.087 1.00 0.00 O ATOM 322 CB THR A 25 2.818 -14.518 -0.881 1.00 0.00 C ATOM 323 OG1 THR A 25 2.879 -15.585 0.062 1.00 0.00 O ATOM 324 CG2 THR A 25 3.255 -13.289 -0.083 1.00 0.00 C ATOM 0 H THR A 25 1.334 -15.297 -3.205 1.00 0.00 H new ATOM 0 HA THR A 25 0.741 -14.589 -0.385 1.00 0.00 H new ATOM 0 HB THR A 25 3.435 -14.608 -1.775 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.802 -15.693 0.375 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.309 -13.380 0.178 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.106 -12.393 -0.685 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.661 -13.217 0.828 1.00 0.00 H new ATOM 332 N SER A 26 0.557 -12.203 -0.979 1.00 0.00 N ATOM 333 CA SER A 26 0.135 -10.876 -1.393 1.00 0.00 C ATOM 334 C SER A 26 1.303 -9.895 -1.275 1.00 0.00 C ATOM 335 O SER A 26 1.806 -9.399 -2.282 1.00 0.00 O ATOM 336 CB SER A 26 -1.052 -10.390 -0.560 1.00 0.00 C ATOM 337 OG SER A 26 -2.284 -10.508 -1.267 1.00 0.00 O ATOM 0 H SER A 26 0.543 -12.360 0.029 1.00 0.00 H new ATOM 0 HA SER A 26 -0.184 -10.928 -2.434 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.107 -10.967 0.363 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.895 -9.349 -0.277 1.00 0.00 H new ATOM 0 HG SER A 26 -2.889 -11.101 -0.774 1.00 0.00 H new ATOM 343 N ASP A 27 1.701 -9.644 -0.036 1.00 0.00 N ATOM 344 CA ASP A 27 2.800 -8.731 0.227 1.00 0.00 C ATOM 345 C ASP A 27 2.405 -7.322 -0.220 1.00 0.00 C ATOM 346 O ASP A 27 3.268 -6.482 -0.469 1.00 0.00 O ATOM 347 CB ASP A 27 4.053 -9.140 -0.549 1.00 0.00 C ATOM 348 CG ASP A 27 5.304 -9.349 0.306 1.00 0.00 C ATOM 349 OD1 ASP A 27 5.365 -8.722 1.386 1.00 0.00 O ATOM 350 OD2 ASP A 27 6.172 -10.131 -0.139 1.00 0.00 O ATOM 0 H ASP A 27 1.282 -10.057 0.797 1.00 0.00 H new ATOM 0 HA ASP A 27 3.013 -8.758 1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.842 -10.063 -1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.265 -8.375 -1.296 1.00 0.00 H new ATOM 355 N ILE A 28 1.101 -7.108 -0.308 1.00 0.00 N ATOM 356 CA ILE A 28 0.581 -5.815 -0.721 1.00 0.00 C ATOM 357 C ILE A 28 1.413 -4.706 -0.074 1.00 0.00 C ATOM 358 O ILE A 28 1.234 -4.398 1.103 1.00 0.00 O ATOM 359 CB ILE A 28 -0.915 -5.718 -0.419 1.00 0.00 C ATOM 360 CG1 ILE A 28 -1.704 -6.762 -1.212 1.00 0.00 C ATOM 361 CG2 ILE A 28 -1.433 -4.299 -0.665 1.00 0.00 C ATOM 362 CD1 ILE A 28 -2.852 -7.333 -0.378 1.00 0.00 C ATOM 0 H ILE A 28 0.389 -7.808 -0.100 1.00 0.00 H new ATOM 0 HA ILE A 28 0.673 -5.694 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.065 -5.937 0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.100 -6.310 -2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.039 -7.568 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.499 -4.257 -0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.900 -3.600 -0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.269 -4.027 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.396 -8.072 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.450 -7.806 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.529 -6.528 -0.091 1.00 0.00 H new ATOM 374 N ASP A 29 2.304 -4.136 -0.872 1.00 0.00 N ATOM 375 CA ASP A 29 3.164 -3.068 -0.391 1.00 0.00 C ATOM 376 C ASP A 29 2.336 -2.089 0.444 1.00 0.00 C ATOM 377 O ASP A 29 1.253 -1.676 0.031 1.00 0.00 O ATOM 378 CB ASP A 29 3.781 -2.291 -1.556 1.00 0.00 C ATOM 379 CG ASP A 29 4.292 -3.155 -2.710 1.00 0.00 C ATOM 380 OD1 ASP A 29 4.431 -4.376 -2.487 1.00 0.00 O ATOM 381 OD2 ASP A 29 4.533 -2.573 -3.790 1.00 0.00 O ATOM 0 H ASP A 29 2.449 -4.394 -1.848 1.00 0.00 H new ATOM 0 HA ASP A 29 3.959 -3.517 0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.037 -1.596 -1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.609 -1.692 -1.176 1.00 0.00 H new ATOM 386 N GLN A 30 2.876 -1.746 1.604 1.00 0.00 N ATOM 387 CA GLN A 30 2.200 -0.824 2.501 1.00 0.00 C ATOM 388 C GLN A 30 2.076 0.554 1.849 1.00 0.00 C ATOM 389 O GLN A 30 1.058 1.228 2.003 1.00 0.00 O ATOM 390 CB GLN A 30 2.929 -0.732 3.843 1.00 0.00 C ATOM 391 CG GLN A 30 2.171 0.172 4.818 1.00 0.00 C ATOM 392 CD GLN A 30 1.149 -0.630 5.627 1.00 0.00 C ATOM 393 OE1 GLN A 30 1.367 -0.984 6.774 1.00 0.00 O ATOM 394 NE2 GLN A 30 0.024 -0.894 4.968 1.00 0.00 N ATOM 0 H GLN A 30 3.774 -2.090 1.944 1.00 0.00 H new ATOM 0 HA GLN A 30 1.197 -1.205 2.695 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.035 -1.728 4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.935 -0.343 3.688 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.876 0.656 5.494 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.663 0.963 4.266 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.094 -0.568 4.009 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.721 -1.423 5.422 1.00 0.00 H new ATOM 403 N SER A 31 3.125 0.933 1.135 1.00 0.00 N ATOM 404 CA SER A 31 3.146 2.220 0.460 1.00 0.00 C ATOM 405 C SER A 31 2.022 2.285 -0.576 1.00 0.00 C ATOM 406 O SER A 31 1.430 3.342 -0.789 1.00 0.00 O ATOM 407 CB SER A 31 4.499 2.468 -0.210 1.00 0.00 C ATOM 408 OG SER A 31 5.441 1.443 0.093 1.00 0.00 O ATOM 0 H SER A 31 3.967 0.372 1.009 1.00 0.00 H new ATOM 0 HA SER A 31 2.991 3.000 1.205 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.363 2.528 -1.290 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.894 3.431 0.115 1.00 0.00 H new ATOM 0 HG SER A 31 6.291 1.637 -0.355 1.00 0.00 H new ATOM 414 N SER A 32 1.761 1.141 -1.192 1.00 0.00 N ATOM 415 CA SER A 32 0.718 1.055 -2.200 1.00 0.00 C ATOM 416 C SER A 32 -0.652 1.279 -1.556 1.00 0.00 C ATOM 417 O SER A 32 -1.416 2.136 -1.995 1.00 0.00 O ATOM 418 CB SER A 32 0.753 -0.296 -2.916 1.00 0.00 C ATOM 419 OG SER A 32 1.972 -0.491 -3.629 1.00 0.00 O ATOM 0 H SER A 32 2.254 0.266 -1.012 1.00 0.00 H new ATOM 0 HA SER A 32 0.895 1.833 -2.942 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.628 -1.096 -2.187 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.086 -0.361 -3.608 1.00 0.00 H new ATOM 0 HG SER A 32 1.956 -1.366 -4.071 1.00 0.00 H new ATOM 425 N VAL A 33 -0.921 0.492 -0.524 1.00 0.00 N ATOM 426 CA VAL A 33 -2.185 0.593 0.185 1.00 0.00 C ATOM 427 C VAL A 33 -2.489 2.065 0.469 1.00 0.00 C ATOM 428 O VAL A 33 -3.641 2.490 0.393 1.00 0.00 O ATOM 429 CB VAL A 33 -2.145 -0.265 1.451 1.00 0.00 C ATOM 430 CG1 VAL A 33 -3.465 -0.171 2.219 1.00 0.00 C ATOM 431 CG2 VAL A 33 -1.806 -1.719 1.118 1.00 0.00 C ATOM 0 H VAL A 33 -0.285 -0.218 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.999 0.206 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.355 0.124 2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.410 -0.790 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.647 0.865 2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.280 -0.521 1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.784 -2.307 2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.562 -2.124 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.830 -1.764 0.635 1.00 0.00 H new ATOM 441 N ASP A 34 -1.437 2.802 0.790 1.00 0.00 N ATOM 442 CA ASP A 34 -1.577 4.218 1.086 1.00 0.00 C ATOM 443 C ASP A 34 -1.703 4.998 -0.224 1.00 0.00 C ATOM 444 O ASP A 34 -2.472 5.955 -0.309 1.00 0.00 O ATOM 445 CB ASP A 34 -0.353 4.748 1.835 1.00 0.00 C ATOM 446 CG ASP A 34 -0.596 6.016 2.657 1.00 0.00 C ATOM 447 OD1 ASP A 34 -1.773 6.247 3.008 1.00 0.00 O ATOM 448 OD2 ASP A 34 0.400 6.725 2.914 1.00 0.00 O ATOM 0 H ASP A 34 -0.483 2.446 0.852 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.464 4.346 1.707 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.013 3.966 2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.438 4.948 1.112 1.00 0.00 H new ATOM 453 N THR A 35 -0.938 4.560 -1.213 1.00 0.00 N ATOM 454 CA THR A 35 -0.955 5.206 -2.515 1.00 0.00 C ATOM 455 C THR A 35 -2.392 5.350 -3.020 1.00 0.00 C ATOM 456 O THR A 35 -2.703 6.284 -3.758 1.00 0.00 O ATOM 457 CB THR A 35 -0.059 4.397 -3.455 1.00 0.00 C ATOM 458 OG1 THR A 35 1.251 4.573 -2.922 1.00 0.00 O ATOM 459 CG2 THR A 35 0.023 5.009 -4.855 1.00 0.00 C ATOM 0 H THR A 35 -0.302 3.766 -1.139 1.00 0.00 H new ATOM 0 HA THR A 35 -0.560 6.221 -2.459 1.00 0.00 H new ATOM 0 HB THR A 35 -0.435 3.376 -3.526 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.457 3.836 -2.310 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.671 4.397 -5.482 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.974 5.049 -5.293 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.431 6.018 -4.788 1.00 0.00 H new ATOM 467 N LEU A 36 -3.229 4.413 -2.601 1.00 0.00 N ATOM 468 CA LEU A 36 -4.626 4.424 -3.002 1.00 0.00 C ATOM 469 C LEU A 36 -5.439 5.222 -1.980 1.00 0.00 C ATOM 470 O LEU A 36 -6.508 5.739 -2.300 1.00 0.00 O ATOM 471 CB LEU A 36 -5.134 2.996 -3.213 1.00 0.00 C ATOM 472 CG LEU A 36 -4.689 2.310 -4.506 1.00 0.00 C ATOM 473 CD1 LEU A 36 -4.478 0.811 -4.286 1.00 0.00 C ATOM 474 CD2 LEU A 36 -5.675 2.589 -5.642 1.00 0.00 C ATOM 0 H LEU A 36 -2.967 3.641 -1.988 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.743 4.924 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.806 2.387 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.224 3.012 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.728 2.731 -4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.162 0.347 -5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.710 0.659 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.411 0.357 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.335 2.090 -6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.661 2.213 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.732 3.663 -5.818 1.00 0.00 H new ATOM 486 N LEU A 37 -4.900 5.296 -0.772 1.00 0.00 N ATOM 487 CA LEU A 37 -5.562 6.022 0.299 1.00 0.00 C ATOM 488 C LEU A 37 -5.670 7.500 -0.083 1.00 0.00 C ATOM 489 O LEU A 37 -6.688 8.140 0.179 1.00 0.00 O ATOM 490 CB LEU A 37 -4.848 5.782 1.630 1.00 0.00 C ATOM 491 CG LEU A 37 -5.155 4.454 2.326 1.00 0.00 C ATOM 492 CD1 LEU A 37 -4.134 4.164 3.429 1.00 0.00 C ATOM 493 CD2 LEU A 37 -6.591 4.431 2.854 1.00 0.00 C ATOM 0 H LEU A 37 -4.013 4.865 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.578 5.653 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.773 5.840 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.106 6.594 2.310 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.070 3.655 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.375 3.215 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.136 4.108 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.163 4.962 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.783 3.477 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.728 5.241 3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.286 4.559 2.024 1.00 0.00 H new ATOM 505 N SER A 38 -4.608 7.998 -0.697 1.00 0.00 N ATOM 506 CA SER A 38 -4.570 9.389 -1.118 1.00 0.00 C ATOM 507 C SER A 38 -5.536 9.608 -2.285 1.00 0.00 C ATOM 508 O SER A 38 -6.238 10.617 -2.332 1.00 0.00 O ATOM 509 CB SER A 38 -3.153 9.805 -1.517 1.00 0.00 C ATOM 510 OG SER A 38 -2.593 10.738 -0.597 1.00 0.00 O ATOM 0 H SER A 38 -3.767 7.464 -0.914 1.00 0.00 H new ATOM 0 HA SER A 38 -4.878 10.010 -0.277 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.517 8.921 -1.570 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.171 10.245 -2.514 1.00 0.00 H new ATOM 0 HG SER A 38 -1.688 10.978 -0.885 1.00 0.00 H new ATOM 516 N PHE A 39 -5.540 8.647 -3.197 1.00 0.00 N ATOM 517 CA PHE A 39 -6.407 8.723 -4.360 1.00 0.00 C ATOM 518 C PHE A 39 -7.856 8.989 -3.947 1.00 0.00 C ATOM 519 O PHE A 39 -8.513 9.867 -4.504 1.00 0.00 O ATOM 520 CB PHE A 39 -6.331 7.367 -5.064 1.00 0.00 C ATOM 521 CG PHE A 39 -5.165 7.241 -6.047 1.00 0.00 C ATOM 522 CD1 PHE A 39 -3.916 7.630 -5.674 1.00 0.00 C ATOM 523 CD2 PHE A 39 -5.377 6.739 -7.293 1.00 0.00 C ATOM 524 CE1 PHE A 39 -2.834 7.513 -6.585 1.00 0.00 C ATOM 525 CE2 PHE A 39 -4.294 6.622 -8.205 1.00 0.00 C ATOM 526 CZ PHE A 39 -3.046 7.011 -7.832 1.00 0.00 C ATOM 0 H PHE A 39 -4.956 7.812 -3.154 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.087 9.537 -5.010 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.245 6.583 -4.312 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.265 7.194 -5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.748 8.028 -4.684 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.368 6.429 -7.589 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.843 7.822 -6.289 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.462 6.224 -9.195 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.223 6.922 -8.525 1.00 0.00 H new ATOM 536 N GLY A 40 -8.312 8.214 -2.973 1.00 0.00 N ATOM 537 CA GLY A 40 -9.671 8.355 -2.479 1.00 0.00 C ATOM 538 C GLY A 40 -10.356 6.992 -2.362 1.00 0.00 C ATOM 539 O GLY A 40 -11.401 6.764 -2.969 1.00 0.00 O ATOM 0 H GLY A 40 -7.764 7.487 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.659 8.845 -1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.241 8.996 -3.151 1.00 0.00 H new ATOM 543 N PHE A 41 -9.739 6.121 -1.577 1.00 0.00 N ATOM 544 CA PHE A 41 -10.276 4.786 -1.373 1.00 0.00 C ATOM 545 C PHE A 41 -10.031 4.310 0.060 1.00 0.00 C ATOM 546 O PHE A 41 -9.134 4.808 0.739 1.00 0.00 O ATOM 547 CB PHE A 41 -9.541 3.856 -2.340 1.00 0.00 C ATOM 548 CG PHE A 41 -9.544 4.338 -3.792 1.00 0.00 C ATOM 549 CD1 PHE A 41 -10.723 4.515 -4.446 1.00 0.00 C ATOM 550 CD2 PHE A 41 -8.369 4.590 -4.427 1.00 0.00 C ATOM 551 CE1 PHE A 41 -10.727 4.962 -5.794 1.00 0.00 C ATOM 552 CE2 PHE A 41 -8.372 5.037 -5.775 1.00 0.00 C ATOM 553 CZ PHE A 41 -9.551 5.214 -6.430 1.00 0.00 C ATOM 0 H PHE A 41 -8.872 6.314 -1.075 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.352 4.787 -1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -8.509 3.745 -2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.998 2.868 -2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.656 4.316 -3.940 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.433 4.450 -3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.663 5.102 -6.314 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.438 5.236 -6.280 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.554 5.555 -7.455 1.00 0.00 H new ATOM 563 N ALA A 42 -10.844 3.351 0.478 1.00 0.00 N ATOM 564 CA ALA A 42 -10.726 2.802 1.818 1.00 0.00 C ATOM 565 C ALA A 42 -9.463 1.943 1.904 1.00 0.00 C ATOM 566 O ALA A 42 -9.016 1.389 0.902 1.00 0.00 O ATOM 567 CB ALA A 42 -11.992 2.013 2.160 1.00 0.00 C ATOM 0 H ALA A 42 -11.587 2.940 -0.088 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.631 3.601 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.904 1.601 3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.857 2.675 2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.119 1.200 1.445 1.00 0.00 H new ATOM 573 N GLU A 43 -8.924 1.859 3.112 1.00 0.00 N ATOM 574 CA GLU A 43 -7.721 1.077 3.342 1.00 0.00 C ATOM 575 C GLU A 43 -7.965 -0.390 2.979 1.00 0.00 C ATOM 576 O GLU A 43 -7.049 -1.085 2.543 1.00 0.00 O ATOM 577 CB GLU A 43 -7.248 1.212 4.790 1.00 0.00 C ATOM 578 CG GLU A 43 -5.720 1.175 4.873 1.00 0.00 C ATOM 579 CD GLU A 43 -5.252 0.133 5.891 1.00 0.00 C ATOM 580 OE1 GLU A 43 -5.338 -1.068 5.555 1.00 0.00 O ATOM 581 OE2 GLU A 43 -4.819 0.561 6.983 1.00 0.00 O ATOM 0 H GLU A 43 -9.298 2.320 3.941 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.931 1.464 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.616 2.148 5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.668 0.405 5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.304 0.943 3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.343 2.158 5.154 1.00 0.00 H new ATOM 588 N ASP A 44 -9.204 -0.817 3.173 1.00 0.00 N ATOM 589 CA ASP A 44 -9.579 -2.188 2.872 1.00 0.00 C ATOM 590 C ASP A 44 -9.584 -2.389 1.356 1.00 0.00 C ATOM 591 O ASP A 44 -8.936 -3.302 0.845 1.00 0.00 O ATOM 592 CB ASP A 44 -10.982 -2.502 3.396 1.00 0.00 C ATOM 593 CG ASP A 44 -11.131 -2.448 4.918 1.00 0.00 C ATOM 594 OD1 ASP A 44 -10.715 -3.433 5.564 1.00 0.00 O ATOM 595 OD2 ASP A 44 -11.658 -1.422 5.400 1.00 0.00 O ATOM 0 H ASP A 44 -9.961 -0.237 3.535 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.858 -2.849 3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.685 -1.798 2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.267 -3.497 3.053 1.00 0.00 H new ATOM 600 N VAL A 45 -10.322 -1.522 0.678 1.00 0.00 N ATOM 601 CA VAL A 45 -10.420 -1.593 -0.770 1.00 0.00 C ATOM 602 C VAL A 45 -9.025 -1.441 -1.379 1.00 0.00 C ATOM 603 O VAL A 45 -8.705 -2.086 -2.376 1.00 0.00 O ATOM 604 CB VAL A 45 -11.413 -0.547 -1.279 1.00 0.00 C ATOM 605 CG1 VAL A 45 -11.119 -0.175 -2.734 1.00 0.00 C ATOM 606 CG2 VAL A 45 -12.854 -1.034 -1.119 1.00 0.00 C ATOM 0 H VAL A 45 -10.858 -0.766 1.105 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.805 -2.564 -1.080 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.294 0.351 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.839 0.570 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.111 0.234 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.197 -1.064 -3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.539 -0.271 -1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.993 -1.953 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.058 -1.226 -0.066 1.00 0.00 H new ATOM 616 N ALA A 46 -8.232 -0.583 -0.754 1.00 0.00 N ATOM 617 CA ALA A 46 -6.878 -0.337 -1.222 1.00 0.00 C ATOM 618 C ALA A 46 -6.084 -1.644 -1.183 1.00 0.00 C ATOM 619 O ALA A 46 -5.188 -1.855 -1.999 1.00 0.00 O ATOM 620 CB ALA A 46 -6.235 0.761 -0.373 1.00 0.00 C ATOM 0 H ALA A 46 -8.501 -0.049 0.073 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.887 0.013 -2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.220 0.945 -0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.820 1.677 -0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.206 0.445 0.670 1.00 0.00 H new ATOM 626 N ARG A 47 -6.442 -2.488 -0.227 1.00 0.00 N ATOM 627 CA ARG A 47 -5.774 -3.769 -0.071 1.00 0.00 C ATOM 628 C ARG A 47 -6.457 -4.832 -0.934 1.00 0.00 C ATOM 629 O ARG A 47 -5.828 -5.813 -1.329 1.00 0.00 O ATOM 630 CB ARG A 47 -5.788 -4.224 1.390 1.00 0.00 C ATOM 631 CG ARG A 47 -4.634 -3.592 2.171 1.00 0.00 C ATOM 632 CD ARG A 47 -4.939 -3.561 3.670 1.00 0.00 C ATOM 633 NE ARG A 47 -3.689 -3.729 4.445 1.00 0.00 N ATOM 634 CZ ARG A 47 -3.008 -4.880 4.532 1.00 0.00 C ATOM 635 NH1 ARG A 47 -3.452 -5.971 3.892 1.00 0.00 N ATOM 636 NH2 ARG A 47 -1.884 -4.940 5.258 1.00 0.00 N ATOM 0 H ARG A 47 -7.186 -2.310 0.448 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.740 -3.644 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.737 -3.950 1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.712 -5.310 1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.718 -4.156 1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.458 -2.578 1.811 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.415 -2.617 3.933 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.643 -4.354 3.923 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.323 -2.918 4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.308 -5.925 3.339 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.934 -6.847 3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.546 -4.110 5.745 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.366 -5.816 5.324 1.00 0.00 H new ATOM 650 N LYS A 48 -7.733 -4.601 -1.203 1.00 0.00 N ATOM 651 CA LYS A 48 -8.507 -5.526 -2.012 1.00 0.00 C ATOM 652 C LYS A 48 -8.110 -5.368 -3.481 1.00 0.00 C ATOM 653 O LYS A 48 -7.967 -6.356 -4.200 1.00 0.00 O ATOM 654 CB LYS A 48 -10.004 -5.339 -1.756 1.00 0.00 C ATOM 655 CG LYS A 48 -10.365 -5.712 -0.317 1.00 0.00 C ATOM 656 CD LYS A 48 -11.691 -6.475 -0.264 1.00 0.00 C ATOM 657 CE LYS A 48 -12.877 -5.526 -0.447 1.00 0.00 C ATOM 658 NZ LYS A 48 -14.109 -6.288 -0.749 1.00 0.00 N ATOM 0 H LYS A 48 -8.251 -3.786 -0.875 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.285 -6.555 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.283 -4.303 -1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.575 -5.956 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.572 -6.323 0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.436 -4.809 0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.707 -7.238 -1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.779 -6.993 0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.020 -4.935 0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.668 -4.825 -1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.904 -5.629 -0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.974 -6.833 -1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.316 -6.939 0.035 1.00 0.00 H new ATOM 672 N ALA A 49 -7.943 -4.116 -3.884 1.00 0.00 N ATOM 673 CA ALA A 49 -7.565 -3.816 -5.254 1.00 0.00 C ATOM 674 C ALA A 49 -6.142 -4.317 -5.508 1.00 0.00 C ATOM 675 O ALA A 49 -5.858 -4.883 -6.562 1.00 0.00 O ATOM 676 CB ALA A 49 -7.708 -2.313 -5.505 1.00 0.00 C ATOM 0 H ALA A 49 -8.063 -3.299 -3.286 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.224 -4.328 -5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.424 -2.087 -6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.743 -2.013 -5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.059 -1.767 -4.821 1.00 0.00 H new ATOM 682 N LEU A 50 -5.284 -4.089 -4.524 1.00 0.00 N ATOM 683 CA LEU A 50 -3.898 -4.510 -4.627 1.00 0.00 C ATOM 684 C LEU A 50 -3.814 -6.026 -4.440 1.00 0.00 C ATOM 685 O LEU A 50 -2.884 -6.665 -4.929 1.00 0.00 O ATOM 686 CB LEU A 50 -3.024 -3.721 -3.650 1.00 0.00 C ATOM 687 CG LEU A 50 -2.953 -2.210 -3.882 1.00 0.00 C ATOM 688 CD1 LEU A 50 -2.520 -1.480 -2.609 1.00 0.00 C ATOM 689 CD2 LEU A 50 -2.047 -1.880 -5.069 1.00 0.00 C ATOM 0 H LEU A 50 -5.523 -3.618 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.506 -4.289 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.394 -3.896 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.012 -4.123 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.953 -1.855 -4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.477 -0.408 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.239 -1.678 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.535 -1.833 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.014 -0.800 -5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.041 -2.251 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.439 -2.354 -5.969 1.00 0.00 H new ATOM 701 N LYS A 51 -4.799 -6.558 -3.731 1.00 0.00 N ATOM 702 CA LYS A 51 -4.849 -7.987 -3.474 1.00 0.00 C ATOM 703 C LYS A 51 -5.003 -8.735 -4.800 1.00 0.00 C ATOM 704 O LYS A 51 -4.262 -9.677 -5.076 1.00 0.00 O ATOM 705 CB LYS A 51 -5.943 -8.310 -2.455 1.00 0.00 C ATOM 706 CG LYS A 51 -6.455 -9.741 -2.634 1.00 0.00 C ATOM 707 CD LYS A 51 -6.916 -10.330 -1.300 1.00 0.00 C ATOM 708 CE LYS A 51 -5.720 -10.742 -0.440 1.00 0.00 C ATOM 709 NZ LYS A 51 -6.070 -10.684 0.997 1.00 0.00 N ATOM 0 H LYS A 51 -5.569 -6.025 -3.327 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.916 -8.326 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.553 -8.183 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.769 -7.608 -2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.282 -9.749 -3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.666 -10.363 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.519 -9.597 -0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.553 -11.195 -1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.406 -11.752 -0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.876 -10.083 -0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.247 -10.967 1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.348 -9.714 1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.862 -11.331 1.188 1.00 0.00 H new ATOM 723 N ALA A 52 -5.971 -8.287 -5.586 1.00 0.00 N ATOM 724 CA ALA A 52 -6.232 -8.901 -6.877 1.00 0.00 C ATOM 725 C ALA A 52 -5.219 -8.381 -7.899 1.00 0.00 C ATOM 726 O ALA A 52 -4.823 -9.107 -8.809 1.00 0.00 O ATOM 727 CB ALA A 52 -7.677 -8.620 -7.293 1.00 0.00 C ATOM 0 H ALA A 52 -6.584 -7.506 -5.354 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.114 -9.983 -6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.873 -9.080 -8.261 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.357 -9.035 -6.549 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.832 -7.544 -7.365 1.00 0.00 H new ATOM 733 N SER A 53 -4.829 -7.129 -7.713 1.00 0.00 N ATOM 734 CA SER A 53 -3.870 -6.503 -8.608 1.00 0.00 C ATOM 735 C SER A 53 -2.466 -6.579 -8.005 1.00 0.00 C ATOM 736 O SER A 53 -2.088 -5.733 -7.196 1.00 0.00 O ATOM 737 CB SER A 53 -4.249 -5.048 -8.891 1.00 0.00 C ATOM 738 OG SER A 53 -5.606 -4.920 -9.305 1.00 0.00 O ATOM 0 H SER A 53 -5.159 -6.531 -6.956 1.00 0.00 H new ATOM 0 HA SER A 53 -3.882 -7.043 -9.555 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.086 -4.450 -7.994 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.595 -4.647 -9.665 1.00 0.00 H new ATOM 0 HG SER A 53 -6.185 -4.863 -8.516 1.00 0.00 H new ATOM 744 N GLY A 54 -1.732 -7.599 -8.422 1.00 0.00 N ATOM 745 CA GLY A 54 -0.378 -7.796 -7.934 1.00 0.00 C ATOM 746 C GLY A 54 0.391 -6.474 -7.900 1.00 0.00 C ATOM 747 O GLY A 54 0.974 -6.065 -8.903 1.00 0.00 O ATOM 0 H GLY A 54 -2.049 -8.299 -9.093 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.408 -8.229 -6.934 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.143 -8.507 -8.575 1.00 0.00 H new ATOM 751 N GLY A 55 0.367 -5.842 -6.736 1.00 0.00 N ATOM 752 CA GLY A 55 1.054 -4.574 -6.559 1.00 0.00 C ATOM 753 C GLY A 55 0.937 -3.706 -7.813 1.00 0.00 C ATOM 754 O GLY A 55 1.870 -2.987 -8.164 1.00 0.00 O ATOM 0 H GLY A 55 -0.117 -6.184 -5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.632 -4.044 -5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.105 -4.754 -6.334 1.00 0.00 H new ATOM 758 N ASP A 56 -0.219 -3.803 -8.454 1.00 0.00 N ATOM 759 CA ASP A 56 -0.471 -3.036 -9.662 1.00 0.00 C ATOM 760 C ASP A 56 -1.513 -1.955 -9.367 1.00 0.00 C ATOM 761 O ASP A 56 -2.714 -2.218 -9.408 1.00 0.00 O ATOM 762 CB ASP A 56 -1.018 -3.928 -10.778 1.00 0.00 C ATOM 763 CG ASP A 56 0.042 -4.693 -11.573 1.00 0.00 C ATOM 764 OD1 ASP A 56 1.231 -4.555 -11.212 1.00 0.00 O ATOM 765 OD2 ASP A 56 -0.361 -5.399 -12.523 1.00 0.00 O ATOM 0 H ASP A 56 -0.991 -4.401 -8.159 1.00 0.00 H new ATOM 0 HA ASP A 56 0.472 -2.595 -9.983 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.712 -4.646 -10.341 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.592 -3.310 -11.468 1.00 0.00 H new ATOM 770 N ILE A 57 -1.016 -0.762 -9.076 1.00 0.00 N ATOM 771 CA ILE A 57 -1.889 0.359 -8.774 1.00 0.00 C ATOM 772 C ILE A 57 -2.839 0.592 -9.951 1.00 0.00 C ATOM 773 O ILE A 57 -4.048 0.719 -9.761 1.00 0.00 O ATOM 774 CB ILE A 57 -1.067 1.592 -8.395 1.00 0.00 C ATOM 775 CG1 ILE A 57 -0.502 1.461 -6.979 1.00 0.00 C ATOM 776 CG2 ILE A 57 -1.886 2.873 -8.569 1.00 0.00 C ATOM 777 CD1 ILE A 57 -1.530 1.904 -5.936 1.00 0.00 C ATOM 0 H ILE A 57 -0.019 -0.547 -9.043 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.507 0.136 -7.904 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.218 1.658 -9.076 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.213 0.427 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.400 2.066 -6.886 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.278 3.734 -8.293 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.197 2.967 -9.609 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.767 2.831 -7.929 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.104 1.801 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.799 2.946 -6.110 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.421 1.281 -6.016 1.00 0.00 H new ATOM 789 N GLU A 58 -2.257 0.639 -11.140 1.00 0.00 N ATOM 790 CA GLU A 58 -3.036 0.854 -12.347 1.00 0.00 C ATOM 791 C GLU A 58 -4.252 -0.074 -12.366 1.00 0.00 C ATOM 792 O GLU A 58 -5.329 0.316 -12.813 1.00 0.00 O ATOM 793 CB GLU A 58 -2.176 0.657 -13.597 1.00 0.00 C ATOM 794 CG GLU A 58 -1.710 2.001 -14.159 1.00 0.00 C ATOM 795 CD GLU A 58 -2.313 2.257 -15.541 1.00 0.00 C ATOM 796 OE1 GLU A 58 -1.835 1.610 -16.498 1.00 0.00 O ATOM 797 OE2 GLU A 58 -3.239 3.094 -15.610 1.00 0.00 O ATOM 0 H GLU A 58 -1.254 0.532 -11.293 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.390 1.885 -12.349 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.310 0.041 -13.354 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.747 0.120 -14.355 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.998 2.803 -13.479 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.622 2.014 -14.225 1.00 0.00 H new ATOM 804 N LYS A 59 -4.039 -1.286 -11.875 1.00 0.00 N ATOM 805 CA LYS A 59 -5.104 -2.274 -11.829 1.00 0.00 C ATOM 806 C LYS A 59 -5.910 -2.090 -10.542 1.00 0.00 C ATOM 807 O LYS A 59 -7.104 -2.380 -10.506 1.00 0.00 O ATOM 808 CB LYS A 59 -4.536 -3.683 -12.004 1.00 0.00 C ATOM 809 CG LYS A 59 -4.446 -4.059 -13.484 1.00 0.00 C ATOM 810 CD LYS A 59 -3.387 -5.140 -13.712 1.00 0.00 C ATOM 811 CE LYS A 59 -3.893 -6.207 -14.685 1.00 0.00 C ATOM 812 NZ LYS A 59 -3.753 -7.556 -14.094 1.00 0.00 N ATOM 0 H LYS A 59 -3.144 -1.607 -11.505 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.794 -2.129 -12.660 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.546 -3.739 -11.550 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.168 -4.401 -11.481 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.416 -4.416 -13.832 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.201 -3.175 -14.073 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.478 -4.686 -14.106 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.126 -5.604 -12.761 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.938 -6.018 -14.930 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.332 -6.152 -15.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.101 -8.268 -14.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.752 -7.740 -13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.308 -7.610 -13.216 1.00 0.00 H new ATOM 826 N ALA A 60 -5.223 -1.610 -9.515 1.00 0.00 N ATOM 827 CA ALA A 60 -5.859 -1.384 -8.229 1.00 0.00 C ATOM 828 C ALA A 60 -6.870 -0.242 -8.358 1.00 0.00 C ATOM 829 O ALA A 60 -7.957 -0.304 -7.787 1.00 0.00 O ATOM 830 CB ALA A 60 -4.790 -1.099 -7.173 1.00 0.00 C ATOM 0 H ALA A 60 -4.232 -1.372 -9.548 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.404 -2.272 -7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.268 -0.929 -6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.115 -1.952 -7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.224 -0.212 -7.458 1.00 0.00 H new ATOM 836 N THR A 61 -6.474 0.773 -9.112 1.00 0.00 N ATOM 837 CA THR A 61 -7.332 1.926 -9.323 1.00 0.00 C ATOM 838 C THR A 61 -8.552 1.538 -10.160 1.00 0.00 C ATOM 839 O THR A 61 -9.574 2.222 -10.129 1.00 0.00 O ATOM 840 CB THR A 61 -6.487 3.033 -9.958 1.00 0.00 C ATOM 841 OG1 THR A 61 -5.343 3.124 -9.113 1.00 0.00 O ATOM 842 CG2 THR A 61 -7.145 4.410 -9.844 1.00 0.00 C ATOM 0 H THR A 61 -5.571 0.821 -9.584 1.00 0.00 H new ATOM 0 HA THR A 61 -7.730 2.300 -8.380 1.00 0.00 H new ATOM 0 HB THR A 61 -6.313 2.800 -11.008 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.707 2.416 -9.346 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.505 5.159 -10.310 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.111 4.394 -10.348 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.288 4.659 -8.793 1.00 0.00 H new ATOM 850 N ASP A 62 -8.405 0.441 -10.888 1.00 0.00 N ATOM 851 CA ASP A 62 -9.483 -0.047 -11.732 1.00 0.00 C ATOM 852 C ASP A 62 -10.329 -1.048 -10.944 1.00 0.00 C ATOM 853 O ASP A 62 -11.555 -0.945 -10.917 1.00 0.00 O ATOM 854 CB ASP A 62 -8.934 -0.763 -12.968 1.00 0.00 C ATOM 855 CG ASP A 62 -9.941 -0.960 -14.102 1.00 0.00 C ATOM 856 OD1 ASP A 62 -10.743 -0.025 -14.318 1.00 0.00 O ATOM 857 OD2 ASP A 62 -9.888 -2.040 -14.728 1.00 0.00 O ATOM 0 H ASP A 62 -7.556 -0.124 -10.911 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.079 0.810 -12.046 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.085 -0.196 -13.351 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.555 -1.739 -12.665 1.00 0.00 H new ATOM 862 N TRP A 63 -9.642 -1.994 -10.321 1.00 0.00 N ATOM 863 CA TRP A 63 -10.315 -3.013 -9.534 1.00 0.00 C ATOM 864 C TRP A 63 -11.395 -2.326 -8.695 1.00 0.00 C ATOM 865 O TRP A 63 -12.552 -2.744 -8.702 1.00 0.00 O ATOM 866 CB TRP A 63 -9.314 -3.803 -8.688 1.00 0.00 C ATOM 867 CG TRP A 63 -9.916 -5.027 -7.994 1.00 0.00 C ATOM 868 CD1 TRP A 63 -9.943 -6.293 -8.431 1.00 0.00 C ATOM 869 CD2 TRP A 63 -10.579 -5.048 -6.712 1.00 0.00 C ATOM 870 NE1 TRP A 63 -10.574 -7.126 -7.529 1.00 0.00 N ATOM 871 CE2 TRP A 63 -10.972 -6.345 -6.450 1.00 0.00 C ATOM 872 CE3 TRP A 63 -10.838 -4.007 -5.804 1.00 0.00 C ATOM 873 CZ2 TRP A 63 -11.647 -6.720 -5.282 1.00 0.00 C ATOM 874 CZ3 TRP A 63 -11.513 -4.398 -4.642 1.00 0.00 C ATOM 875 CH2 TRP A 63 -11.916 -5.699 -4.363 1.00 0.00 C ATOM 0 H TRP A 63 -8.626 -2.076 -10.345 1.00 0.00 H new ATOM 0 HA TRP A 63 -10.792 -3.748 -10.182 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.491 -4.127 -9.325 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.890 -3.141 -7.933 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -9.524 -6.621 -9.371 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -10.721 -8.130 -7.635 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -10.540 -2.986 -5.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -11.944 -7.742 -5.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -11.737 -3.635 -3.911 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -12.434 -5.921 -3.442 1.00 0.00 H new ATOM 886 N VAL A 64 -10.978 -1.283 -7.992 1.00 0.00 N ATOM 887 CA VAL A 64 -11.895 -0.534 -7.150 1.00 0.00 C ATOM 888 C VAL A 64 -13.222 -0.348 -7.888 1.00 0.00 C ATOM 889 O VAL A 64 -14.290 -0.556 -7.314 1.00 0.00 O ATOM 890 CB VAL A 64 -11.255 0.790 -6.728 1.00 0.00 C ATOM 891 CG1 VAL A 64 -12.243 1.648 -5.935 1.00 0.00 C ATOM 892 CG2 VAL A 64 -9.973 0.549 -5.928 1.00 0.00 C ATOM 0 H VAL A 64 -10.018 -0.939 -7.988 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.107 -1.084 -6.233 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.988 1.336 -7.633 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.763 2.583 -5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.115 1.863 -6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.555 1.110 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.538 1.506 -5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.206 -0.027 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.261 -0.004 -6.540 1.00 0.00 H new ATOM 902 N PHE A 65 -13.112 0.042 -9.149 1.00 0.00 N ATOM 903 CA PHE A 65 -14.290 0.258 -9.971 1.00 0.00 C ATOM 904 C PHE A 65 -14.809 -1.062 -10.544 1.00 0.00 C ATOM 905 O PHE A 65 -16.007 -1.338 -10.491 1.00 0.00 O ATOM 906 CB PHE A 65 -13.869 1.171 -11.125 1.00 0.00 C ATOM 907 CG PHE A 65 -12.893 2.277 -10.720 1.00 0.00 C ATOM 908 CD1 PHE A 65 -12.849 2.705 -9.430 1.00 0.00 C ATOM 909 CD2 PHE A 65 -12.069 2.831 -11.649 1.00 0.00 C ATOM 910 CE1 PHE A 65 -11.943 3.732 -9.053 1.00 0.00 C ATOM 911 CE2 PHE A 65 -11.163 3.858 -11.272 1.00 0.00 C ATOM 912 CZ PHE A 65 -11.119 4.287 -9.982 1.00 0.00 C ATOM 0 H PHE A 65 -12.225 0.214 -9.622 1.00 0.00 H new ATOM 0 HA PHE A 65 -15.086 0.700 -9.371 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.411 0.564 -11.906 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.760 1.627 -11.557 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -13.503 2.264 -8.692 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.103 2.490 -12.673 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.908 4.072 -8.029 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.509 4.298 -12.010 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.430 5.068 -9.696 1.00 0.00 H new ATOM 922 N ASN A 66 -13.882 -1.843 -11.079 1.00 0.00 N ATOM 923 CA ASN A 66 -14.230 -3.128 -11.661 1.00 0.00 C ATOM 924 C ASN A 66 -14.797 -4.040 -10.571 1.00 0.00 C ATOM 925 O ASN A 66 -14.086 -4.891 -10.038 1.00 0.00 O ATOM 926 CB ASN A 66 -13.001 -3.814 -12.259 1.00 0.00 C ATOM 927 CG ASN A 66 -12.850 -3.472 -13.743 1.00 0.00 C ATOM 928 OD1 ASN A 66 -12.557 -2.196 -13.977 1.00 0.00 O flip ATOM 929 ND2 ASN A 66 -12.989 -4.311 -14.617 1.00 0.00 N flip ATOM 0 H ASN A 66 -12.890 -1.610 -11.122 1.00 0.00 H new ATOM 0 HA ASN A 66 -14.963 -2.953 -12.448 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.107 -3.503 -11.718 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.088 -4.894 -12.138 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.214 -5.274 -14.368 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.880 -4.050 -15.597 1.00 0.00 H new ATOM 936 N ASN A 67 -16.071 -3.831 -10.271 1.00 0.00 N ATOM 937 CA ASN A 67 -16.740 -4.624 -9.254 1.00 0.00 C ATOM 938 C ASN A 67 -18.249 -4.599 -9.506 1.00 0.00 C ATOM 939 O ASN A 67 -18.776 -3.628 -10.048 1.00 0.00 O ATOM 940 CB ASN A 67 -16.484 -4.057 -7.857 1.00 0.00 C ATOM 941 CG ASN A 67 -15.012 -4.203 -7.466 1.00 0.00 C ATOM 942 OD1 ASN A 67 -14.556 -5.451 -7.535 1.00 0.00 O flip ATOM 943 ND2 ASN A 67 -14.336 -3.247 -7.126 1.00 0.00 N flip ATOM 0 H ASN A 67 -16.657 -3.124 -10.715 1.00 0.00 H new ATOM 0 HA ASN A 67 -16.350 -5.640 -9.307 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -16.768 -3.005 -7.830 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -17.110 -4.575 -7.130 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.750 -2.315 -7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.357 -3.379 -6.873 1.00 0.00 H new ATOM 950 N SER A 68 -18.902 -5.678 -9.100 1.00 0.00 N ATOM 951 CA SER A 68 -20.340 -5.792 -9.275 1.00 0.00 C ATOM 952 C SER A 68 -20.962 -6.483 -8.060 1.00 0.00 C ATOM 953 O SER A 68 -20.676 -7.649 -7.791 1.00 0.00 O ATOM 954 CB SER A 68 -20.681 -6.559 -10.554 1.00 0.00 C ATOM 955 OG SER A 68 -20.594 -5.733 -11.712 1.00 0.00 O ATOM 0 H SER A 68 -18.462 -6.481 -8.651 1.00 0.00 H new ATOM 0 HA SER A 68 -20.754 -4.788 -9.365 1.00 0.00 H new ATOM 0 HB2 SER A 68 -20.002 -7.405 -10.661 1.00 0.00 H new ATOM 0 HB3 SER A 68 -21.689 -6.966 -10.474 1.00 0.00 H new ATOM 0 HG SER A 68 -20.070 -4.931 -11.503 1.00 0.00 H new ATOM 961 N GLY A 69 -21.801 -5.735 -7.358 1.00 0.00 N ATOM 962 CA GLY A 69 -22.465 -6.262 -6.178 1.00 0.00 C ATOM 963 C GLY A 69 -23.007 -5.130 -5.303 1.00 0.00 C ATOM 964 O GLY A 69 -22.531 -3.998 -5.380 1.00 0.00 O ATOM 0 H GLY A 69 -22.036 -4.768 -7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -23.282 -6.918 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -21.765 -6.868 -5.603 1.00 0.00 H new ATOM 968 N PRO A 70 -24.021 -5.484 -4.469 1.00 0.00 N ATOM 969 CA PRO A 70 -24.633 -4.511 -3.580 1.00 0.00 C ATOM 970 C PRO A 70 -23.719 -4.201 -2.393 1.00 0.00 C ATOM 971 O PRO A 70 -23.782 -4.873 -1.365 1.00 0.00 O ATOM 972 CB PRO A 70 -25.956 -5.134 -3.165 1.00 0.00 C ATOM 973 CG PRO A 70 -25.827 -6.620 -3.460 1.00 0.00 C ATOM 974 CD PRO A 70 -24.610 -6.814 -4.350 1.00 0.00 C ATOM 0 HA PRO A 70 -24.796 -3.546 -4.061 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -26.154 -4.961 -2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -26.785 -4.696 -3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -25.717 -7.185 -2.534 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -26.725 -6.990 -3.955 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -23.906 -7.521 -3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -24.892 -7.211 -5.325 1.00 0.00 H new ATOM 982 N SER A 71 -22.890 -3.184 -2.575 1.00 0.00 N ATOM 983 CA SER A 71 -21.964 -2.777 -1.532 1.00 0.00 C ATOM 984 C SER A 71 -21.590 -1.304 -1.710 1.00 0.00 C ATOM 985 O SER A 71 -21.039 -0.920 -2.740 1.00 0.00 O ATOM 986 CB SER A 71 -20.707 -3.648 -1.541 1.00 0.00 C ATOM 987 OG SER A 71 -20.351 -4.086 -0.233 1.00 0.00 O ATOM 0 H SER A 71 -22.840 -2.629 -3.430 1.00 0.00 H new ATOM 0 HA SER A 71 -22.456 -2.907 -0.568 1.00 0.00 H new ATOM 0 HB2 SER A 71 -20.871 -4.515 -2.181 1.00 0.00 H new ATOM 0 HB3 SER A 71 -19.879 -3.085 -1.973 1.00 0.00 H new ATOM 0 HG SER A 71 -19.545 -4.641 -0.282 1.00 0.00 H new ATOM 993 N SER A 72 -21.905 -0.519 -0.690 1.00 0.00 N ATOM 994 CA SER A 72 -21.609 0.903 -0.720 1.00 0.00 C ATOM 995 C SER A 72 -22.187 1.531 -1.990 1.00 0.00 C ATOM 996 O SER A 72 -21.488 1.665 -2.993 1.00 0.00 O ATOM 997 CB SER A 72 -20.102 1.153 -0.642 1.00 0.00 C ATOM 998 OG SER A 72 -19.788 2.542 -0.702 1.00 0.00 O ATOM 0 H SER A 72 -22.363 -0.841 0.163 1.00 0.00 H new ATOM 0 HA SER A 72 -22.072 1.368 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 72 -19.712 0.733 0.285 1.00 0.00 H new ATOM 0 HB3 SER A 72 -19.605 0.633 -1.461 1.00 0.00 H new ATOM 0 HG SER A 72 -18.817 2.660 -0.648 1.00 0.00 H new ATOM 1004 N GLY A 73 -23.457 1.898 -1.905 1.00 0.00 N ATOM 1005 CA GLY A 73 -24.137 2.508 -3.035 1.00 0.00 C ATOM 1006 C GLY A 73 -25.095 3.607 -2.571 1.00 0.00 C ATOM 1007 O GLY A 73 -25.823 4.183 -3.378 1.00 0.00 O ATOM 0 H GLY A 73 -24.033 1.785 -1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -23.403 2.927 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -24.690 1.747 -3.585 1.00 0.00 H new TER 1011 GLY A 73