USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 532 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 53 SER OG : rot 180:sc= 0.493 USER MOD Set 1.2: A 56 THR OG1 : rot 81:sc= 0.471 USER MOD Set 2.1: A 37 SER OG : rot -172:sc= 1.21 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.732 K(o=1.9,f=-0.057) USER MOD Set 3.1: A 15 ASN : amide:sc= 0.78 K(o=1.5,f=-0.53) USER MOD Set 3.2: A 19 GLN : amide:sc= 0.688 K(o=1.5,f=-0.65) USER MOD Set 4.1: A 14 CYS SG : rot 180:sc= 0.0379 USER MOD Set 4.2: A 16 SER OG : rot 95:sc= 0.0241 USER MOD Set 5.1: A 8 ASN : amide:sc= 0.222 X(o=0.22,f=-0.023) USER MOD Set 5.2: A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ -117:sc= -0.225 (180deg=-1.13!) USER MOD Single : A 2 THR OG1 : rot 36:sc= 0.406 USER MOD Single : A 3 GLN : amide:sc= 0.649 K(o=0.65,f=-0.068) USER MOD Single : A 5 THR OG1 : rot 23:sc= 0.157 USER MOD Single : A 12 MET CE :methyl 179:sc= -0.167 (180deg=-0.171) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -80:sc= 0.0394 USER MOD Single : A 20 SER OG : rot -80:sc= 0.64 USER MOD Single : A 26 SER OG : rot -39:sc= 0.477 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= 0.762 (180deg=0.0943) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00701 USER MOD Single : A 41 SER OG : rot 11:sc= 0.751 USER MOD Single : A 42 ASN : amide:sc= -0.387 K(o=-0.39,f=-2.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00216 USER MOD Single : A 64 MET CE :methyl 165:sc=-0.00975 (180deg=-0.412) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.04 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.666 -24.130 1.936 1.00 0.00 N ATOM 2 CA LEU A 1 5.269 -23.904 1.520 1.00 0.00 C ATOM 3 C LEU A 1 4.998 -22.406 1.353 1.00 0.00 C ATOM 4 O LEU A 1 5.668 -21.581 1.972 1.00 0.00 O ATOM 5 CB LEU A 1 4.274 -24.521 2.518 1.00 0.00 C ATOM 6 CG LEU A 1 3.995 -26.021 2.317 1.00 0.00 C ATOM 7 CD1 LEU A 1 5.244 -26.898 2.461 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.949 -26.465 3.346 1.00 0.00 C ATOM 0 H1 LEU A 1 7.164 -24.672 1.201 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.140 -23.214 2.072 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.680 -24.663 2.829 1.00 0.00 H new ATOM 0 HA LEU A 1 5.125 -24.399 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.655 -24.370 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.331 -23.979 2.449 1.00 0.00 H new ATOM 0 HG LEU A 1 3.637 -26.150 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.975 -27.943 2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.985 -26.601 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.662 -26.774 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.740 -27.527 3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.331 -26.290 4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.032 -25.894 3.202 1.00 0.00 H new ATOM 22 N THR A 2 4.018 -22.064 0.509 1.00 0.00 N ATOM 23 CA THR A 2 3.647 -20.695 0.175 1.00 0.00 C ATOM 24 C THR A 2 2.126 -20.563 0.221 1.00 0.00 C ATOM 25 O THR A 2 1.436 -21.192 -0.580 1.00 0.00 O ATOM 26 CB THR A 2 4.166 -20.342 -1.230 1.00 0.00 C ATOM 27 OG1 THR A 2 3.780 -21.333 -2.162 1.00 0.00 O ATOM 28 CG2 THR A 2 5.688 -20.194 -1.258 1.00 0.00 C ATOM 0 H THR A 2 3.447 -22.758 0.027 1.00 0.00 H new ATOM 0 HA THR A 2 4.092 -20.008 0.895 1.00 0.00 H new ATOM 0 HB THR A 2 3.723 -19.384 -1.501 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.888 -21.667 -1.933 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.011 -19.945 -2.269 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.989 -19.400 -0.575 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.150 -21.132 -0.950 1.00 0.00 H new ATOM 36 N GLN A 3 1.614 -19.741 1.144 1.00 0.00 N ATOM 37 CA GLN A 3 0.209 -19.358 1.223 1.00 0.00 C ATOM 38 C GLN A 3 0.127 -17.851 1.456 1.00 0.00 C ATOM 39 O GLN A 3 1.075 -17.253 1.962 1.00 0.00 O ATOM 40 CB GLN A 3 -0.487 -20.110 2.366 1.00 0.00 C ATOM 41 CG GLN A 3 -0.704 -21.602 2.081 1.00 0.00 C ATOM 42 CD GLN A 3 -1.754 -21.840 0.998 1.00 0.00 C ATOM 43 OE1 GLN A 3 -2.946 -21.890 1.291 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.323 -21.993 -0.255 1.00 0.00 N ATOM 0 H GLN A 3 2.185 -19.315 1.874 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.295 -19.617 0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 3 0.108 -20.005 3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.452 -19.643 2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.240 -22.052 1.773 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.012 -22.104 2.998 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.325 -21.945 -0.460 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.991 -22.158 -1.008 1.00 0.00 H new ATOM 53 N GLU A 4 -1.012 -17.248 1.088 1.00 0.00 N ATOM 54 CA GLU A 4 -1.299 -15.839 1.317 1.00 0.00 C ATOM 55 C GLU A 4 -2.584 -15.691 2.127 1.00 0.00 C ATOM 56 O GLU A 4 -3.433 -16.581 2.123 1.00 0.00 O ATOM 57 CB GLU A 4 -1.401 -15.072 -0.008 1.00 0.00 C ATOM 58 CG GLU A 4 -0.078 -15.094 -0.779 1.00 0.00 C ATOM 59 CD GLU A 4 -0.062 -14.052 -1.892 1.00 0.00 C ATOM 60 OE1 GLU A 4 -0.728 -14.306 -2.919 1.00 0.00 O ATOM 61 OE2 GLU A 4 0.614 -13.017 -1.695 1.00 0.00 O ATOM 0 H GLU A 4 -1.769 -17.742 0.615 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.474 -15.409 1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.187 -15.510 -0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.689 -14.040 0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.748 -14.907 -0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.080 -16.085 -1.205 1.00 0.00 H new ATOM 68 N THR A 5 -2.711 -14.558 2.827 1.00 0.00 N ATOM 69 CA THR A 5 -3.870 -14.228 3.642 1.00 0.00 C ATOM 70 C THR A 5 -4.050 -12.713 3.673 1.00 0.00 C ATOM 71 O THR A 5 -3.067 -11.973 3.688 1.00 0.00 O ATOM 72 CB THR A 5 -3.712 -14.816 5.056 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.897 -14.638 5.806 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.535 -14.211 5.832 1.00 0.00 C ATOM 0 H THR A 5 -1.992 -13.834 2.838 1.00 0.00 H new ATOM 0 HA THR A 5 -4.767 -14.669 3.207 1.00 0.00 H new ATOM 0 HB THR A 5 -3.508 -15.878 4.917 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.656 -14.525 5.196 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.478 -14.667 6.820 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.608 -14.399 5.291 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.682 -13.136 5.937 1.00 0.00 H new ATOM 82 N VAL A 6 -5.309 -12.267 3.698 1.00 0.00 N ATOM 83 CA VAL A 6 -5.696 -10.879 3.886 1.00 0.00 C ATOM 84 C VAL A 6 -6.272 -10.764 5.296 1.00 0.00 C ATOM 85 O VAL A 6 -7.159 -11.534 5.667 1.00 0.00 O ATOM 86 CB VAL A 6 -6.713 -10.449 2.816 1.00 0.00 C ATOM 87 CG1 VAL A 6 -7.021 -8.949 2.946 1.00 0.00 C ATOM 88 CG2 VAL A 6 -6.183 -10.714 1.400 1.00 0.00 C ATOM 0 H VAL A 6 -6.109 -12.889 3.583 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.840 -10.213 3.778 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.617 -11.036 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.742 -8.658 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.436 -8.747 3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.103 -8.376 2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.927 -10.399 0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.261 -10.153 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.984 -11.779 1.279 1.00 0.00 H new ATOM 98 N ILE A 7 -5.755 -9.812 6.078 1.00 0.00 N ATOM 99 CA ILE A 7 -6.171 -9.550 7.447 1.00 0.00 C ATOM 100 C ILE A 7 -6.545 -8.071 7.523 1.00 0.00 C ATOM 101 O ILE A 7 -5.725 -7.224 7.183 1.00 0.00 O ATOM 102 CB ILE A 7 -5.028 -9.913 8.420 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.608 -11.383 8.229 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.458 -9.654 9.872 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.472 -11.822 9.159 1.00 0.00 C ATOM 0 H ILE A 7 -5.014 -9.187 5.761 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.029 -10.158 7.734 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.168 -9.280 8.200 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.473 -12.024 8.398 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.298 -11.532 7.195 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.641 -9.915 10.545 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.707 -8.600 9.995 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.331 -10.263 10.107 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.229 -12.867 8.969 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.592 -11.206 8.975 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.786 -11.706 10.196 1.00 0.00 H new ATOM 117 N ASN A 8 -7.768 -7.756 7.962 1.00 0.00 N ATOM 118 CA ASN A 8 -8.195 -6.386 8.221 1.00 0.00 C ATOM 119 C ASN A 8 -7.388 -5.841 9.396 1.00 0.00 C ATOM 120 O ASN A 8 -7.269 -6.524 10.411 1.00 0.00 O ATOM 121 CB ASN A 8 -9.686 -6.327 8.580 1.00 0.00 C ATOM 122 CG ASN A 8 -10.579 -7.017 7.554 1.00 0.00 C ATOM 123 OD1 ASN A 8 -10.873 -6.453 6.503 1.00 0.00 O ATOM 124 ND2 ASN A 8 -11.017 -8.239 7.861 1.00 0.00 N ATOM 0 H ASN A 8 -8.490 -8.452 8.147 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.032 -5.793 7.321 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.837 -6.792 9.554 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.990 -5.284 8.673 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.621 -8.742 7.211 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.748 -8.670 8.745 1.00 0.00 H new ATOM 131 N ILE A 9 -6.844 -4.630 9.259 1.00 0.00 N ATOM 132 CA ILE A 9 -6.059 -3.954 10.281 1.00 0.00 C ATOM 133 C ILE A 9 -6.684 -2.573 10.459 1.00 0.00 C ATOM 134 O ILE A 9 -6.372 -1.651 9.709 1.00 0.00 O ATOM 135 CB ILE A 9 -4.577 -3.865 9.871 1.00 0.00 C ATOM 136 CG1 ILE A 9 -3.998 -5.258 9.567 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.773 -3.197 10.996 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.520 -5.215 9.169 1.00 0.00 C ATOM 0 H ILE A 9 -6.944 -4.080 8.406 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.074 -4.504 11.222 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.506 -3.266 8.963 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.114 -5.894 10.445 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.573 -5.717 8.762 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.724 -3.134 10.706 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.161 -2.194 11.174 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.862 -3.788 11.907 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.168 -6.227 8.967 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.402 -4.604 8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.937 -4.784 9.982 1.00 0.00 H new ATOM 150 N ASP A 10 -7.573 -2.439 11.446 1.00 0.00 N ATOM 151 CA ASP A 10 -8.293 -1.203 11.712 1.00 0.00 C ATOM 152 C ASP A 10 -7.632 -0.453 12.871 1.00 0.00 C ATOM 153 O ASP A 10 -6.930 -1.045 13.691 1.00 0.00 O ATOM 154 CB ASP A 10 -9.769 -1.515 11.980 1.00 0.00 C ATOM 155 CG ASP A 10 -10.406 -2.238 10.795 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.772 -1.534 9.830 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.507 -3.482 10.872 1.00 0.00 O ATOM 0 H ASP A 10 -7.812 -3.196 12.086 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.251 -0.549 10.841 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.856 -2.131 12.875 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.309 -0.589 12.177 1.00 0.00 H new ATOM 162 N GLY A 11 -7.853 0.864 12.915 1.00 0.00 N ATOM 163 CA GLY A 11 -7.238 1.759 13.885 1.00 0.00 C ATOM 164 C GLY A 11 -5.809 2.138 13.491 1.00 0.00 C ATOM 165 O GLY A 11 -4.970 2.353 14.365 1.00 0.00 O ATOM 0 H GLY A 11 -8.476 1.341 12.264 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.840 2.663 13.977 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.229 1.281 14.864 1.00 0.00 H new ATOM 169 N MET A 12 -5.532 2.229 12.183 1.00 0.00 N ATOM 170 CA MET A 12 -4.253 2.676 11.652 1.00 0.00 C ATOM 171 C MET A 12 -4.286 4.198 11.519 1.00 0.00 C ATOM 172 O MET A 12 -5.027 4.731 10.696 1.00 0.00 O ATOM 173 CB MET A 12 -3.991 2.029 10.288 1.00 0.00 C ATOM 174 CG MET A 12 -3.756 0.520 10.394 1.00 0.00 C ATOM 175 SD MET A 12 -3.602 -0.332 8.798 1.00 0.00 S ATOM 176 CE MET A 12 -2.074 0.398 8.162 1.00 0.00 C ATOM 0 H MET A 12 -6.208 1.988 11.458 1.00 0.00 H new ATOM 0 HA MET A 12 -3.449 2.382 12.327 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.840 2.217 9.631 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.122 2.498 9.827 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.849 0.346 10.973 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.580 0.075 10.951 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.838 -0.040 7.192 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.203 1.475 8.052 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.259 0.200 8.858 1.00 0.00 H new ATOM 186 N THR A 13 -3.487 4.892 12.334 1.00 0.00 N ATOM 187 CA THR A 13 -3.426 6.345 12.376 1.00 0.00 C ATOM 188 C THR A 13 -2.902 6.922 11.057 1.00 0.00 C ATOM 189 O THR A 13 -3.567 7.761 10.453 1.00 0.00 O ATOM 190 CB THR A 13 -2.558 6.783 13.567 1.00 0.00 C ATOM 191 OG1 THR A 13 -3.015 6.146 14.741 1.00 0.00 O ATOM 192 CG2 THR A 13 -2.609 8.300 13.772 1.00 0.00 C ATOM 0 H THR A 13 -2.853 4.444 12.995 1.00 0.00 H new ATOM 0 HA THR A 13 -4.434 6.738 12.510 1.00 0.00 H new ATOM 0 HB THR A 13 -1.528 6.499 13.354 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.461 6.423 15.500 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.984 8.573 14.622 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.242 8.801 12.876 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.637 8.607 13.964 1.00 0.00 H new ATOM 200 N CYS A 14 -1.707 6.497 10.622 1.00 0.00 N ATOM 201 CA CYS A 14 -0.999 7.117 9.507 1.00 0.00 C ATOM 202 C CYS A 14 0.102 6.197 8.967 1.00 0.00 C ATOM 203 O CYS A 14 0.202 5.040 9.367 1.00 0.00 O ATOM 204 CB CYS A 14 -0.431 8.474 9.959 1.00 0.00 C ATOM 205 SG CYS A 14 0.832 8.224 11.236 1.00 0.00 S ATOM 0 H CYS A 14 -1.208 5.711 11.039 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.698 7.283 8.687 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.001 8.999 9.107 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.233 9.102 10.347 1.00 0.00 H new ATOM 0 HG CYS A 14 1.306 9.376 11.609 1.00 0.00 H new ATOM 211 N ASN A 15 0.930 6.729 8.059 1.00 0.00 N ATOM 212 CA ASN A 15 2.059 6.052 7.428 1.00 0.00 C ATOM 213 C ASN A 15 3.002 5.387 8.435 1.00 0.00 C ATOM 214 O ASN A 15 3.544 4.323 8.150 1.00 0.00 O ATOM 215 CB ASN A 15 2.823 7.048 6.544 1.00 0.00 C ATOM 216 CG ASN A 15 3.340 8.248 7.340 1.00 0.00 C ATOM 217 OD1 ASN A 15 2.600 9.204 7.567 1.00 0.00 O ATOM 218 ND2 ASN A 15 4.601 8.204 7.772 1.00 0.00 N ATOM 0 H ASN A 15 0.822 7.689 7.732 1.00 0.00 H new ATOM 0 HA ASN A 15 1.655 5.245 6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.662 6.540 6.069 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.169 7.398 5.745 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.983 8.981 8.311 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.184 7.393 7.563 1.00 0.00 H new ATOM 225 N SER A 16 3.199 5.997 9.610 1.00 0.00 N ATOM 226 CA SER A 16 4.017 5.431 10.675 1.00 0.00 C ATOM 227 C SER A 16 3.541 4.025 11.055 1.00 0.00 C ATOM 228 O SER A 16 4.362 3.147 11.316 1.00 0.00 O ATOM 229 CB SER A 16 3.990 6.363 11.890 1.00 0.00 C ATOM 230 OG SER A 16 4.356 7.671 11.502 1.00 0.00 O ATOM 0 H SER A 16 2.791 6.902 9.844 1.00 0.00 H new ATOM 0 HA SER A 16 5.042 5.340 10.317 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.993 6.371 12.331 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.674 5.997 12.655 1.00 0.00 H new ATOM 0 HG SER A 16 3.549 8.196 11.318 1.00 0.00 H new ATOM 236 N CYS A 17 2.218 3.809 11.071 1.00 0.00 N ATOM 237 CA CYS A 17 1.627 2.512 11.362 1.00 0.00 C ATOM 238 C CYS A 17 1.982 1.515 10.262 1.00 0.00 C ATOM 239 O CYS A 17 2.432 0.415 10.567 1.00 0.00 O ATOM 240 CB CYS A 17 0.111 2.621 11.551 1.00 0.00 C ATOM 241 SG CYS A 17 -0.235 3.791 12.887 1.00 0.00 S ATOM 0 H CYS A 17 1.531 4.539 10.880 1.00 0.00 H new ATOM 0 HA CYS A 17 2.041 2.147 12.302 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.360 2.955 10.627 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.310 1.644 11.788 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.076 3.200 14.034 1.00 0.00 H new ATOM 247 N VAL A 18 1.803 1.903 8.991 1.00 0.00 N ATOM 248 CA VAL A 18 2.152 1.074 7.840 1.00 0.00 C ATOM 249 C VAL A 18 3.596 0.588 7.968 1.00 0.00 C ATOM 250 O VAL A 18 3.856 -0.612 7.910 1.00 0.00 O ATOM 251 CB VAL A 18 1.948 1.849 6.523 1.00 0.00 C ATOM 252 CG1 VAL A 18 2.329 0.990 5.310 1.00 0.00 C ATOM 253 CG2 VAL A 18 0.497 2.304 6.353 1.00 0.00 C ATOM 0 H VAL A 18 1.409 2.809 8.737 1.00 0.00 H new ATOM 0 HA VAL A 18 1.492 0.207 7.820 1.00 0.00 H new ATOM 0 HB VAL A 18 2.597 2.723 6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.175 1.563 4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.377 0.700 5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.706 0.096 5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.394 2.847 5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.159 1.433 6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.221 2.957 7.181 1.00 0.00 H new ATOM 263 N GLN A 19 4.523 1.534 8.146 1.00 0.00 N ATOM 264 CA GLN A 19 5.953 1.285 8.230 1.00 0.00 C ATOM 265 C GLN A 19 6.288 0.340 9.384 1.00 0.00 C ATOM 266 O GLN A 19 6.965 -0.664 9.170 1.00 0.00 O ATOM 267 CB GLN A 19 6.692 2.620 8.383 1.00 0.00 C ATOM 268 CG GLN A 19 6.596 3.469 7.109 1.00 0.00 C ATOM 269 CD GLN A 19 7.069 4.898 7.363 1.00 0.00 C ATOM 270 OE1 GLN A 19 6.267 5.827 7.376 1.00 0.00 O ATOM 271 NE2 GLN A 19 8.375 5.078 7.567 1.00 0.00 N ATOM 0 H GLN A 19 4.285 2.522 8.238 1.00 0.00 H new ATOM 0 HA GLN A 19 6.279 0.797 7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.273 3.174 9.223 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.740 2.432 8.617 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.199 3.018 6.321 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.566 3.482 6.754 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.009 4.279 7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.740 6.014 7.742 1.00 0.00 H new ATOM 280 N SER A 20 5.824 0.657 10.600 1.00 0.00 N ATOM 281 CA SER A 20 6.120 -0.131 11.789 1.00 0.00 C ATOM 282 C SER A 20 5.591 -1.560 11.657 1.00 0.00 C ATOM 283 O SER A 20 6.354 -2.508 11.829 1.00 0.00 O ATOM 284 CB SER A 20 5.579 0.567 13.043 1.00 0.00 C ATOM 285 OG SER A 20 4.189 0.789 12.946 1.00 0.00 O ATOM 0 H SER A 20 5.233 1.469 10.780 1.00 0.00 H new ATOM 0 HA SER A 20 7.203 -0.205 11.891 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.792 -0.042 13.921 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.093 1.518 13.183 1.00 0.00 H new ATOM 0 HG SER A 20 4.022 1.579 12.391 1.00 0.00 H new ATOM 291 N ILE A 21 4.297 -1.714 11.346 1.00 0.00 N ATOM 292 CA ILE A 21 3.649 -3.011 11.188 1.00 0.00 C ATOM 293 C ILE A 21 4.397 -3.835 10.142 1.00 0.00 C ATOM 294 O ILE A 21 4.809 -4.955 10.431 1.00 0.00 O ATOM 295 CB ILE A 21 2.160 -2.840 10.826 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.395 -2.148 11.970 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.511 -4.205 10.539 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.024 -1.645 11.505 1.00 0.00 C ATOM 0 H ILE A 21 3.667 -0.926 11.196 1.00 0.00 H new ATOM 0 HA ILE A 21 3.686 -3.549 12.135 1.00 0.00 H new ATOM 0 HB ILE A 21 2.107 -2.219 9.932 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.266 -2.846 12.797 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.982 -1.311 12.348 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.461 -4.062 10.286 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.024 -4.683 9.705 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.588 -4.838 11.423 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.488 -1.162 12.337 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.155 -0.928 10.695 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.572 -2.487 11.152 1.00 0.00 H new ATOM 310 N GLU A 22 4.576 -3.287 8.934 1.00 0.00 N ATOM 311 CA GLU A 22 5.205 -4.004 7.835 1.00 0.00 C ATOM 312 C GLU A 22 6.628 -4.430 8.211 1.00 0.00 C ATOM 313 O GLU A 22 6.997 -5.584 8.006 1.00 0.00 O ATOM 314 CB GLU A 22 5.160 -3.137 6.570 1.00 0.00 C ATOM 315 CG GLU A 22 5.491 -3.952 5.317 1.00 0.00 C ATOM 316 CD GLU A 22 5.192 -3.154 4.051 1.00 0.00 C ATOM 317 OE1 GLU A 22 4.024 -3.208 3.608 1.00 0.00 O ATOM 318 OE2 GLU A 22 6.135 -2.502 3.552 1.00 0.00 O ATOM 0 H GLU A 22 4.288 -2.337 8.698 1.00 0.00 H new ATOM 0 HA GLU A 22 4.655 -4.922 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.169 -2.695 6.466 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.868 -2.314 6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.543 -4.237 5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.911 -4.875 5.315 1.00 0.00 H new ATOM 325 N GLY A 23 7.410 -3.504 8.777 1.00 0.00 N ATOM 326 CA GLY A 23 8.777 -3.741 9.214 1.00 0.00 C ATOM 327 C GLY A 23 8.874 -4.895 10.212 1.00 0.00 C ATOM 328 O GLY A 23 9.671 -5.808 10.016 1.00 0.00 O ATOM 0 H GLY A 23 7.096 -2.548 8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.401 -3.960 8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.173 -2.834 9.671 1.00 0.00 H new ATOM 332 N VAL A 24 8.069 -4.861 11.280 1.00 0.00 N ATOM 333 CA VAL A 24 8.088 -5.884 12.318 1.00 0.00 C ATOM 334 C VAL A 24 7.622 -7.229 11.754 1.00 0.00 C ATOM 335 O VAL A 24 8.337 -8.223 11.870 1.00 0.00 O ATOM 336 CB VAL A 24 7.239 -5.426 13.519 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.041 -6.555 14.540 1.00 0.00 C ATOM 338 CG2 VAL A 24 7.925 -4.249 14.229 1.00 0.00 C ATOM 0 H VAL A 24 7.387 -4.120 11.444 1.00 0.00 H new ATOM 0 HA VAL A 24 9.109 -6.026 12.672 1.00 0.00 H new ATOM 0 HB VAL A 24 6.266 -5.127 13.130 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.437 -6.192 15.372 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.534 -7.393 14.062 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.011 -6.883 14.912 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.318 -3.932 15.077 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.908 -4.560 14.583 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.037 -3.419 13.532 1.00 0.00 H new ATOM 348 N ILE A 25 6.427 -7.263 11.153 1.00 0.00 N ATOM 349 CA ILE A 25 5.800 -8.497 10.699 1.00 0.00 C ATOM 350 C ILE A 25 6.629 -9.181 9.603 1.00 0.00 C ATOM 351 O ILE A 25 6.725 -10.406 9.604 1.00 0.00 O ATOM 352 CB ILE A 25 4.335 -8.248 10.296 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.479 -7.693 11.457 1.00 0.00 C ATOM 354 CG2 ILE A 25 3.691 -9.530 9.745 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.251 -8.658 12.626 1.00 0.00 C ATOM 0 H ILE A 25 5.870 -6.428 10.970 1.00 0.00 H new ATOM 0 HA ILE A 25 5.776 -9.202 11.530 1.00 0.00 H new ATOM 0 HB ILE A 25 4.361 -7.488 9.515 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.958 -6.792 11.840 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.509 -7.394 11.060 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.657 -9.327 9.468 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.243 -9.866 8.867 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.716 -10.307 10.509 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.639 -8.171 13.386 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.740 -9.551 12.266 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.211 -8.939 13.058 1.00 0.00 H new ATOM 367 N SER A 26 7.248 -8.417 8.689 1.00 0.00 N ATOM 368 CA SER A 26 8.114 -8.972 7.649 1.00 0.00 C ATOM 369 C SER A 26 9.242 -9.843 8.220 1.00 0.00 C ATOM 370 O SER A 26 9.673 -10.787 7.562 1.00 0.00 O ATOM 371 CB SER A 26 8.695 -7.863 6.762 1.00 0.00 C ATOM 372 OG SER A 26 9.520 -6.990 7.500 1.00 0.00 O ATOM 0 H SER A 26 7.160 -7.401 8.654 1.00 0.00 H new ATOM 0 HA SER A 26 7.484 -9.619 7.039 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.270 -8.309 5.950 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.883 -7.298 6.305 1.00 0.00 H new ATOM 0 HG SER A 26 9.125 -6.835 8.383 1.00 0.00 H new ATOM 378 N LYS A 27 9.711 -9.532 9.436 1.00 0.00 N ATOM 379 CA LYS A 27 10.832 -10.211 10.073 1.00 0.00 C ATOM 380 C LYS A 27 10.383 -11.422 10.902 1.00 0.00 C ATOM 381 O LYS A 27 11.235 -12.142 11.418 1.00 0.00 O ATOM 382 CB LYS A 27 11.595 -9.207 10.950 1.00 0.00 C ATOM 383 CG LYS A 27 12.211 -8.081 10.110 1.00 0.00 C ATOM 384 CD LYS A 27 12.830 -7.015 11.020 1.00 0.00 C ATOM 385 CE LYS A 27 13.404 -5.870 10.183 1.00 0.00 C ATOM 386 NZ LYS A 27 13.985 -4.822 11.039 1.00 0.00 N ATOM 0 H LYS A 27 9.311 -8.789 10.008 1.00 0.00 H new ATOM 0 HA LYS A 27 11.488 -10.594 9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.918 -8.781 11.691 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.382 -9.725 11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.973 -8.489 9.446 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.446 -7.630 9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.075 -6.630 11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.617 -7.460 11.629 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.168 -6.257 9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.618 -5.441 9.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.366 -4.059 10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.249 -4.438 11.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.751 -5.228 11.614 1.00 0.00 H new ATOM 400 N LYS A 28 9.070 -11.670 11.031 1.00 0.00 N ATOM 401 CA LYS A 28 8.563 -12.839 11.742 1.00 0.00 C ATOM 402 C LYS A 28 8.857 -14.098 10.917 1.00 0.00 C ATOM 403 O LYS A 28 8.820 -14.041 9.687 1.00 0.00 O ATOM 404 CB LYS A 28 7.055 -12.694 11.998 1.00 0.00 C ATOM 405 CG LYS A 28 6.708 -11.496 12.891 1.00 0.00 C ATOM 406 CD LYS A 28 7.074 -11.718 14.362 1.00 0.00 C ATOM 407 CE LYS A 28 6.683 -10.484 15.181 1.00 0.00 C ATOM 408 NZ LYS A 28 7.005 -10.660 16.607 1.00 0.00 N ATOM 0 H LYS A 28 8.342 -11.068 10.647 1.00 0.00 H new ATOM 0 HA LYS A 28 9.061 -12.923 12.708 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.539 -12.589 11.044 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.682 -13.606 12.464 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.229 -10.612 12.522 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.640 -11.291 12.815 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.560 -12.599 14.746 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.144 -11.906 14.457 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.205 -9.609 14.794 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.616 -10.294 15.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.728 -9.807 17.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.488 -11.481 16.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.027 -10.817 16.715 1.00 0.00 H new ATOM 422 N PRO A 29 9.159 -15.236 11.566 1.00 0.00 N ATOM 423 CA PRO A 29 9.554 -16.456 10.883 1.00 0.00 C ATOM 424 C PRO A 29 8.413 -16.972 10.011 1.00 0.00 C ATOM 425 O PRO A 29 7.284 -17.112 10.478 1.00 0.00 O ATOM 426 CB PRO A 29 9.935 -17.449 11.986 1.00 0.00 C ATOM 427 CG PRO A 29 9.141 -16.958 13.196 1.00 0.00 C ATOM 428 CD PRO A 29 9.140 -15.441 13.005 1.00 0.00 C ATOM 0 HA PRO A 29 10.395 -16.296 10.208 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.666 -18.471 11.717 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.008 -17.442 12.180 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.130 -17.365 13.209 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.613 -17.248 14.135 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.257 -14.988 13.455 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.009 -14.984 13.479 1.00 0.00 H new ATOM 436 N GLY A 30 8.720 -17.240 8.738 1.00 0.00 N ATOM 437 CA GLY A 30 7.765 -17.732 7.761 1.00 0.00 C ATOM 438 C GLY A 30 7.309 -16.646 6.793 1.00 0.00 C ATOM 439 O GLY A 30 7.023 -16.962 5.640 1.00 0.00 O ATOM 0 H GLY A 30 9.659 -17.116 8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.214 -18.550 7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.897 -18.140 8.279 1.00 0.00 H new ATOM 443 N VAL A 31 7.229 -15.386 7.244 1.00 0.00 N ATOM 444 CA VAL A 31 6.746 -14.283 6.421 1.00 0.00 C ATOM 445 C VAL A 31 7.748 -13.989 5.304 1.00 0.00 C ATOM 446 O VAL A 31 8.948 -13.893 5.554 1.00 0.00 O ATOM 447 CB VAL A 31 6.460 -13.037 7.276 1.00 0.00 C ATOM 448 CG1 VAL A 31 5.899 -11.905 6.403 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.428 -13.371 8.358 1.00 0.00 C ATOM 0 H VAL A 31 7.498 -15.110 8.188 1.00 0.00 H new ATOM 0 HA VAL A 31 5.801 -14.573 5.961 1.00 0.00 H new ATOM 0 HB VAL A 31 7.396 -12.718 7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.702 -11.031 7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.625 -11.647 5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.972 -12.233 5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.231 -12.483 8.959 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.503 -13.704 7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.815 -14.164 8.998 1.00 0.00 H new ATOM 459 N LYS A 32 7.235 -13.854 4.075 1.00 0.00 N ATOM 460 CA LYS A 32 8.005 -13.561 2.878 1.00 0.00 C ATOM 461 C LYS A 32 7.738 -12.104 2.488 1.00 0.00 C ATOM 462 O LYS A 32 8.318 -11.203 3.089 1.00 0.00 O ATOM 463 CB LYS A 32 7.653 -14.578 1.779 1.00 0.00 C ATOM 464 CG LYS A 32 7.912 -16.012 2.252 1.00 0.00 C ATOM 465 CD LYS A 32 7.775 -16.994 1.083 1.00 0.00 C ATOM 466 CE LYS A 32 7.819 -18.446 1.571 1.00 0.00 C ATOM 467 NZ LYS A 32 6.590 -18.810 2.297 1.00 0.00 N ATOM 0 H LYS A 32 6.237 -13.951 3.889 1.00 0.00 H new ATOM 0 HA LYS A 32 9.077 -13.663 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.605 -14.468 1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.245 -14.373 0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.911 -16.085 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.206 -16.275 3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.836 -16.812 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.578 -16.824 0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.951 -19.113 0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.682 -18.586 2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.420 -19.832 2.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.697 -18.569 3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.784 -18.286 1.900 1.00 0.00 H new ATOM 481 N SER A 33 6.857 -11.864 1.507 1.00 0.00 N ATOM 482 CA SER A 33 6.409 -10.533 1.130 1.00 0.00 C ATOM 483 C SER A 33 5.191 -10.151 1.971 1.00 0.00 C ATOM 484 O SER A 33 4.433 -11.015 2.408 1.00 0.00 O ATOM 485 CB SER A 33 6.094 -10.505 -0.370 1.00 0.00 C ATOM 486 OG SER A 33 5.186 -11.532 -0.710 1.00 0.00 O ATOM 0 H SER A 33 6.434 -12.606 0.950 1.00 0.00 H new ATOM 0 HA SER A 33 7.194 -9.801 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.673 -9.537 -0.640 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.014 -10.623 -0.942 1.00 0.00 H new ATOM 0 HG SER A 33 4.997 -11.496 -1.671 1.00 0.00 H new ATOM 492 N ILE A 34 5.013 -8.849 2.211 1.00 0.00 N ATOM 493 CA ILE A 34 3.891 -8.324 2.971 1.00 0.00 C ATOM 494 C ILE A 34 3.559 -6.917 2.475 1.00 0.00 C ATOM 495 O ILE A 34 4.449 -6.086 2.308 1.00 0.00 O ATOM 496 CB ILE A 34 4.163 -8.399 4.485 1.00 0.00 C ATOM 497 CG1 ILE A 34 3.053 -7.643 5.233 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.559 -7.880 4.860 1.00 0.00 C ATOM 499 CD1 ILE A 34 3.046 -7.904 6.740 1.00 0.00 C ATOM 0 H ILE A 34 5.653 -8.129 1.877 1.00 0.00 H new ATOM 0 HA ILE A 34 3.007 -8.941 2.807 1.00 0.00 H new ATOM 0 HB ILE A 34 4.151 -9.447 4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.171 -6.574 5.058 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.086 -7.929 4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.698 -7.956 5.938 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.317 -8.477 4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.654 -6.838 4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.237 -7.339 7.203 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.897 -8.968 6.924 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.999 -7.592 7.168 1.00 0.00 H new ATOM 511 N ARG A 35 2.266 -6.680 2.223 1.00 0.00 N ATOM 512 CA ARG A 35 1.727 -5.459 1.652 1.00 0.00 C ATOM 513 C ARG A 35 0.727 -4.878 2.653 1.00 0.00 C ATOM 514 O ARG A 35 -0.440 -5.269 2.653 1.00 0.00 O ATOM 515 CB ARG A 35 1.019 -5.778 0.324 1.00 0.00 C ATOM 516 CG ARG A 35 1.924 -6.121 -0.872 1.00 0.00 C ATOM 517 CD ARG A 35 2.776 -7.398 -0.769 1.00 0.00 C ATOM 518 NE ARG A 35 2.031 -8.539 -0.207 1.00 0.00 N ATOM 519 CZ ARG A 35 2.002 -9.802 -0.664 1.00 0.00 C ATOM 520 NH1 ARG A 35 2.616 -10.166 -1.799 1.00 0.00 N ATOM 521 NH2 ARG A 35 1.333 -10.726 0.038 1.00 0.00 N ATOM 0 H ARG A 35 1.542 -7.370 2.424 1.00 0.00 H new ATOM 0 HA ARG A 35 2.524 -4.742 1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.342 -6.616 0.491 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.403 -4.921 0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.295 -6.206 -1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.596 -5.279 -1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.145 -7.664 -1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.648 -7.198 -0.147 1.00 0.00 H new ATOM 0 HE ARG A 35 1.473 -8.347 0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.127 -9.474 -2.347 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.572 -11.135 -2.115 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.858 -10.465 0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.299 -11.691 -0.291 1.00 0.00 H new ATOM 535 N VAL A 36 1.180 -3.946 3.502 1.00 0.00 N ATOM 536 CA VAL A 36 0.321 -3.228 4.437 1.00 0.00 C ATOM 537 C VAL A 36 -0.192 -1.959 3.755 1.00 0.00 C ATOM 538 O VAL A 36 0.604 -1.161 3.264 1.00 0.00 O ATOM 539 CB VAL A 36 1.076 -2.917 5.741 1.00 0.00 C ATOM 540 CG1 VAL A 36 0.160 -2.194 6.736 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.585 -4.202 6.403 1.00 0.00 C ATOM 0 H VAL A 36 2.161 -3.671 3.555 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.533 -3.847 4.712 1.00 0.00 H new ATOM 0 HB VAL A 36 1.921 -2.280 5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.712 -1.983 7.652 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.187 -1.258 6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.697 -2.826 6.967 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.115 -3.952 7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.740 -4.851 6.635 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.262 -4.718 5.723 1.00 0.00 H new ATOM 551 N SER A 37 -1.520 -1.780 3.730 1.00 0.00 N ATOM 552 CA SER A 37 -2.191 -0.621 3.155 1.00 0.00 C ATOM 553 C SER A 37 -2.993 0.114 4.231 1.00 0.00 C ATOM 554 O SER A 37 -3.823 -0.490 4.909 1.00 0.00 O ATOM 555 CB SER A 37 -3.111 -1.074 2.018 1.00 0.00 C ATOM 556 OG SER A 37 -3.850 0.021 1.514 1.00 0.00 O ATOM 0 H SER A 37 -2.170 -2.461 4.122 1.00 0.00 H new ATOM 0 HA SER A 37 -1.444 0.065 2.756 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.519 -1.520 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.792 -1.845 2.378 1.00 0.00 H new ATOM 0 HG SER A 37 -4.523 -0.303 0.880 1.00 0.00 H new ATOM 562 N LEU A 38 -2.751 1.425 4.356 1.00 0.00 N ATOM 563 CA LEU A 38 -3.543 2.342 5.166 1.00 0.00 C ATOM 564 C LEU A 38 -4.891 2.587 4.487 1.00 0.00 C ATOM 565 O LEU A 38 -5.932 2.507 5.137 1.00 0.00 O ATOM 566 CB LEU A 38 -2.764 3.658 5.330 1.00 0.00 C ATOM 567 CG LEU A 38 -3.510 4.767 6.090 1.00 0.00 C ATOM 568 CD1 LEU A 38 -3.784 4.377 7.547 1.00 0.00 C ATOM 569 CD2 LEU A 38 -2.661 6.043 6.067 1.00 0.00 C ATOM 0 H LEU A 38 -1.975 1.884 3.880 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.729 1.915 6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.830 3.447 5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.500 4.031 4.341 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.469 4.927 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.312 5.188 8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.395 3.475 7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.839 4.190 8.057 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.182 6.836 6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.701 5.850 6.546 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.496 6.351 5.035 1.00 0.00 H new ATOM 581 N ALA A 39 -4.860 2.882 3.181 1.00 0.00 N ATOM 582 CA ALA A 39 -6.032 3.183 2.369 1.00 0.00 C ATOM 583 C ALA A 39 -7.095 2.091 2.489 1.00 0.00 C ATOM 584 O ALA A 39 -8.270 2.395 2.685 1.00 0.00 O ATOM 585 CB ALA A 39 -5.607 3.370 0.910 1.00 0.00 C ATOM 0 H ALA A 39 -3.990 2.917 2.650 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.479 4.107 2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.483 3.595 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.896 4.193 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.139 2.455 0.547 1.00 0.00 H new ATOM 591 N ASN A 40 -6.676 0.824 2.386 1.00 0.00 N ATOM 592 CA ASN A 40 -7.563 -0.326 2.518 1.00 0.00 C ATOM 593 C ASN A 40 -7.668 -0.794 3.975 1.00 0.00 C ATOM 594 O ASN A 40 -8.537 -1.609 4.278 1.00 0.00 O ATOM 595 CB ASN A 40 -7.065 -1.466 1.625 1.00 0.00 C ATOM 596 CG ASN A 40 -6.949 -1.044 0.162 1.00 0.00 C ATOM 597 OD1 ASN A 40 -5.844 -0.881 -0.352 1.00 0.00 O ATOM 598 ND2 ASN A 40 -8.086 -0.867 -0.512 1.00 0.00 N ATOM 0 H ASN A 40 -5.704 0.572 2.207 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.561 -0.025 2.199 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.093 -1.806 1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.748 -2.312 1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.059 -0.586 -1.492 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.982 -1.013 -0.047 1.00 0.00 H new ATOM 605 N SER A 41 -6.800 -0.290 4.867 1.00 0.00 N ATOM 606 CA SER A 41 -6.758 -0.634 6.284 1.00 0.00 C ATOM 607 C SER A 41 -6.667 -2.148 6.461 1.00 0.00 C ATOM 608 O SER A 41 -7.521 -2.762 7.099 1.00 0.00 O ATOM 609 CB SER A 41 -7.950 -0.008 7.021 1.00 0.00 C ATOM 610 OG SER A 41 -7.849 1.400 6.986 1.00 0.00 O ATOM 0 H SER A 41 -6.087 0.391 4.605 1.00 0.00 H new ATOM 0 HA SER A 41 -5.859 -0.215 6.736 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.884 -0.326 6.557 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.973 -0.354 8.054 1.00 0.00 H new ATOM 0 HG SER A 41 -7.149 1.662 6.352 1.00 0.00 H new ATOM 616 N ASN A 42 -5.624 -2.748 5.875 1.00 0.00 N ATOM 617 CA ASN A 42 -5.418 -4.188 5.887 1.00 0.00 C ATOM 618 C ASN A 42 -3.951 -4.538 5.648 1.00 0.00 C ATOM 619 O ASN A 42 -3.139 -3.675 5.313 1.00 0.00 O ATOM 620 CB ASN A 42 -6.364 -4.883 4.888 1.00 0.00 C ATOM 621 CG ASN A 42 -6.095 -4.564 3.416 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.092 -3.950 3.062 1.00 0.00 O ATOM 623 ND2 ASN A 42 -7.004 -4.995 2.541 1.00 0.00 N ATOM 0 H ASN A 42 -4.896 -2.236 5.376 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.668 -4.566 6.878 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.290 -5.961 5.030 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.390 -4.600 5.124 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.877 -4.817 1.545 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.826 -5.502 2.868 1.00 0.00 H new ATOM 630 N GLY A 43 -3.634 -5.824 5.827 1.00 0.00 N ATOM 631 CA GLY A 43 -2.337 -6.418 5.579 1.00 0.00 C ATOM 632 C GLY A 43 -2.535 -7.672 4.741 1.00 0.00 C ATOM 633 O GLY A 43 -3.157 -8.628 5.206 1.00 0.00 O ATOM 0 H GLY A 43 -4.315 -6.504 6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.690 -5.712 5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.847 -6.665 6.521 1.00 0.00 H new ATOM 637 N THR A 44 -2.002 -7.662 3.515 1.00 0.00 N ATOM 638 CA THR A 44 -2.000 -8.806 2.618 1.00 0.00 C ATOM 639 C THR A 44 -0.618 -9.444 2.731 1.00 0.00 C ATOM 640 O THR A 44 0.353 -8.929 2.178 1.00 0.00 O ATOM 641 CB THR A 44 -2.351 -8.354 1.193 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.649 -7.796 1.194 1.00 0.00 O ATOM 643 CG2 THR A 44 -2.320 -9.526 0.206 1.00 0.00 C ATOM 0 H THR A 44 -1.552 -6.838 3.117 1.00 0.00 H new ATOM 0 HA THR A 44 -2.754 -9.547 2.883 1.00 0.00 H new ATOM 0 HB THR A 44 -1.610 -7.619 0.878 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.880 -7.503 0.288 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.573 -9.168 -0.792 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.322 -9.964 0.192 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.043 -10.281 0.515 1.00 0.00 H new ATOM 651 N VAL A 45 -0.541 -10.548 3.481 1.00 0.00 N ATOM 652 CA VAL A 45 0.698 -11.191 3.892 1.00 0.00 C ATOM 653 C VAL A 45 0.896 -12.482 3.102 1.00 0.00 C ATOM 654 O VAL A 45 -0.065 -13.225 2.906 1.00 0.00 O ATOM 655 CB VAL A 45 0.643 -11.503 5.402 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.028 -11.927 5.908 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.145 -10.309 6.230 1.00 0.00 C ATOM 0 H VAL A 45 -1.371 -11.030 3.827 1.00 0.00 H new ATOM 0 HA VAL A 45 1.535 -10.521 3.695 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.069 -12.318 5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.975 -12.144 6.975 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.354 -12.818 5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.741 -11.120 5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.125 -10.581 7.285 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.815 -9.462 6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.859 -10.036 5.907 1.00 0.00 H new ATOM 667 N GLU A 46 2.137 -12.747 2.675 1.00 0.00 N ATOM 668 CA GLU A 46 2.575 -14.017 2.112 1.00 0.00 C ATOM 669 C GLU A 46 3.468 -14.679 3.156 1.00 0.00 C ATOM 670 O GLU A 46 4.363 -14.027 3.691 1.00 0.00 O ATOM 671 CB GLU A 46 3.333 -13.777 0.805 1.00 0.00 C ATOM 672 CG GLU A 46 3.762 -15.086 0.135 1.00 0.00 C ATOM 673 CD GLU A 46 4.435 -14.804 -1.203 1.00 0.00 C ATOM 674 OE1 GLU A 46 3.686 -14.616 -2.186 1.00 0.00 O ATOM 675 OE2 GLU A 46 5.685 -14.777 -1.218 1.00 0.00 O ATOM 0 H GLU A 46 2.885 -12.055 2.716 1.00 0.00 H new ATOM 0 HA GLU A 46 1.728 -14.662 1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.702 -13.210 0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.214 -13.168 1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.448 -15.628 0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.893 -15.726 -0.016 1.00 0.00 H new ATOM 682 N TYR A 47 3.208 -15.953 3.466 1.00 0.00 N ATOM 683 CA TYR A 47 3.843 -16.641 4.577 1.00 0.00 C ATOM 684 C TYR A 47 3.971 -18.144 4.324 1.00 0.00 C ATOM 685 O TYR A 47 3.376 -18.679 3.390 1.00 0.00 O ATOM 686 CB TYR A 47 3.050 -16.365 5.862 1.00 0.00 C ATOM 687 CG TYR A 47 1.663 -16.982 5.867 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.624 -16.382 5.132 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.453 -18.234 6.474 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.597 -17.056 4.961 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.220 -18.892 6.327 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.797 -18.313 5.552 1.00 0.00 C ATOM 693 OH TYR A 47 -1.978 -18.972 5.373 1.00 0.00 O ATOM 0 H TYR A 47 2.548 -16.532 2.947 1.00 0.00 H new ATOM 0 HA TYR A 47 4.857 -16.257 4.685 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.611 -16.748 6.714 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.959 -15.287 5.998 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.765 -15.403 4.699 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.241 -18.690 7.054 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.383 -16.606 4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.055 -19.844 6.811 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.950 -19.828 5.849 1.00 0.00 H new ATOM 703 N ASP A 48 4.746 -18.809 5.192 1.00 0.00 N ATOM 704 CA ASP A 48 4.914 -20.254 5.239 1.00 0.00 C ATOM 705 C ASP A 48 4.044 -20.837 6.368 1.00 0.00 C ATOM 706 O ASP A 48 4.340 -20.579 7.534 1.00 0.00 O ATOM 707 CB ASP A 48 6.391 -20.578 5.483 1.00 0.00 C ATOM 708 CG ASP A 48 6.619 -22.082 5.594 1.00 0.00 C ATOM 709 OD1 ASP A 48 6.804 -22.717 4.535 1.00 0.00 O ATOM 710 OD2 ASP A 48 6.596 -22.571 6.744 1.00 0.00 O ATOM 0 H ASP A 48 5.292 -18.328 5.907 1.00 0.00 H new ATOM 0 HA ASP A 48 4.602 -20.697 4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.993 -20.176 4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.726 -20.089 6.398 1.00 0.00 H new ATOM 715 N PRO A 49 2.999 -21.623 6.046 1.00 0.00 N ATOM 716 CA PRO A 49 2.128 -22.314 6.994 1.00 0.00 C ATOM 717 C PRO A 49 2.831 -23.002 8.169 1.00 0.00 C ATOM 718 O PRO A 49 2.349 -22.928 9.297 1.00 0.00 O ATOM 719 CB PRO A 49 1.349 -23.333 6.162 1.00 0.00 C ATOM 720 CG PRO A 49 1.200 -22.607 4.831 1.00 0.00 C ATOM 721 CD PRO A 49 2.537 -21.882 4.692 1.00 0.00 C ATOM 0 HA PRO A 49 1.499 -21.572 7.486 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.891 -24.273 6.056 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.383 -23.571 6.608 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.028 -23.301 4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.361 -21.911 4.841 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.256 -22.492 4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.420 -20.952 4.136 1.00 0.00 H new ATOM 729 N LEU A 50 3.950 -23.688 7.911 1.00 0.00 N ATOM 730 CA LEU A 50 4.638 -24.479 8.923 1.00 0.00 C ATOM 731 C LEU A 50 5.268 -23.598 10.009 1.00 0.00 C ATOM 732 O LEU A 50 5.406 -24.044 11.146 1.00 0.00 O ATOM 733 CB LEU A 50 5.697 -25.390 8.281 1.00 0.00 C ATOM 734 CG LEU A 50 5.185 -26.224 7.093 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.331 -27.091 6.559 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.006 -27.123 7.485 1.00 0.00 C ATOM 0 H LEU A 50 4.399 -23.707 6.995 1.00 0.00 H new ATOM 0 HA LEU A 50 3.888 -25.106 9.406 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.531 -24.775 7.944 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.086 -26.066 9.042 1.00 0.00 H new ATOM 0 HG LEU A 50 4.833 -25.535 6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.976 -27.685 5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.150 -26.450 6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.683 -27.755 7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.678 -27.693 6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.318 -27.810 8.272 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.183 -26.507 7.846 1.00 0.00 H new ATOM 748 N LEU A 51 5.650 -22.361 9.662 1.00 0.00 N ATOM 749 CA LEU A 51 6.357 -21.443 10.547 1.00 0.00 C ATOM 750 C LEU A 51 5.410 -20.413 11.173 1.00 0.00 C ATOM 751 O LEU A 51 5.626 -20.018 12.317 1.00 0.00 O ATOM 752 CB LEU A 51 7.485 -20.757 9.765 1.00 0.00 C ATOM 753 CG LEU A 51 8.623 -21.716 9.372 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.530 -21.036 8.341 1.00 0.00 C ATOM 755 CD2 LEU A 51 9.473 -22.126 10.584 1.00 0.00 C ATOM 0 H LEU A 51 5.469 -21.969 8.738 1.00 0.00 H new ATOM 0 HA LEU A 51 6.785 -22.013 11.372 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.071 -20.307 8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.894 -19.946 10.367 1.00 0.00 H new ATOM 0 HG LEU A 51 8.167 -22.614 8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.336 -21.714 8.062 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.947 -20.781 7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.952 -20.128 8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.264 -22.803 10.261 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.916 -21.238 11.035 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.842 -22.629 11.317 1.00 0.00 H new ATOM 767 N THR A 52 4.369 -19.977 10.450 1.00 0.00 N ATOM 768 CA THR A 52 3.367 -19.047 10.967 1.00 0.00 C ATOM 769 C THR A 52 2.027 -19.274 10.264 1.00 0.00 C ATOM 770 O THR A 52 1.953 -20.029 9.298 1.00 0.00 O ATOM 771 CB THR A 52 3.872 -17.599 10.848 1.00 0.00 C ATOM 772 OG1 THR A 52 3.022 -16.721 11.555 1.00 0.00 O ATOM 773 CG2 THR A 52 3.970 -17.134 9.393 1.00 0.00 C ATOM 0 H THR A 52 4.202 -20.264 9.486 1.00 0.00 H new ATOM 0 HA THR A 52 3.202 -19.234 12.028 1.00 0.00 H new ATOM 0 HB THR A 52 4.873 -17.581 11.278 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.357 -15.804 11.472 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.331 -16.106 9.363 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.663 -17.778 8.851 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.986 -17.187 8.927 1.00 0.00 H new ATOM 781 N SER A 53 0.966 -18.626 10.759 1.00 0.00 N ATOM 782 CA SER A 53 -0.403 -18.795 10.285 1.00 0.00 C ATOM 783 C SER A 53 -1.140 -17.452 10.341 1.00 0.00 C ATOM 784 O SER A 53 -0.672 -16.540 11.023 1.00 0.00 O ATOM 785 CB SER A 53 -1.099 -19.844 11.161 1.00 0.00 C ATOM 786 OG SER A 53 -1.342 -19.319 12.451 1.00 0.00 O ATOM 0 H SER A 53 1.043 -17.952 11.521 1.00 0.00 H new ATOM 0 HA SER A 53 -0.407 -19.137 9.250 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.039 -20.147 10.701 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.478 -20.737 11.235 1.00 0.00 H new ATOM 0 HG SER A 53 -1.788 -19.996 13.001 1.00 0.00 H new ATOM 792 N PRO A 54 -2.293 -17.306 9.662 1.00 0.00 N ATOM 793 CA PRO A 54 -3.118 -16.106 9.731 1.00 0.00 C ATOM 794 C PRO A 54 -3.457 -15.709 11.169 1.00 0.00 C ATOM 795 O PRO A 54 -3.481 -14.523 11.491 1.00 0.00 O ATOM 796 CB PRO A 54 -4.382 -16.419 8.924 1.00 0.00 C ATOM 797 CG PRO A 54 -3.909 -17.485 7.939 1.00 0.00 C ATOM 798 CD PRO A 54 -2.908 -18.279 8.772 1.00 0.00 C ATOM 0 HA PRO A 54 -2.582 -15.249 9.323 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.186 -16.787 9.561 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.761 -15.536 8.410 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.732 -18.109 7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.445 -17.045 7.056 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.404 -19.069 9.335 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.162 -18.759 8.139 1.00 0.00 H new ATOM 806 N GLU A 55 -3.709 -16.703 12.029 1.00 0.00 N ATOM 807 CA GLU A 55 -4.054 -16.509 13.429 1.00 0.00 C ATOM 808 C GLU A 55 -2.871 -15.907 14.190 1.00 0.00 C ATOM 809 O GLU A 55 -3.050 -14.964 14.958 1.00 0.00 O ATOM 810 CB GLU A 55 -4.485 -17.840 14.067 1.00 0.00 C ATOM 811 CG GLU A 55 -5.771 -18.430 13.465 1.00 0.00 C ATOM 812 CD GLU A 55 -5.600 -18.960 12.041 1.00 0.00 C ATOM 813 OE1 GLU A 55 -4.561 -19.609 11.791 1.00 0.00 O ATOM 814 OE2 GLU A 55 -6.510 -18.702 11.223 1.00 0.00 O ATOM 0 H GLU A 55 -3.676 -17.686 11.757 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.892 -15.814 13.486 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.678 -18.564 13.955 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.632 -17.689 15.136 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.122 -19.240 14.104 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.546 -17.664 13.467 1.00 0.00 H new ATOM 821 N THR A 56 -1.665 -16.450 13.978 1.00 0.00 N ATOM 822 CA THR A 56 -0.445 -15.951 14.600 1.00 0.00 C ATOM 823 C THR A 56 -0.165 -14.512 14.156 1.00 0.00 C ATOM 824 O THR A 56 0.135 -13.660 14.991 1.00 0.00 O ATOM 825 CB THR A 56 0.726 -16.882 14.255 1.00 0.00 C ATOM 826 OG1 THR A 56 0.405 -18.206 14.622 1.00 0.00 O ATOM 827 CG2 THR A 56 2.017 -16.472 14.970 1.00 0.00 C ATOM 0 H THR A 56 -1.514 -17.252 13.366 1.00 0.00 H new ATOM 0 HA THR A 56 -0.570 -15.940 15.683 1.00 0.00 H new ATOM 0 HB THR A 56 0.892 -16.809 13.180 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.156 -18.611 13.928 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.818 -17.158 14.696 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.290 -15.459 14.675 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.862 -16.506 16.048 1.00 0.00 H new ATOM 835 N LEU A 57 -0.267 -14.245 12.849 1.00 0.00 N ATOM 836 CA LEU A 57 -0.039 -12.929 12.265 1.00 0.00 C ATOM 837 C LEU A 57 -1.018 -11.906 12.846 1.00 0.00 C ATOM 838 O LEU A 57 -0.600 -10.843 13.299 1.00 0.00 O ATOM 839 CB LEU A 57 -0.157 -13.015 10.737 1.00 0.00 C ATOM 840 CG LEU A 57 0.959 -13.862 10.101 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.568 -14.245 8.668 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.295 -13.114 10.081 1.00 0.00 C ATOM 0 H LEU A 57 -0.515 -14.954 12.159 1.00 0.00 H new ATOM 0 HA LEU A 57 0.968 -12.594 12.513 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.125 -13.442 10.475 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.128 -12.009 10.317 1.00 0.00 H new ATOM 0 HG LEU A 57 1.081 -14.759 10.708 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.362 -14.845 8.222 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.357 -14.822 8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.421 -13.341 8.077 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.058 -13.744 9.625 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.189 -12.196 9.503 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.590 -12.868 11.101 1.00 0.00 H new ATOM 854 N ARG A 58 -2.314 -12.242 12.852 1.00 0.00 N ATOM 855 CA ARG A 58 -3.364 -11.455 13.486 1.00 0.00 C ATOM 856 C ARG A 58 -2.996 -11.151 14.941 1.00 0.00 C ATOM 857 O ARG A 58 -3.080 -10.002 15.369 1.00 0.00 O ATOM 858 CB ARG A 58 -4.686 -12.226 13.380 1.00 0.00 C ATOM 859 CG ARG A 58 -5.849 -11.513 14.081 1.00 0.00 C ATOM 860 CD ARG A 58 -7.171 -12.255 13.868 1.00 0.00 C ATOM 861 NE ARG A 58 -7.072 -13.680 14.217 1.00 0.00 N ATOM 862 CZ ARG A 58 -6.996 -14.171 15.465 1.00 0.00 C ATOM 863 NH1 ARG A 58 -7.043 -13.359 16.532 1.00 0.00 N ATOM 864 NH2 ARG A 58 -6.870 -15.491 15.648 1.00 0.00 N ATOM 0 H ARG A 58 -2.663 -13.089 12.404 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.476 -10.496 12.979 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.935 -12.369 12.328 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.559 -13.217 13.815 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.641 -11.437 15.148 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.936 -10.495 13.700 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.949 -11.788 14.472 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.476 -12.158 12.826 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.060 -14.351 13.448 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.138 -12.352 16.403 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.984 -13.749 17.473 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.832 -16.116 14.843 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.812 -15.872 16.593 1.00 0.00 H new ATOM 878 N GLY A 59 -2.580 -12.179 15.689 1.00 0.00 N ATOM 879 CA GLY A 59 -2.146 -12.063 17.072 1.00 0.00 C ATOM 880 C GLY A 59 -1.003 -11.060 17.240 1.00 0.00 C ATOM 881 O GLY A 59 -1.044 -10.235 18.148 1.00 0.00 O ATOM 0 H GLY A 59 -2.537 -13.134 15.334 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.989 -11.756 17.691 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.825 -13.040 17.433 1.00 0.00 H new ATOM 885 N ALA A 60 0.012 -11.126 16.369 1.00 0.00 N ATOM 886 CA ALA A 60 1.167 -10.238 16.409 1.00 0.00 C ATOM 887 C ALA A 60 0.755 -8.783 16.169 1.00 0.00 C ATOM 888 O ALA A 60 1.151 -7.899 16.923 1.00 0.00 O ATOM 889 CB ALA A 60 2.209 -10.699 15.387 1.00 0.00 C ATOM 0 H ALA A 60 0.049 -11.807 15.611 1.00 0.00 H new ATOM 0 HA ALA A 60 1.611 -10.284 17.403 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.071 -10.032 15.420 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.526 -11.715 15.624 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.773 -10.679 14.388 1.00 0.00 H new ATOM 895 N ILE A 61 -0.049 -8.536 15.128 1.00 0.00 N ATOM 896 CA ILE A 61 -0.574 -7.213 14.804 1.00 0.00 C ATOM 897 C ILE A 61 -1.398 -6.671 15.981 1.00 0.00 C ATOM 898 O ILE A 61 -1.285 -5.497 16.333 1.00 0.00 O ATOM 899 CB ILE A 61 -1.391 -7.302 13.500 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.493 -7.696 12.310 1.00 0.00 C ATOM 901 CG2 ILE A 61 -2.069 -5.959 13.197 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.297 -8.287 11.147 1.00 0.00 C ATOM 0 H ILE A 61 -0.355 -9.263 14.481 1.00 0.00 H new ATOM 0 HA ILE A 61 0.241 -6.508 14.640 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.152 -8.070 13.640 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.053 -6.819 11.963 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.249 -8.422 12.642 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.641 -6.041 12.273 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.738 -5.696 14.016 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.310 -5.185 13.086 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.621 -8.549 10.333 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.822 -9.181 11.485 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.021 -7.552 10.795 1.00 0.00 H new ATOM 914 N GLU A 62 -2.217 -7.530 16.599 1.00 0.00 N ATOM 915 CA GLU A 62 -3.014 -7.179 17.764 1.00 0.00 C ATOM 916 C GLU A 62 -2.119 -6.809 18.949 1.00 0.00 C ATOM 917 O GLU A 62 -2.400 -5.838 19.649 1.00 0.00 O ATOM 918 CB GLU A 62 -3.976 -8.329 18.098 1.00 0.00 C ATOM 919 CG GLU A 62 -5.100 -7.892 19.046 1.00 0.00 C ATOM 920 CD GLU A 62 -6.014 -6.849 18.405 1.00 0.00 C ATOM 921 OE1 GLU A 62 -6.697 -7.216 17.425 1.00 0.00 O ATOM 922 OE2 GLU A 62 -6.010 -5.701 18.903 1.00 0.00 O ATOM 0 H GLU A 62 -2.341 -8.496 16.296 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.612 -6.296 17.539 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.411 -8.715 17.176 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.417 -9.146 18.553 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.689 -8.762 19.335 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.666 -7.483 19.959 1.00 0.00 H new ATOM 929 N ASP A 63 -1.040 -7.572 19.163 1.00 0.00 N ATOM 930 CA ASP A 63 -0.067 -7.331 20.218 1.00 0.00 C ATOM 931 C ASP A 63 0.624 -5.977 20.032 1.00 0.00 C ATOM 932 O ASP A 63 0.810 -5.256 21.011 1.00 0.00 O ATOM 933 CB ASP A 63 0.944 -8.482 20.270 1.00 0.00 C ATOM 934 CG ASP A 63 1.945 -8.300 21.407 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.568 -8.625 22.554 1.00 0.00 O ATOM 936 OD2 ASP A 63 3.068 -7.837 21.110 1.00 0.00 O ATOM 0 H ASP A 63 -0.821 -8.389 18.592 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.588 -7.293 21.175 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.415 -9.426 20.398 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.477 -8.542 19.321 1.00 0.00 H new ATOM 941 N MET A 64 0.988 -5.623 18.791 1.00 0.00 N ATOM 942 CA MET A 64 1.531 -4.305 18.478 1.00 0.00 C ATOM 943 C MET A 64 0.531 -3.212 18.866 1.00 0.00 C ATOM 944 O MET A 64 0.921 -2.231 19.496 1.00 0.00 O ATOM 945 CB MET A 64 1.914 -4.196 16.996 1.00 0.00 C ATOM 946 CG MET A 64 3.137 -5.054 16.656 1.00 0.00 C ATOM 947 SD MET A 64 3.707 -4.909 14.941 1.00 0.00 S ATOM 948 CE MET A 64 4.333 -3.208 14.968 1.00 0.00 C ATOM 0 H MET A 64 0.913 -6.243 17.984 1.00 0.00 H new ATOM 0 HA MET A 64 2.441 -4.166 19.062 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.070 -4.506 16.380 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.122 -3.155 16.751 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.955 -4.778 17.322 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.900 -6.098 16.859 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.956 -3.036 14.090 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.495 -2.512 14.960 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.925 -3.053 15.870 1.00 0.00 H new ATOM 958 N GLY A 65 -0.747 -3.395 18.509 1.00 0.00 N ATOM 959 CA GLY A 65 -1.844 -2.561 18.982 1.00 0.00 C ATOM 960 C GLY A 65 -2.676 -2.016 17.828 1.00 0.00 C ATOM 961 O GLY A 65 -2.819 -0.802 17.691 1.00 0.00 O ATOM 0 H GLY A 65 -1.045 -4.137 17.876 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.482 -3.142 19.648 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.445 -1.732 19.566 1.00 0.00 H new ATOM 965 N PHE A 66 -3.236 -2.917 17.013 1.00 0.00 N ATOM 966 CA PHE A 66 -4.153 -2.585 15.931 1.00 0.00 C ATOM 967 C PHE A 66 -5.254 -3.640 15.902 1.00 0.00 C ATOM 968 O PHE A 66 -4.968 -4.818 16.101 1.00 0.00 O ATOM 969 CB PHE A 66 -3.403 -2.537 14.596 1.00 0.00 C ATOM 970 CG PHE A 66 -2.233 -1.577 14.586 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.474 -0.200 14.446 1.00 0.00 C ATOM 972 CD2 PHE A 66 -0.936 -2.037 14.889 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.426 0.720 14.616 1.00 0.00 C ATOM 974 CE2 PHE A 66 0.113 -1.116 15.053 1.00 0.00 C ATOM 975 CZ PHE A 66 -0.130 0.262 14.914 1.00 0.00 C ATOM 0 H PHE A 66 -3.057 -3.918 17.094 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.593 -1.601 16.094 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.042 -3.537 14.357 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.101 -2.253 13.808 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.467 0.152 14.207 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.748 -3.095 14.995 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.615 1.779 14.518 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.107 -1.467 15.286 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.678 0.968 15.036 1.00 0.00 H new ATOM 985 N ASP A 67 -6.502 -3.226 15.661 1.00 0.00 N ATOM 986 CA ASP A 67 -7.645 -4.127 15.648 1.00 0.00 C ATOM 987 C ASP A 67 -7.537 -5.060 14.441 1.00 0.00 C ATOM 988 O ASP A 67 -7.911 -4.690 13.329 1.00 0.00 O ATOM 989 CB ASP A 67 -8.946 -3.318 15.649 1.00 0.00 C ATOM 990 CG ASP A 67 -10.172 -4.218 15.517 1.00 0.00 C ATOM 991 OD1 ASP A 67 -10.360 -5.058 16.425 1.00 0.00 O ATOM 992 OD2 ASP A 67 -10.900 -4.053 14.514 1.00 0.00 O ATOM 0 H ASP A 67 -6.742 -2.253 15.470 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.653 -4.745 16.546 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.015 -2.742 16.572 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.930 -2.602 14.827 1.00 0.00 H new ATOM 997 N ALA A 68 -7.003 -6.262 14.679 1.00 0.00 N ATOM 998 CA ALA A 68 -6.670 -7.239 13.659 1.00 0.00 C ATOM 999 C ALA A 68 -7.771 -8.296 13.581 1.00 0.00 C ATOM 1000 O ALA A 68 -8.139 -8.876 14.601 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.318 -7.867 14.000 1.00 0.00 C ATOM 0 H ALA A 68 -6.787 -6.585 15.622 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.597 -6.760 12.683 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.057 -8.603 13.240 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.554 -7.091 14.031 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.379 -8.355 14.973 1.00 0.00 H new ATOM 1007 N THR A 69 -8.301 -8.545 12.376 1.00 0.00 N ATOM 1008 CA THR A 69 -9.376 -9.506 12.153 1.00 0.00 C ATOM 1009 C THR A 69 -9.225 -10.104 10.755 1.00 0.00 C ATOM 1010 O THR A 69 -9.071 -9.361 9.791 1.00 0.00 O ATOM 1011 CB THR A 69 -10.740 -8.813 12.320 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.805 -8.159 13.571 1.00 0.00 O ATOM 1013 CG2 THR A 69 -11.890 -9.821 12.234 1.00 0.00 C ATOM 0 H THR A 69 -7.989 -8.078 11.525 1.00 0.00 H new ATOM 0 HA THR A 69 -9.319 -10.311 12.886 1.00 0.00 H new ATOM 0 HB THR A 69 -10.840 -8.089 11.512 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.676 -7.720 13.666 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.840 -9.300 12.356 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.869 -10.315 11.263 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.781 -10.566 13.022 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.270 -11.438 10.638 1.00 0.00 N ATOM 1022 CA LEU A 70 -9.083 -12.140 9.371 1.00 0.00 C ATOM 1023 C LEU A 70 -10.123 -11.683 8.343 1.00 0.00 C ATOM 1024 O LEU A 70 -11.303 -11.571 8.674 1.00 0.00 O ATOM 1025 CB LEU A 70 -9.181 -13.661 9.575 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.259 -14.232 10.666 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -8.398 -15.758 10.708 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -6.789 -13.870 10.431 1.00 0.00 C ATOM 0 H LEU A 70 -9.439 -12.060 11.428 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.088 -11.900 8.995 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.212 -13.913 9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.950 -14.155 8.631 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.565 -13.791 11.615 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.744 -16.162 11.481 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.431 -16.023 10.931 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.117 -16.176 9.741 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.178 -14.295 11.227 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.465 -14.271 9.471 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.677 -12.786 10.428 1.00 0.00 H new ATOM 1040 N SER A 71 -9.682 -11.419 7.106 1.00 0.00 N ATOM 1041 CA SER A 71 -10.546 -11.041 5.994 1.00 0.00 C ATOM 1042 C SER A 71 -10.780 -12.252 5.094 1.00 0.00 C ATOM 1043 O SER A 71 -11.925 -12.590 4.799 1.00 0.00 O ATOM 1044 CB SER A 71 -9.917 -9.886 5.204 1.00 0.00 C ATOM 1045 OG SER A 71 -10.885 -9.276 4.378 1.00 0.00 O ATOM 0 H SER A 71 -8.695 -11.465 6.852 1.00 0.00 H new ATOM 0 HA SER A 71 -11.507 -10.702 6.381 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.500 -9.150 5.892 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.092 -10.258 4.596 1.00 0.00 H new ATOM 0 HG SER A 71 -10.473 -8.539 3.880 1.00 0.00 H new ATOM 1051 N ASP A 72 -9.690 -12.894 4.655 1.00 0.00 N ATOM 1052 CA ASP A 72 -9.719 -14.046 3.768 1.00 0.00 C ATOM 1053 C ASP A 72 -8.418 -14.828 3.933 1.00 0.00 C ATOM 1054 O ASP A 72 -7.355 -14.174 3.872 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.898 -13.577 2.318 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.900 -14.751 1.343 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -10.921 -15.473 1.325 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -8.885 -14.906 0.630 1.00 0.00 O ATOM 1059 OXT ASP A 72 -8.508 -16.060 4.115 1.00 0.00 O ATOM 0 H ASP A 72 -8.745 -12.614 4.917 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.557 -14.696 4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.834 -13.026 2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.095 -12.888 2.056 1.00 0.00 H new TER 1064 ASP A 72