USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=21 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 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 41:sc= 0.0669 USER MOD Single : A 11 HIS :FLIP no HD1:sc= -0.18 F(o=-0.75,f=-0.18) USER MOD Single : A 12 MET CE :methyl -174:sc= -1.93 (180deg=-2.02) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.853 F(o=-1.5,f=-0.85) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 39:sc= 0.9 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -179:sc= -1.19 USER MOD Single : A 35 THR OG1 : rot 77:sc= 1.15 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 90:sc= 0.316 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 82:sc= 0.391 USER MOD Single : A 66 ASN :FLIP amide:sc= -1.73 F(o=-3.8!,f=-1.7) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 54:sc= 0.696! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 42:sc= 0.717 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.475 -18.657 -42.382 1.00 0.00 N ATOM 2 CA GLY A 1 11.085 -17.285 -42.105 1.00 0.00 C ATOM 3 C GLY A 1 9.592 -17.075 -42.367 1.00 0.00 C ATOM 4 O GLY A 1 9.185 -16.845 -43.505 1.00 0.00 O ATOM 0 H1 GLY A 1 12.492 -18.773 -42.197 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.936 -19.302 -41.770 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.277 -18.880 -43.378 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.314 -17.041 -41.068 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.666 -16.605 -42.728 1.00 0.00 H new ATOM 8 N SER A 2 8.818 -17.162 -41.296 1.00 0.00 N ATOM 9 CA SER A 2 7.379 -16.985 -41.396 1.00 0.00 C ATOM 10 C SER A 2 6.891 -16.036 -40.300 1.00 0.00 C ATOM 11 O SER A 2 7.099 -16.292 -39.115 1.00 0.00 O ATOM 12 CB SER A 2 6.651 -18.327 -41.300 1.00 0.00 C ATOM 13 OG SER A 2 6.360 -18.871 -42.585 1.00 0.00 O ATOM 0 H SER A 2 9.160 -17.353 -40.354 1.00 0.00 H new ATOM 0 HA SER A 2 7.155 -16.550 -42.370 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.264 -19.032 -40.738 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.723 -18.197 -40.743 1.00 0.00 H new ATOM 0 HG SER A 2 5.897 -19.728 -42.480 1.00 0.00 H new ATOM 19 N SER A 3 6.252 -14.960 -40.735 1.00 0.00 N ATOM 20 CA SER A 3 5.733 -13.971 -39.805 1.00 0.00 C ATOM 21 C SER A 3 4.847 -14.651 -38.759 1.00 0.00 C ATOM 22 O SER A 3 4.248 -15.691 -39.029 1.00 0.00 O ATOM 23 CB SER A 3 4.946 -12.884 -40.540 1.00 0.00 C ATOM 24 OG SER A 3 5.559 -11.604 -40.412 1.00 0.00 O ATOM 0 H SER A 3 6.082 -14.751 -41.719 1.00 0.00 H new ATOM 0 HA SER A 3 6.577 -13.496 -39.305 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.867 -13.144 -41.595 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.931 -12.841 -40.145 1.00 0.00 H new ATOM 0 HG SER A 3 5.028 -10.937 -40.896 1.00 0.00 H new ATOM 30 N GLY A 4 4.793 -14.036 -37.586 1.00 0.00 N ATOM 31 CA GLY A 4 3.991 -14.569 -36.498 1.00 0.00 C ATOM 32 C GLY A 4 4.316 -16.043 -36.248 1.00 0.00 C ATOM 33 O GLY A 4 5.147 -16.626 -36.944 1.00 0.00 O ATOM 0 H GLY A 4 5.292 -13.174 -37.366 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.174 -13.994 -35.591 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.933 -14.461 -36.735 1.00 0.00 H new ATOM 37 N SER A 5 3.644 -16.604 -35.254 1.00 0.00 N ATOM 38 CA SER A 5 3.851 -17.999 -34.903 1.00 0.00 C ATOM 39 C SER A 5 2.768 -18.460 -33.926 1.00 0.00 C ATOM 40 O SER A 5 2.042 -19.413 -34.203 1.00 0.00 O ATOM 41 CB SER A 5 5.239 -18.215 -34.297 1.00 0.00 C ATOM 42 OG SER A 5 6.006 -19.158 -35.040 1.00 0.00 O ATOM 0 H SER A 5 2.955 -16.118 -34.680 1.00 0.00 H new ATOM 0 HA SER A 5 3.786 -18.593 -35.814 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.770 -17.264 -34.261 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.136 -18.562 -33.269 1.00 0.00 H new ATOM 0 HG SER A 5 6.886 -19.266 -34.622 1.00 0.00 H new ATOM 48 N SER A 6 2.693 -17.761 -32.803 1.00 0.00 N ATOM 49 CA SER A 6 1.710 -18.086 -31.783 1.00 0.00 C ATOM 50 C SER A 6 0.524 -17.124 -31.875 1.00 0.00 C ATOM 51 O SER A 6 -0.615 -17.553 -32.057 1.00 0.00 O ATOM 52 CB SER A 6 2.329 -18.034 -30.385 1.00 0.00 C ATOM 53 OG SER A 6 3.544 -18.774 -30.312 1.00 0.00 O ATOM 0 H SER A 6 3.297 -16.971 -32.577 1.00 0.00 H new ATOM 0 HA SER A 6 1.359 -19.103 -31.957 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.519 -16.996 -30.111 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.619 -18.430 -29.659 1.00 0.00 H new ATOM 0 HG SER A 6 3.909 -18.715 -29.404 1.00 0.00 H new ATOM 59 N GLY A 7 0.830 -15.842 -31.744 1.00 0.00 N ATOM 60 CA GLY A 7 -0.197 -14.816 -31.809 1.00 0.00 C ATOM 61 C GLY A 7 -0.352 -14.109 -30.461 1.00 0.00 C ATOM 62 O GLY A 7 0.588 -13.485 -29.972 1.00 0.00 O ATOM 0 H GLY A 7 1.775 -15.490 -31.593 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.060 -14.088 -32.578 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.147 -15.265 -32.099 1.00 0.00 H new ATOM 66 N LEU A 8 -1.545 -14.231 -29.899 1.00 0.00 N ATOM 67 CA LEU A 8 -1.836 -13.611 -28.617 1.00 0.00 C ATOM 68 C LEU A 8 -1.992 -14.699 -27.553 1.00 0.00 C ATOM 69 O LEU A 8 -2.901 -15.524 -27.634 1.00 0.00 O ATOM 70 CB LEU A 8 -3.048 -12.684 -28.732 1.00 0.00 C ATOM 71 CG LEU A 8 -4.230 -13.224 -29.540 1.00 0.00 C ATOM 72 CD1 LEU A 8 -5.559 -12.856 -28.878 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.163 -12.751 -30.993 1.00 0.00 C ATOM 0 H LEU A 8 -2.322 -14.750 -30.308 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.007 -12.976 -28.304 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.398 -12.449 -27.727 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.722 -11.747 -29.184 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.167 -14.312 -29.553 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.383 -13.251 -29.472 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.597 -13.283 -27.876 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.646 -11.771 -28.814 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.015 -13.149 -31.545 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.188 -11.662 -31.023 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.238 -13.105 -31.449 1.00 0.00 H new ATOM 85 N LEU A 9 -1.093 -14.665 -26.581 1.00 0.00 N ATOM 86 CA LEU A 9 -1.120 -15.638 -25.502 1.00 0.00 C ATOM 87 C LEU A 9 -0.704 -14.957 -24.196 1.00 0.00 C ATOM 88 O LEU A 9 -0.110 -13.880 -24.215 1.00 0.00 O ATOM 89 CB LEU A 9 -0.267 -16.857 -25.859 1.00 0.00 C ATOM 90 CG LEU A 9 -1.021 -18.178 -26.025 1.00 0.00 C ATOM 91 CD1 LEU A 9 -0.603 -18.889 -27.314 1.00 0.00 C ATOM 92 CD2 LEU A 9 -0.842 -19.070 -24.795 1.00 0.00 C ATOM 0 H LEU A 9 -0.341 -13.979 -26.518 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.131 -16.017 -25.356 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.263 -16.645 -26.787 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.488 -16.987 -25.083 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.085 -17.956 -26.110 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.153 -19.825 -27.408 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.824 -18.251 -28.170 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.466 -19.098 -27.284 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.388 -20.002 -24.939 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.217 -19.288 -24.654 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.227 -18.557 -23.914 1.00 0.00 H new ATOM 104 N SER A 10 -1.033 -15.614 -23.094 1.00 0.00 N ATOM 105 CA SER A 10 -0.702 -15.085 -21.781 1.00 0.00 C ATOM 106 C SER A 10 -0.643 -16.222 -20.759 1.00 0.00 C ATOM 107 O SER A 10 -1.041 -17.348 -21.054 1.00 0.00 O ATOM 108 CB SER A 10 -1.716 -14.027 -21.341 1.00 0.00 C ATOM 109 OG SER A 10 -1.237 -12.704 -21.566 1.00 0.00 O ATOM 0 H SER A 10 -1.525 -16.507 -23.083 1.00 0.00 H new ATOM 0 HA SER A 10 0.276 -14.608 -21.841 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.650 -14.172 -21.884 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.939 -14.157 -20.282 1.00 0.00 H new ATOM 0 HG SER A 10 -0.774 -12.666 -22.429 1.00 0.00 H new ATOM 115 N HIS A 11 -0.144 -15.888 -19.578 1.00 0.00 N ATOM 116 CA HIS A 11 -0.029 -16.866 -18.510 1.00 0.00 C ATOM 117 C HIS A 11 -1.412 -17.152 -17.923 1.00 0.00 C ATOM 118 O HIS A 11 -2.374 -16.443 -18.218 1.00 0.00 O ATOM 119 CB HIS A 11 0.979 -16.404 -17.456 1.00 0.00 C ATOM 120 CG HIS A 11 2.367 -16.160 -17.998 1.00 0.00 C ATOM 121 ND1 HIS A 11 2.780 -15.643 -19.190 1.00 0.00 N flip ATOM 122 CD2 HIS A 11 3.514 -16.461 -17.283 1.00 0.00 C flip ATOM 123 CE1 HIS A 11 4.107 -15.628 -19.203 1.00 0.00 C flip ATOM 124 NE2 HIS A 11 4.564 -16.134 -18.022 1.00 0.00 N flip ATOM 0 H HIS A 11 0.185 -14.953 -19.337 1.00 0.00 H new ATOM 0 HA HIS A 11 0.357 -17.803 -18.911 1.00 0.00 H new ATOM 0 HB2 HIS A 11 0.613 -15.486 -16.996 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.035 -17.155 -16.668 1.00 0.00 H new ATOM 0 HD2 HIS A 11 3.547 -16.889 -16.292 1.00 0.00 H new ATOM 0 HE1 HIS A 11 4.724 -15.273 -20.016 1.00 0.00 H new ATOM 0 HE2 HIS A 11 5.542 -16.242 -17.755 1.00 0.00 H new ATOM 132 N MET A 12 -1.470 -18.191 -17.104 1.00 0.00 N ATOM 133 CA MET A 12 -2.720 -18.579 -16.473 1.00 0.00 C ATOM 134 C MET A 12 -2.518 -19.783 -15.550 1.00 0.00 C ATOM 135 O MET A 12 -1.834 -20.739 -15.912 1.00 0.00 O ATOM 136 CB MET A 12 -3.749 -18.928 -17.550 1.00 0.00 C ATOM 137 CG MET A 12 -5.164 -18.565 -17.095 1.00 0.00 C ATOM 138 SD MET A 12 -6.355 -19.125 -18.300 1.00 0.00 S ATOM 139 CE MET A 12 -7.339 -20.212 -17.282 1.00 0.00 C ATOM 0 H MET A 12 -0.671 -18.777 -16.862 1.00 0.00 H new ATOM 0 HA MET A 12 -3.078 -17.742 -15.874 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.512 -18.396 -18.471 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.698 -19.993 -17.775 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.372 -19.021 -16.127 1.00 0.00 H new ATOM 0 HG3 MET A 12 -5.247 -17.486 -16.964 1.00 0.00 H new ATOM 0 HE1 MET A 12 -8.068 -20.732 -17.904 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.691 -20.942 -16.796 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.860 -19.628 -16.523 1.00 0.00 H new ATOM 149 N ASP A 13 -3.126 -19.696 -14.377 1.00 0.00 N ATOM 150 CA ASP A 13 -3.022 -20.767 -13.399 1.00 0.00 C ATOM 151 C ASP A 13 -4.423 -21.282 -13.063 1.00 0.00 C ATOM 152 O ASP A 13 -4.692 -22.477 -13.175 1.00 0.00 O ATOM 153 CB ASP A 13 -2.378 -20.269 -12.104 1.00 0.00 C ATOM 154 CG ASP A 13 -0.958 -19.720 -12.257 1.00 0.00 C ATOM 155 OD1 ASP A 13 -0.306 -20.104 -13.253 1.00 0.00 O ATOM 156 OD2 ASP A 13 -0.557 -18.930 -11.376 1.00 0.00 O ATOM 0 H ASP A 13 -3.692 -18.901 -14.081 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.405 -21.557 -13.828 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.009 -19.489 -11.679 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.359 -21.089 -11.387 1.00 0.00 H new ATOM 161 N ASP A 14 -5.279 -20.355 -12.658 1.00 0.00 N ATOM 162 CA ASP A 14 -6.645 -20.701 -12.304 1.00 0.00 C ATOM 163 C ASP A 14 -7.329 -21.351 -13.508 1.00 0.00 C ATOM 164 O ASP A 14 -7.258 -20.833 -14.622 1.00 0.00 O ATOM 165 CB ASP A 14 -7.446 -19.456 -11.920 1.00 0.00 C ATOM 166 CG ASP A 14 -7.376 -18.305 -12.926 1.00 0.00 C ATOM 167 OD1 ASP A 14 -7.773 -18.542 -14.087 1.00 0.00 O ATOM 168 OD2 ASP A 14 -6.926 -17.215 -12.511 1.00 0.00 O ATOM 0 H ASP A 14 -5.053 -19.365 -12.567 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.612 -21.384 -11.455 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.490 -19.741 -11.789 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.090 -19.097 -10.955 1.00 0.00 H new ATOM 173 N PRO A 15 -7.994 -22.506 -13.237 1.00 0.00 N ATOM 174 CA PRO A 15 -8.691 -23.232 -14.285 1.00 0.00 C ATOM 175 C PRO A 15 -9.996 -22.530 -14.664 1.00 0.00 C ATOM 176 O PRO A 15 -10.594 -22.837 -15.694 1.00 0.00 O ATOM 177 CB PRO A 15 -8.910 -24.626 -13.719 1.00 0.00 C ATOM 178 CG PRO A 15 -8.746 -24.495 -12.214 1.00 0.00 C ATOM 179 CD PRO A 15 -8.100 -23.149 -11.930 1.00 0.00 C ATOM 0 HA PRO A 15 -8.123 -23.278 -15.214 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.902 -24.999 -13.973 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.189 -25.332 -14.130 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.714 -24.566 -11.717 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.128 -25.304 -11.826 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.705 -22.556 -11.245 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.120 -23.270 -11.467 1.00 0.00 H new ATOM 187 N ASP A 16 -10.400 -21.600 -13.811 1.00 0.00 N ATOM 188 CA ASP A 16 -11.623 -20.851 -14.044 1.00 0.00 C ATOM 189 C ASP A 16 -11.690 -19.675 -13.067 1.00 0.00 C ATOM 190 O ASP A 16 -12.730 -19.425 -12.461 1.00 0.00 O ATOM 191 CB ASP A 16 -12.857 -21.726 -13.814 1.00 0.00 C ATOM 192 CG ASP A 16 -13.264 -22.595 -15.006 1.00 0.00 C ATOM 193 OD1 ASP A 16 -12.874 -22.228 -16.135 1.00 0.00 O ATOM 194 OD2 ASP A 16 -13.957 -23.606 -14.761 1.00 0.00 O ATOM 0 H ASP A 16 -9.902 -21.348 -12.957 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.614 -20.504 -15.077 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -12.670 -22.374 -12.958 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -13.696 -21.083 -13.549 1.00 0.00 H new ATOM 199 N ILE A 17 -10.566 -18.984 -12.945 1.00 0.00 N ATOM 200 CA ILE A 17 -10.483 -17.840 -12.053 1.00 0.00 C ATOM 201 C ILE A 17 -10.745 -18.299 -10.617 1.00 0.00 C ATOM 202 O ILE A 17 -11.797 -18.868 -10.326 1.00 0.00 O ATOM 203 CB ILE A 17 -11.420 -16.725 -12.523 1.00 0.00 C ATOM 204 CG1 ILE A 17 -10.868 -16.037 -13.774 1.00 0.00 C ATOM 205 CG2 ILE A 17 -11.695 -15.729 -11.395 1.00 0.00 C ATOM 206 CD1 ILE A 17 -11.952 -15.207 -14.465 1.00 0.00 C ATOM 0 H ILE A 17 -9.705 -19.195 -13.449 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.481 -17.412 -12.074 1.00 0.00 H new ATOM 0 HB ILE A 17 -12.375 -17.173 -12.797 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.031 -15.394 -13.501 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.482 -16.786 -14.465 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.363 -14.947 -11.755 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.161 -16.248 -10.557 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -10.756 -15.282 -11.068 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.534 -14.728 -15.351 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.776 -15.857 -14.758 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.318 -14.443 -13.779 1.00 0.00 H new ATOM 218 N ASP A 18 -9.772 -18.035 -9.758 1.00 0.00 N ATOM 219 CA ASP A 18 -9.884 -18.414 -8.360 1.00 0.00 C ATOM 220 C ASP A 18 -8.595 -18.036 -7.629 1.00 0.00 C ATOM 221 O ASP A 18 -7.922 -18.898 -7.064 1.00 0.00 O ATOM 222 CB ASP A 18 -10.087 -19.923 -8.213 1.00 0.00 C ATOM 223 CG ASP A 18 -8.872 -20.778 -8.580 1.00 0.00 C ATOM 224 OD1 ASP A 18 -8.406 -20.637 -9.731 1.00 0.00 O ATOM 225 OD2 ASP A 18 -8.436 -21.552 -7.701 1.00 0.00 O ATOM 0 H ASP A 18 -8.902 -17.563 -10.003 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.742 -17.892 -7.937 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.365 -20.138 -7.181 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.927 -20.224 -8.839 1.00 0.00 H new ATOM 230 N ALA A 19 -8.288 -16.748 -7.662 1.00 0.00 N ATOM 231 CA ALA A 19 -7.091 -16.246 -7.010 1.00 0.00 C ATOM 232 C ALA A 19 -5.873 -17.010 -7.531 1.00 0.00 C ATOM 233 O ALA A 19 -6.009 -17.922 -8.345 1.00 0.00 O ATOM 234 CB ALA A 19 -7.249 -16.364 -5.492 1.00 0.00 C ATOM 0 H ALA A 19 -8.848 -16.036 -8.131 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.941 -15.191 -7.241 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.351 -15.987 -5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.111 -15.779 -5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.398 -17.409 -5.222 1.00 0.00 H new ATOM 240 N PRO A 20 -4.678 -16.600 -7.027 1.00 0.00 N ATOM 241 CA PRO A 20 -3.436 -17.236 -7.433 1.00 0.00 C ATOM 242 C PRO A 20 -3.282 -18.608 -6.774 1.00 0.00 C ATOM 243 O PRO A 20 -4.261 -19.191 -6.311 1.00 0.00 O ATOM 244 CB PRO A 20 -2.344 -16.258 -7.031 1.00 0.00 C ATOM 245 CG PRO A 20 -2.972 -15.330 -6.004 1.00 0.00 C ATOM 246 CD PRO A 20 -4.479 -15.523 -6.061 1.00 0.00 C ATOM 0 HA PRO A 20 -3.397 -17.438 -8.503 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.486 -16.782 -6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.984 -15.698 -7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.596 -15.555 -5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.712 -14.293 -6.217 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.882 -15.788 -5.083 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.984 -14.610 -6.376 1.00 0.00 H new ATOM 254 N ILE A 21 -2.045 -19.083 -6.753 1.00 0.00 N ATOM 255 CA ILE A 21 -1.751 -20.376 -6.159 1.00 0.00 C ATOM 256 C ILE A 21 -0.417 -20.297 -5.413 1.00 0.00 C ATOM 257 O ILE A 21 0.627 -20.073 -6.024 1.00 0.00 O ATOM 258 CB ILE A 21 -1.798 -21.477 -7.220 1.00 0.00 C ATOM 259 CG1 ILE A 21 -3.047 -21.344 -8.093 1.00 0.00 C ATOM 260 CG2 ILE A 21 -1.691 -22.862 -6.578 1.00 0.00 C ATOM 261 CD1 ILE A 21 -3.027 -22.359 -9.237 1.00 0.00 C ATOM 0 H ILE A 21 -1.236 -18.596 -7.138 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.513 -20.641 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.934 -21.358 -7.874 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.938 -21.495 -7.484 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.105 -20.334 -8.499 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.727 -23.627 -7.354 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.749 -22.940 -6.035 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.521 -23.008 -5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.926 -22.243 -9.842 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.147 -22.190 -9.858 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.993 -23.368 -8.827 1.00 0.00 H new ATOM 273 N SER A 22 -0.495 -20.486 -4.104 1.00 0.00 N ATOM 274 CA SER A 22 0.693 -20.439 -3.269 1.00 0.00 C ATOM 275 C SER A 22 1.352 -19.062 -3.374 1.00 0.00 C ATOM 276 O SER A 22 2.094 -18.795 -4.318 1.00 0.00 O ATOM 277 CB SER A 22 1.686 -21.534 -3.662 1.00 0.00 C ATOM 278 OG SER A 22 2.982 -21.300 -3.118 1.00 0.00 O ATOM 0 H SER A 22 -1.363 -20.672 -3.601 1.00 0.00 H new ATOM 0 HA SER A 22 0.392 -20.613 -2.236 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.317 -22.499 -3.316 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.753 -21.589 -4.749 1.00 0.00 H new ATOM 0 HG SER A 22 3.586 -22.022 -3.390 1.00 0.00 H new ATOM 284 N HIS A 23 1.058 -18.224 -2.390 1.00 0.00 N ATOM 285 CA HIS A 23 1.613 -16.882 -2.360 1.00 0.00 C ATOM 286 C HIS A 23 1.979 -16.510 -0.921 1.00 0.00 C ATOM 287 O HIS A 23 1.110 -16.146 -0.130 1.00 0.00 O ATOM 288 CB HIS A 23 0.650 -15.881 -3.004 1.00 0.00 C ATOM 289 CG HIS A 23 -0.605 -15.633 -2.202 1.00 0.00 C ATOM 290 ND1 HIS A 23 -0.897 -14.671 -1.280 1.00 0.00 N flip ATOM 291 CD2 HIS A 23 -1.732 -16.428 -2.308 1.00 0.00 C flip ATOM 292 CE1 HIS A 23 -2.137 -14.867 -0.848 1.00 0.00 C flip ATOM 293 NE2 HIS A 23 -2.656 -15.957 -1.483 1.00 0.00 N flip ATOM 0 H HIS A 23 0.443 -18.449 -1.608 1.00 0.00 H new ATOM 0 HA HIS A 23 2.528 -16.850 -2.951 1.00 0.00 H new ATOM 0 HB2 HIS A 23 1.170 -14.934 -3.148 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.371 -16.245 -3.993 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -1.841 -17.287 -2.954 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -2.650 -14.263 -0.115 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -3.591 -16.342 -1.347 1.00 0.00 H new ATOM 301 N GLN A 24 3.266 -16.615 -0.626 1.00 0.00 N ATOM 302 CA GLN A 24 3.758 -16.295 0.703 1.00 0.00 C ATOM 303 C GLN A 24 3.875 -14.779 0.874 1.00 0.00 C ATOM 304 O GLN A 24 4.168 -14.063 -0.082 1.00 0.00 O ATOM 305 CB GLN A 24 5.098 -16.982 0.972 1.00 0.00 C ATOM 306 CG GLN A 24 4.917 -18.197 1.885 1.00 0.00 C ATOM 307 CD GLN A 24 6.055 -18.292 2.903 1.00 0.00 C ATOM 308 OE1 GLN A 24 6.974 -19.085 2.773 1.00 0.00 O ATOM 309 NE2 GLN A 24 5.944 -17.442 3.920 1.00 0.00 N ATOM 0 H GLN A 24 3.984 -16.917 -1.285 1.00 0.00 H new ATOM 0 HA GLN A 24 3.042 -16.670 1.434 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.546 -17.295 0.029 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.787 -16.275 1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.963 -18.125 2.407 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.885 -19.106 1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.149 -16.805 3.968 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.654 -17.427 4.652 1.00 0.00 H new ATOM 318 N THR A 25 3.640 -14.334 2.100 1.00 0.00 N ATOM 319 CA THR A 25 3.716 -12.916 2.409 1.00 0.00 C ATOM 320 C THR A 25 2.718 -12.130 1.556 1.00 0.00 C ATOM 321 O THR A 25 2.382 -12.544 0.448 1.00 0.00 O ATOM 322 CB THR A 25 5.166 -12.467 2.216 1.00 0.00 C ATOM 323 OG1 THR A 25 5.868 -13.090 3.287 1.00 0.00 O ATOM 324 CG2 THR A 25 5.353 -10.970 2.468 1.00 0.00 C ATOM 0 H THR A 25 3.397 -14.930 2.891 1.00 0.00 H new ATOM 0 HA THR A 25 3.435 -12.721 3.444 1.00 0.00 H new ATOM 0 HB THR A 25 5.489 -12.708 1.203 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.818 -12.853 3.237 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.399 -10.704 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.731 -10.404 1.775 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.062 -10.734 3.492 1.00 0.00 H new ATOM 332 N SER A 26 2.271 -11.011 2.107 1.00 0.00 N ATOM 333 CA SER A 26 1.318 -10.164 1.411 1.00 0.00 C ATOM 334 C SER A 26 2.047 -9.276 0.400 1.00 0.00 C ATOM 335 O SER A 26 2.610 -8.246 0.765 1.00 0.00 O ATOM 336 CB SER A 26 0.524 -9.304 2.396 1.00 0.00 C ATOM 337 OG SER A 26 1.364 -8.416 3.128 1.00 0.00 O ATOM 0 H SER A 26 2.551 -10.672 3.027 1.00 0.00 H new ATOM 0 HA SER A 26 0.614 -10.806 0.881 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.225 -8.729 1.852 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.013 -9.950 3.091 1.00 0.00 H new ATOM 0 HG SER A 26 2.059 -8.061 2.536 1.00 0.00 H new ATOM 343 N ASP A 27 2.013 -9.709 -0.852 1.00 0.00 N ATOM 344 CA ASP A 27 2.664 -8.967 -1.918 1.00 0.00 C ATOM 345 C ASP A 27 2.133 -7.532 -1.933 1.00 0.00 C ATOM 346 O ASP A 27 2.769 -6.637 -2.487 1.00 0.00 O ATOM 347 CB ASP A 27 2.371 -9.593 -3.284 1.00 0.00 C ATOM 348 CG ASP A 27 3.058 -8.911 -4.468 1.00 0.00 C ATOM 349 OD1 ASP A 27 4.015 -8.150 -4.208 1.00 0.00 O ATOM 350 OD2 ASP A 27 2.612 -9.167 -5.607 1.00 0.00 O ATOM 0 H ASP A 27 1.545 -10.564 -1.152 1.00 0.00 H new ATOM 0 HA ASP A 27 3.738 -8.987 -1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.675 -10.639 -3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.294 -9.578 -3.450 1.00 0.00 H new ATOM 355 N ILE A 28 0.973 -7.358 -1.316 1.00 0.00 N ATOM 356 CA ILE A 28 0.350 -6.047 -1.251 1.00 0.00 C ATOM 357 C ILE A 28 1.248 -5.099 -0.455 1.00 0.00 C ATOM 358 O ILE A 28 1.220 -5.098 0.775 1.00 0.00 O ATOM 359 CB ILE A 28 -1.072 -6.157 -0.697 1.00 0.00 C ATOM 360 CG1 ILE A 28 -1.941 -7.045 -1.590 1.00 0.00 C ATOM 361 CG2 ILE A 28 -1.689 -4.772 -0.492 1.00 0.00 C ATOM 362 CD1 ILE A 28 -2.835 -7.960 -0.750 1.00 0.00 C ATOM 0 H ILE A 28 0.449 -8.103 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 28 0.247 -5.624 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.022 -6.635 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.558 -6.422 -2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.305 -7.648 -2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.700 -4.879 -0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.082 -4.204 0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.725 -4.245 -1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.442 -8.580 -1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.214 -8.598 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.486 -7.354 -0.120 1.00 0.00 H new ATOM 374 N ASP A 29 2.024 -4.315 -1.189 1.00 0.00 N ATOM 375 CA ASP A 29 2.930 -3.364 -0.566 1.00 0.00 C ATOM 376 C ASP A 29 2.124 -2.386 0.293 1.00 0.00 C ATOM 377 O ASP A 29 1.135 -1.819 -0.169 1.00 0.00 O ATOM 378 CB ASP A 29 3.687 -2.554 -1.620 1.00 0.00 C ATOM 379 CG ASP A 29 4.179 -3.359 -2.824 1.00 0.00 C ATOM 380 OD1 ASP A 29 5.256 -3.979 -2.691 1.00 0.00 O ATOM 381 OD2 ASP A 29 3.467 -3.336 -3.851 1.00 0.00 O ATOM 0 H ASP A 29 2.044 -4.319 -2.209 1.00 0.00 H new ATOM 0 HA ASP A 29 3.643 -3.924 0.040 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.038 -1.755 -1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.545 -2.079 -1.144 1.00 0.00 H new ATOM 386 N GLN A 30 2.578 -2.219 1.526 1.00 0.00 N ATOM 387 CA GLN A 30 1.912 -1.320 2.453 1.00 0.00 C ATOM 388 C GLN A 30 1.917 0.108 1.904 1.00 0.00 C ATOM 389 O GLN A 30 0.969 0.862 2.117 1.00 0.00 O ATOM 390 CB GLN A 30 2.564 -1.377 3.836 1.00 0.00 C ATOM 391 CG GLN A 30 1.807 -0.501 4.836 1.00 0.00 C ATOM 392 CD GLN A 30 0.667 -1.281 5.496 1.00 0.00 C ATOM 393 OE1 GLN A 30 0.861 -2.045 6.427 1.00 0.00 O ATOM 394 NE2 GLN A 30 -0.528 -1.047 4.962 1.00 0.00 N ATOM 0 H GLN A 30 3.399 -2.691 1.905 1.00 0.00 H new ATOM 0 HA GLN A 30 0.877 -1.643 2.561 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.582 -2.407 4.191 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.600 -1.045 3.768 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.494 -0.138 5.600 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.406 0.375 4.327 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.620 -0.395 4.183 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.353 -1.520 5.331 1.00 0.00 H new ATOM 403 N SER A 31 2.995 0.436 1.207 1.00 0.00 N ATOM 404 CA SER A 31 3.136 1.760 0.625 1.00 0.00 C ATOM 405 C SER A 31 2.081 1.968 -0.464 1.00 0.00 C ATOM 406 O SER A 31 1.570 3.074 -0.635 1.00 0.00 O ATOM 407 CB SER A 31 4.539 1.964 0.051 1.00 0.00 C ATOM 408 OG SER A 31 5.155 3.146 0.553 1.00 0.00 O ATOM 0 H SER A 31 3.779 -0.192 1.032 1.00 0.00 H new ATOM 0 HA SER A 31 2.986 2.497 1.413 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.159 1.101 0.294 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.481 2.019 -1.036 1.00 0.00 H new ATOM 0 HG SER A 31 6.050 3.239 0.164 1.00 0.00 H new ATOM 414 N SER A 32 1.786 0.888 -1.172 1.00 0.00 N ATOM 415 CA SER A 32 0.802 0.938 -2.239 1.00 0.00 C ATOM 416 C SER A 32 -0.575 1.275 -1.665 1.00 0.00 C ATOM 417 O SER A 32 -1.226 2.217 -2.116 1.00 0.00 O ATOM 418 CB SER A 32 0.749 -0.388 -3.002 1.00 0.00 C ATOM 419 OG SER A 32 1.999 -0.706 -3.607 1.00 0.00 O ATOM 0 H SER A 32 2.212 -0.028 -1.027 1.00 0.00 H new ATOM 0 HA SER A 32 1.097 1.718 -2.940 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.463 -1.188 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.022 -0.334 -3.770 1.00 0.00 H new ATOM 0 HG SER A 32 1.920 -1.552 -4.096 1.00 0.00 H new ATOM 425 N VAL A 33 -0.980 0.488 -0.679 1.00 0.00 N ATOM 426 CA VAL A 33 -2.268 0.692 -0.039 1.00 0.00 C ATOM 427 C VAL A 33 -2.441 2.177 0.287 1.00 0.00 C ATOM 428 O VAL A 33 -3.540 2.717 0.170 1.00 0.00 O ATOM 429 CB VAL A 33 -2.389 -0.209 1.191 1.00 0.00 C ATOM 430 CG1 VAL A 33 -3.672 0.094 1.968 1.00 0.00 C ATOM 431 CG2 VAL A 33 -2.322 -1.686 0.799 1.00 0.00 C ATOM 0 H VAL A 33 -0.438 -0.292 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.078 0.411 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.543 0.002 1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.734 -0.560 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.662 1.133 2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.536 -0.075 1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.410 -2.304 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.138 -1.918 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.369 -1.890 0.310 1.00 0.00 H new ATOM 441 N ASP A 34 -1.340 2.794 0.689 1.00 0.00 N ATOM 442 CA ASP A 34 -1.357 4.205 1.034 1.00 0.00 C ATOM 443 C ASP A 34 -1.469 5.036 -0.246 1.00 0.00 C ATOM 444 O ASP A 34 -2.137 6.069 -0.263 1.00 0.00 O ATOM 445 CB ASP A 34 -0.068 4.613 1.750 1.00 0.00 C ATOM 446 CG ASP A 34 -0.047 6.049 2.278 1.00 0.00 C ATOM 447 OD1 ASP A 34 -1.085 6.727 2.119 1.00 0.00 O ATOM 448 OD2 ASP A 34 1.006 6.436 2.828 1.00 0.00 O ATOM 0 H ASP A 34 -0.430 2.343 0.784 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.207 4.381 1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.097 3.932 2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.768 4.482 1.063 1.00 0.00 H new ATOM 453 N THR A 35 -0.806 4.555 -1.287 1.00 0.00 N ATOM 454 CA THR A 35 -0.823 5.240 -2.568 1.00 0.00 C ATOM 455 C THR A 35 -2.259 5.388 -3.074 1.00 0.00 C ATOM 456 O THR A 35 -2.556 6.292 -3.854 1.00 0.00 O ATOM 457 CB THR A 35 0.084 4.470 -3.529 1.00 0.00 C ATOM 458 OG1 THR A 35 1.375 4.553 -2.930 1.00 0.00 O ATOM 459 CG2 THR A 35 0.251 5.180 -4.874 1.00 0.00 C ATOM 0 H THR A 35 -0.253 3.698 -1.269 1.00 0.00 H new ATOM 0 HA THR A 35 -0.437 6.255 -2.479 1.00 0.00 H new ATOM 0 HB THR A 35 -0.326 3.473 -3.694 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.428 3.925 -2.179 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.904 4.591 -5.518 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.723 5.292 -5.350 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.691 6.164 -4.714 1.00 0.00 H new ATOM 467 N LEU A 36 -3.112 4.486 -2.611 1.00 0.00 N ATOM 468 CA LEU A 36 -4.509 4.505 -3.007 1.00 0.00 C ATOM 469 C LEU A 36 -5.326 5.248 -1.948 1.00 0.00 C ATOM 470 O LEU A 36 -6.438 5.698 -2.219 1.00 0.00 O ATOM 471 CB LEU A 36 -5.007 3.084 -3.282 1.00 0.00 C ATOM 472 CG LEU A 36 -4.615 2.487 -4.635 1.00 0.00 C ATOM 473 CD1 LEU A 36 -4.570 0.959 -4.567 1.00 0.00 C ATOM 474 CD2 LEU A 36 -5.545 2.984 -5.744 1.00 0.00 C ATOM 0 H LEU A 36 -2.862 3.737 -1.965 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.631 5.049 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.631 2.430 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.094 3.080 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.610 2.829 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.289 0.560 -5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.836 0.649 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.553 0.578 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.244 2.545 -6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.570 2.692 -5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.484 4.070 -5.811 1.00 0.00 H new ATOM 486 N LEU A 37 -4.742 5.354 -0.763 1.00 0.00 N ATOM 487 CA LEU A 37 -5.401 6.035 0.338 1.00 0.00 C ATOM 488 C LEU A 37 -5.615 7.504 -0.031 1.00 0.00 C ATOM 489 O LEU A 37 -6.656 8.080 0.280 1.00 0.00 O ATOM 490 CB LEU A 37 -4.618 5.835 1.637 1.00 0.00 C ATOM 491 CG LEU A 37 -4.883 4.527 2.386 1.00 0.00 C ATOM 492 CD1 LEU A 37 -3.828 4.292 3.469 1.00 0.00 C ATOM 493 CD2 LEU A 37 -6.304 4.498 2.953 1.00 0.00 C ATOM 0 H LEU A 37 -3.819 4.979 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.386 5.604 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.554 5.890 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.844 6.666 2.306 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.803 3.704 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.040 3.356 3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.841 4.238 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.851 5.115 4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.466 3.558 3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.437 5.330 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.023 4.586 2.138 1.00 0.00 H new ATOM 505 N SER A 38 -4.613 8.067 -0.689 1.00 0.00 N ATOM 506 CA SER A 38 -4.678 9.458 -1.104 1.00 0.00 C ATOM 507 C SER A 38 -5.607 9.601 -2.312 1.00 0.00 C ATOM 508 O SER A 38 -6.452 10.494 -2.347 1.00 0.00 O ATOM 509 CB SER A 38 -3.287 10.000 -1.438 1.00 0.00 C ATOM 510 OG SER A 38 -3.115 11.343 -0.994 1.00 0.00 O ATOM 0 H SER A 38 -3.751 7.585 -0.945 1.00 0.00 H new ATOM 0 HA SER A 38 -5.076 10.043 -0.275 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.531 9.366 -0.976 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.128 9.952 -2.515 1.00 0.00 H new ATOM 0 HG SER A 38 -2.214 11.651 -1.225 1.00 0.00 H new ATOM 516 N PHE A 39 -5.419 8.708 -3.272 1.00 0.00 N ATOM 517 CA PHE A 39 -6.229 8.723 -4.478 1.00 0.00 C ATOM 518 C PHE A 39 -7.700 8.982 -4.146 1.00 0.00 C ATOM 519 O PHE A 39 -8.326 9.864 -4.732 1.00 0.00 O ATOM 520 CB PHE A 39 -6.099 7.341 -5.121 1.00 0.00 C ATOM 521 CG PHE A 39 -4.943 7.224 -6.116 1.00 0.00 C ATOM 522 CD1 PHE A 39 -3.702 7.662 -5.771 1.00 0.00 C ATOM 523 CD2 PHE A 39 -5.155 6.683 -7.346 1.00 0.00 C ATOM 524 CE1 PHE A 39 -2.629 7.553 -6.695 1.00 0.00 C ATOM 525 CE2 PHE A 39 -4.082 6.574 -8.269 1.00 0.00 C ATOM 526 CZ PHE A 39 -2.841 7.012 -7.924 1.00 0.00 C ATOM 0 H PHE A 39 -4.717 7.969 -3.239 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.890 9.515 -5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.965 6.597 -4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.031 7.100 -5.633 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.533 8.092 -4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.140 6.336 -7.620 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.644 7.900 -6.421 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.251 6.143 -9.245 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.025 6.930 -8.626 1.00 0.00 H new ATOM 536 N GLY A 40 -8.209 8.197 -3.208 1.00 0.00 N ATOM 537 CA GLY A 40 -9.595 8.331 -2.792 1.00 0.00 C ATOM 538 C GLY A 40 -10.257 6.959 -2.642 1.00 0.00 C ATOM 539 O GLY A 40 -11.248 6.668 -3.310 1.00 0.00 O ATOM 0 H GLY A 40 -7.687 7.466 -2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.644 8.868 -1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.142 8.925 -3.524 1.00 0.00 H new ATOM 543 N PHE A 41 -9.682 6.153 -1.762 1.00 0.00 N ATOM 544 CA PHE A 41 -10.204 4.820 -1.516 1.00 0.00 C ATOM 545 C PHE A 41 -9.955 4.392 -0.068 1.00 0.00 C ATOM 546 O PHE A 41 -9.123 4.979 0.622 1.00 0.00 O ATOM 547 CB PHE A 41 -9.457 3.868 -2.452 1.00 0.00 C ATOM 548 CG PHE A 41 -9.423 4.328 -3.910 1.00 0.00 C ATOM 549 CD1 PHE A 41 -10.583 4.467 -4.607 1.00 0.00 C ATOM 550 CD2 PHE A 41 -8.233 4.599 -4.510 1.00 0.00 C ATOM 551 CE1 PHE A 41 -10.552 4.895 -5.960 1.00 0.00 C ATOM 552 CE2 PHE A 41 -8.202 5.027 -5.864 1.00 0.00 C ATOM 553 CZ PHE A 41 -9.361 5.166 -6.560 1.00 0.00 C ATOM 0 H PHE A 41 -8.860 6.398 -1.210 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.280 4.803 -1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -8.434 3.752 -2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.925 2.885 -2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.528 4.252 -4.131 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.312 4.489 -3.957 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.473 5.006 -6.513 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.257 5.242 -6.341 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.337 5.492 -7.589 1.00 0.00 H new ATOM 563 N ALA A 42 -10.692 3.373 0.349 1.00 0.00 N ATOM 564 CA ALA A 42 -10.561 2.860 1.703 1.00 0.00 C ATOM 565 C ALA A 42 -9.344 1.936 1.778 1.00 0.00 C ATOM 566 O ALA A 42 -9.094 1.156 0.860 1.00 0.00 O ATOM 567 CB ALA A 42 -11.856 2.153 2.108 1.00 0.00 C ATOM 0 H ALA A 42 -11.381 2.889 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.400 3.675 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.758 1.768 3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.685 2.860 2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.049 1.327 1.424 1.00 0.00 H new ATOM 573 N GLU A 43 -8.619 2.054 2.881 1.00 0.00 N ATOM 574 CA GLU A 43 -7.434 1.238 3.088 1.00 0.00 C ATOM 575 C GLU A 43 -7.751 -0.235 2.826 1.00 0.00 C ATOM 576 O GLU A 43 -6.908 -0.976 2.322 1.00 0.00 O ATOM 577 CB GLU A 43 -6.872 1.437 4.497 1.00 0.00 C ATOM 578 CG GLU A 43 -5.631 0.570 4.719 1.00 0.00 C ATOM 579 CD GLU A 43 -5.798 -0.323 5.950 1.00 0.00 C ATOM 580 OE1 GLU A 43 -6.902 -0.892 6.092 1.00 0.00 O ATOM 581 OE2 GLU A 43 -4.819 -0.415 6.721 1.00 0.00 O ATOM 0 H GLU A 43 -8.829 2.702 3.640 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.669 1.555 2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.618 2.487 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.633 1.185 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.453 -0.048 3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.756 1.207 4.844 1.00 0.00 H new ATOM 588 N ASP A 44 -8.970 -0.617 3.181 1.00 0.00 N ATOM 589 CA ASP A 44 -9.409 -1.989 2.991 1.00 0.00 C ATOM 590 C ASP A 44 -9.442 -2.307 1.494 1.00 0.00 C ATOM 591 O ASP A 44 -8.835 -3.280 1.049 1.00 0.00 O ATOM 592 CB ASP A 44 -10.817 -2.200 3.550 1.00 0.00 C ATOM 593 CG ASP A 44 -11.777 -1.027 3.341 1.00 0.00 C ATOM 594 OD1 ASP A 44 -12.224 -0.858 2.186 1.00 0.00 O ATOM 595 OD2 ASP A 44 -12.043 -0.326 4.341 1.00 0.00 O ATOM 0 H ASP A 44 -9.667 -0.000 3.599 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.711 -2.641 3.516 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.246 -3.089 3.087 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.741 -2.402 4.618 1.00 0.00 H new ATOM 600 N VAL A 45 -10.158 -1.468 0.760 1.00 0.00 N ATOM 601 CA VAL A 45 -10.278 -1.647 -0.677 1.00 0.00 C ATOM 602 C VAL A 45 -8.898 -1.507 -1.322 1.00 0.00 C ATOM 603 O VAL A 45 -8.593 -2.189 -2.299 1.00 0.00 O ATOM 604 CB VAL A 45 -11.305 -0.664 -1.243 1.00 0.00 C ATOM 605 CG1 VAL A 45 -11.053 -0.403 -2.729 1.00 0.00 C ATOM 606 CG2 VAL A 45 -12.731 -1.165 -1.008 1.00 0.00 C ATOM 0 H VAL A 45 -10.661 -0.663 1.133 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.644 -2.648 -0.907 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.191 0.282 -0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.797 0.299 -3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.057 0.019 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.126 -1.340 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.441 -0.448 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.863 -2.129 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.906 -1.275 0.062 1.00 0.00 H new ATOM 616 N ALA A 46 -8.100 -0.618 -0.749 1.00 0.00 N ATOM 617 CA ALA A 46 -6.759 -0.379 -1.256 1.00 0.00 C ATOM 618 C ALA A 46 -5.969 -1.689 -1.231 1.00 0.00 C ATOM 619 O ALA A 46 -5.106 -1.913 -2.079 1.00 0.00 O ATOM 620 CB ALA A 46 -6.089 0.721 -0.430 1.00 0.00 C ATOM 0 H ALA A 46 -8.356 -0.054 0.062 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.795 -0.034 -2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.083 0.900 -0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.673 1.638 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.032 0.409 0.613 1.00 0.00 H new ATOM 626 N ARG A 47 -6.292 -2.520 -0.251 1.00 0.00 N ATOM 627 CA ARG A 47 -5.623 -3.802 -0.106 1.00 0.00 C ATOM 628 C ARG A 47 -6.327 -4.866 -0.950 1.00 0.00 C ATOM 629 O ARG A 47 -5.690 -5.802 -1.432 1.00 0.00 O ATOM 630 CB ARG A 47 -5.605 -4.250 1.357 1.00 0.00 C ATOM 631 CG ARG A 47 -4.175 -4.517 1.831 1.00 0.00 C ATOM 632 CD ARG A 47 -4.131 -4.738 3.344 1.00 0.00 C ATOM 633 NE ARG A 47 -2.968 -5.581 3.699 1.00 0.00 N ATOM 634 CZ ARG A 47 -2.864 -6.883 3.398 1.00 0.00 C ATOM 635 NH1 ARG A 47 -3.853 -7.498 2.735 1.00 0.00 N ATOM 636 NH2 ARG A 47 -1.772 -7.569 3.760 1.00 0.00 N ATOM 0 H ARG A 47 -7.008 -2.331 0.450 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.596 -3.682 -0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.062 -3.482 1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.205 -5.153 1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.777 -5.394 1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.536 -3.675 1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.066 -3.779 3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.052 -5.216 3.677 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.197 -5.144 4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.684 -6.975 2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.774 -8.489 2.506 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.020 -7.101 4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.693 -8.560 3.531 1.00 0.00 H new ATOM 650 N LYS A 48 -7.630 -4.688 -1.104 1.00 0.00 N ATOM 651 CA LYS A 48 -8.427 -5.621 -1.882 1.00 0.00 C ATOM 652 C LYS A 48 -8.049 -5.500 -3.359 1.00 0.00 C ATOM 653 O LYS A 48 -7.901 -6.506 -4.051 1.00 0.00 O ATOM 654 CB LYS A 48 -9.918 -5.411 -1.609 1.00 0.00 C ATOM 655 CG LYS A 48 -10.260 -5.736 -0.153 1.00 0.00 C ATOM 656 CD LYS A 48 -11.613 -6.443 -0.052 1.00 0.00 C ATOM 657 CE LYS A 48 -12.757 -5.430 0.008 1.00 0.00 C ATOM 658 NZ LYS A 48 -13.363 -5.411 1.358 1.00 0.00 N ATOM 0 H LYS A 48 -8.155 -3.911 -0.703 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.214 -6.647 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.190 -4.378 -1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.506 -6.043 -2.274 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.482 -6.369 0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.281 -4.817 0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.749 -7.100 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.633 -7.073 0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.385 -4.437 -0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.515 -5.684 -0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.138 -4.718 1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.736 -6.355 1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.641 -5.147 2.059 1.00 0.00 H new ATOM 672 N ALA A 49 -7.905 -4.258 -3.800 1.00 0.00 N ATOM 673 CA ALA A 49 -7.547 -3.992 -5.183 1.00 0.00 C ATOM 674 C ALA A 49 -6.115 -4.468 -5.436 1.00 0.00 C ATOM 675 O ALA A 49 -5.830 -5.064 -6.473 1.00 0.00 O ATOM 676 CB ALA A 49 -7.727 -2.502 -5.479 1.00 0.00 C ATOM 0 H ALA A 49 -8.030 -3.426 -3.224 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.201 -4.541 -5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.459 -2.302 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.767 -2.221 -5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.084 -1.920 -4.819 1.00 0.00 H new ATOM 682 N LEU A 50 -5.253 -4.187 -4.470 1.00 0.00 N ATOM 683 CA LEU A 50 -3.858 -4.578 -4.575 1.00 0.00 C ATOM 684 C LEU A 50 -3.733 -6.080 -4.308 1.00 0.00 C ATOM 685 O LEU A 50 -2.648 -6.647 -4.428 1.00 0.00 O ATOM 686 CB LEU A 50 -2.988 -3.716 -3.658 1.00 0.00 C ATOM 687 CG LEU A 50 -3.056 -2.206 -3.895 1.00 0.00 C ATOM 688 CD1 LEU A 50 -2.616 -1.435 -2.649 1.00 0.00 C ATOM 689 CD2 LEU A 50 -2.245 -1.808 -5.131 1.00 0.00 C ATOM 0 H LEU A 50 -5.494 -3.693 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.488 -4.401 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.275 -3.915 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.952 -4.035 -3.768 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.094 -1.937 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.674 -0.364 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.271 -1.687 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.590 -1.703 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.310 -0.730 -5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.202 -2.093 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.644 -2.318 -6.008 1.00 0.00 H new ATOM 701 N LYS A 51 -4.858 -6.680 -3.950 1.00 0.00 N ATOM 702 CA LYS A 51 -4.888 -8.105 -3.664 1.00 0.00 C ATOM 703 C LYS A 51 -5.146 -8.875 -4.961 1.00 0.00 C ATOM 704 O LYS A 51 -4.561 -9.933 -5.186 1.00 0.00 O ATOM 705 CB LYS A 51 -5.899 -8.408 -2.557 1.00 0.00 C ATOM 706 CG LYS A 51 -6.469 -9.820 -2.707 1.00 0.00 C ATOM 707 CD LYS A 51 -6.943 -10.366 -1.358 1.00 0.00 C ATOM 708 CE LYS A 51 -5.789 -11.018 -0.595 1.00 0.00 C ATOM 709 NZ LYS A 51 -6.051 -10.992 0.862 1.00 0.00 N ATOM 0 H LYS A 51 -5.756 -6.206 -3.851 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.923 -8.438 -3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.419 -8.307 -1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.709 -7.679 -2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.301 -9.807 -3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.709 -10.481 -3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.366 -9.557 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.738 -11.095 -1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.660 -12.048 -0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.859 -10.493 -0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.258 -11.438 1.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.152 -10.007 1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.928 -11.513 1.066 1.00 0.00 H new ATOM 723 N ALA A 52 -6.024 -8.314 -5.780 1.00 0.00 N ATOM 724 CA ALA A 52 -6.367 -8.935 -7.048 1.00 0.00 C ATOM 725 C ALA A 52 -5.389 -8.460 -8.125 1.00 0.00 C ATOM 726 O ALA A 52 -4.976 -9.240 -8.981 1.00 0.00 O ATOM 727 CB ALA A 52 -7.821 -8.613 -7.398 1.00 0.00 C ATOM 0 H ALA A 52 -6.508 -7.436 -5.590 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.281 -10.019 -6.980 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.078 -9.079 -8.349 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.477 -8.997 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.945 -7.533 -7.478 1.00 0.00 H new ATOM 733 N SER A 53 -5.048 -7.182 -8.046 1.00 0.00 N ATOM 734 CA SER A 53 -4.127 -6.593 -9.004 1.00 0.00 C ATOM 735 C SER A 53 -2.704 -7.084 -8.731 1.00 0.00 C ATOM 736 O SER A 53 -2.061 -7.654 -9.612 1.00 0.00 O ATOM 737 CB SER A 53 -4.180 -5.065 -8.950 1.00 0.00 C ATOM 738 OG SER A 53 -5.512 -4.581 -8.799 1.00 0.00 O ATOM 0 H SER A 53 -5.393 -6.538 -7.334 1.00 0.00 H new ATOM 0 HA SER A 53 -4.427 -6.905 -10.004 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.569 -4.710 -8.120 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.747 -4.655 -9.862 1.00 0.00 H new ATOM 0 HG SER A 53 -5.725 -4.501 -7.846 1.00 0.00 H new ATOM 744 N GLY A 54 -2.254 -6.846 -7.508 1.00 0.00 N ATOM 745 CA GLY A 54 -0.919 -7.258 -7.109 1.00 0.00 C ATOM 746 C GLY A 54 0.056 -6.079 -7.157 1.00 0.00 C ATOM 747 O GLY A 54 0.944 -6.038 -8.007 1.00 0.00 O ATOM 0 H GLY A 54 -2.790 -6.373 -6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.948 -7.670 -6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.568 -8.052 -7.768 1.00 0.00 H new ATOM 751 N GLY A 55 -0.144 -5.149 -6.235 1.00 0.00 N ATOM 752 CA GLY A 55 0.706 -3.973 -6.162 1.00 0.00 C ATOM 753 C GLY A 55 0.299 -2.936 -7.211 1.00 0.00 C ATOM 754 O GLY A 55 0.083 -1.770 -6.885 1.00 0.00 O ATOM 0 H GLY A 55 -0.882 -5.186 -5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.640 -3.534 -5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.746 -4.262 -6.315 1.00 0.00 H new ATOM 758 N ASP A 56 0.206 -3.399 -8.449 1.00 0.00 N ATOM 759 CA ASP A 56 -0.172 -2.526 -9.547 1.00 0.00 C ATOM 760 C ASP A 56 -1.280 -1.579 -9.083 1.00 0.00 C ATOM 761 O ASP A 56 -2.410 -2.007 -8.851 1.00 0.00 O ATOM 762 CB ASP A 56 -0.705 -3.332 -10.733 1.00 0.00 C ATOM 763 CG ASP A 56 0.323 -4.238 -11.414 1.00 0.00 C ATOM 764 OD1 ASP A 56 1.411 -3.716 -11.741 1.00 0.00 O ATOM 765 OD2 ASP A 56 -0.002 -5.431 -11.593 1.00 0.00 O ATOM 0 H ASP A 56 0.386 -4.367 -8.716 1.00 0.00 H new ATOM 0 HA ASP A 56 0.714 -1.971 -9.856 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.538 -3.946 -10.391 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.104 -2.639 -11.474 1.00 0.00 H new ATOM 770 N ILE A 57 -0.918 -0.310 -8.961 1.00 0.00 N ATOM 771 CA ILE A 57 -1.868 0.701 -8.528 1.00 0.00 C ATOM 772 C ILE A 57 -2.906 0.924 -9.630 1.00 0.00 C ATOM 773 O ILE A 57 -4.107 0.806 -9.389 1.00 0.00 O ATOM 774 CB ILE A 57 -1.137 1.976 -8.105 1.00 0.00 C ATOM 775 CG1 ILE A 57 -0.225 1.713 -6.905 1.00 0.00 C ATOM 776 CG2 ILE A 57 -2.127 3.111 -7.835 1.00 0.00 C ATOM 777 CD1 ILE A 57 -1.039 1.293 -5.679 1.00 0.00 C ATOM 0 H ILE A 57 0.020 0.041 -9.154 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.408 0.363 -7.644 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.499 2.294 -8.930 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.493 0.932 -7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.348 2.611 -6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.582 4.006 -7.536 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.698 3.319 -8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.808 2.817 -7.036 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.367 1.112 -4.840 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.739 2.086 -5.418 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.592 0.381 -5.904 1.00 0.00 H new ATOM 789 N GLU A 58 -2.406 1.242 -10.815 1.00 0.00 N ATOM 790 CA GLU A 58 -3.275 1.482 -11.954 1.00 0.00 C ATOM 791 C GLU A 58 -4.350 0.398 -12.039 1.00 0.00 C ATOM 792 O GLU A 58 -5.520 0.695 -12.277 1.00 0.00 O ATOM 793 CB GLU A 58 -2.469 1.559 -13.252 1.00 0.00 C ATOM 794 CG GLU A 58 -1.772 2.914 -13.386 1.00 0.00 C ATOM 795 CD GLU A 58 -0.290 2.738 -13.726 1.00 0.00 C ATOM 796 OE1 GLU A 58 0.494 2.555 -12.770 1.00 0.00 O ATOM 797 OE2 GLU A 58 0.025 2.790 -14.934 1.00 0.00 O ATOM 0 H GLU A 58 -1.410 1.339 -11.011 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.768 2.444 -11.814 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.727 0.761 -13.271 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.130 1.400 -14.104 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.260 3.502 -14.163 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.871 3.472 -12.455 1.00 0.00 H new ATOM 804 N LYS A 59 -3.916 -0.839 -11.841 1.00 0.00 N ATOM 805 CA LYS A 59 -4.827 -1.969 -11.893 1.00 0.00 C ATOM 806 C LYS A 59 -5.765 -1.918 -10.686 1.00 0.00 C ATOM 807 O LYS A 59 -6.976 -2.082 -10.829 1.00 0.00 O ATOM 808 CB LYS A 59 -4.048 -3.280 -12.011 1.00 0.00 C ATOM 809 CG LYS A 59 -3.743 -3.607 -13.475 1.00 0.00 C ATOM 810 CD LYS A 59 -2.584 -4.600 -13.585 1.00 0.00 C ATOM 811 CE LYS A 59 -2.881 -5.675 -14.632 1.00 0.00 C ATOM 812 NZ LYS A 59 -3.580 -6.823 -14.013 1.00 0.00 N ATOM 0 H LYS A 59 -2.945 -1.083 -11.644 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.451 -1.914 -12.785 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.117 -3.206 -11.450 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.624 -4.091 -11.566 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.631 -4.024 -13.951 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.494 -2.691 -14.012 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.670 -4.070 -13.852 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.409 -5.069 -12.617 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.495 -5.255 -15.429 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.951 -6.012 -15.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.774 -7.543 -14.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.981 -7.234 -13.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.477 -6.500 -13.597 1.00 0.00 H new ATOM 826 N ALA A 60 -5.171 -1.691 -9.524 1.00 0.00 N ATOM 827 CA ALA A 60 -5.938 -1.616 -8.292 1.00 0.00 C ATOM 828 C ALA A 60 -7.025 -0.549 -8.438 1.00 0.00 C ATOM 829 O ALA A 60 -8.158 -0.750 -8.003 1.00 0.00 O ATOM 830 CB ALA A 60 -4.997 -1.333 -7.120 1.00 0.00 C ATOM 0 H ALA A 60 -4.166 -1.556 -9.409 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.433 -2.566 -8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.573 -1.277 -6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.262 -2.134 -7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.484 -0.386 -7.286 1.00 0.00 H new ATOM 836 N THR A 61 -6.642 0.561 -9.050 1.00 0.00 N ATOM 837 CA THR A 61 -7.570 1.660 -9.258 1.00 0.00 C ATOM 838 C THR A 61 -8.771 1.194 -10.083 1.00 0.00 C ATOM 839 O THR A 61 -9.873 1.720 -9.934 1.00 0.00 O ATOM 840 CB THR A 61 -6.799 2.813 -9.904 1.00 0.00 C ATOM 841 OG1 THR A 61 -5.766 3.108 -8.968 1.00 0.00 O ATOM 842 CG2 THR A 61 -7.621 4.102 -9.970 1.00 0.00 C ATOM 0 H THR A 61 -5.701 0.724 -9.409 1.00 0.00 H new ATOM 0 HA THR A 61 -7.982 2.015 -8.313 1.00 0.00 H new ATOM 0 HB THR A 61 -6.492 2.526 -10.910 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.021 2.485 -9.096 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.028 4.888 -10.437 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.522 3.929 -10.559 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.900 4.408 -8.962 1.00 0.00 H new ATOM 850 N ASP A 62 -8.518 0.212 -10.936 1.00 0.00 N ATOM 851 CA ASP A 62 -9.565 -0.330 -11.786 1.00 0.00 C ATOM 852 C ASP A 62 -10.387 -1.345 -10.989 1.00 0.00 C ATOM 853 O ASP A 62 -11.615 -1.272 -10.964 1.00 0.00 O ATOM 854 CB ASP A 62 -8.972 -1.050 -12.999 1.00 0.00 C ATOM 855 CG ASP A 62 -9.975 -1.388 -14.103 1.00 0.00 C ATOM 856 OD1 ASP A 62 -10.910 -0.579 -14.289 1.00 0.00 O ATOM 857 OD2 ASP A 62 -9.785 -2.448 -14.737 1.00 0.00 O ATOM 0 H ASP A 62 -7.603 -0.222 -11.057 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.186 0.498 -12.127 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.184 -0.428 -13.423 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.502 -1.973 -12.661 1.00 0.00 H new ATOM 862 N TRP A 63 -9.677 -2.268 -10.356 1.00 0.00 N ATOM 863 CA TRP A 63 -10.326 -3.296 -9.561 1.00 0.00 C ATOM 864 C TRP A 63 -11.415 -2.626 -8.720 1.00 0.00 C ATOM 865 O TRP A 63 -12.556 -3.083 -8.698 1.00 0.00 O ATOM 866 CB TRP A 63 -9.305 -4.062 -8.717 1.00 0.00 C ATOM 867 CG TRP A 63 -9.893 -5.255 -7.961 1.00 0.00 C ATOM 868 CD1 TRP A 63 -9.950 -6.535 -8.354 1.00 0.00 C ATOM 869 CD2 TRP A 63 -10.509 -5.227 -6.656 1.00 0.00 C ATOM 870 NE1 TRP A 63 -10.555 -7.330 -7.403 1.00 0.00 N ATOM 871 CE2 TRP A 63 -10.906 -6.510 -6.337 1.00 0.00 C ATOM 872 CE3 TRP A 63 -10.724 -4.153 -5.774 1.00 0.00 C ATOM 873 CZ2 TRP A 63 -11.541 -6.839 -5.134 1.00 0.00 C ATOM 874 CZ3 TRP A 63 -11.361 -4.499 -4.576 1.00 0.00 C ATOM 875 CH2 TRP A 63 -11.766 -5.785 -4.240 1.00 0.00 C ATOM 0 H TRP A 63 -8.659 -2.325 -10.378 1.00 0.00 H new ATOM 0 HA TRP A 63 -10.792 -4.043 -10.203 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.504 -4.415 -9.366 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.854 -3.376 -7.999 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -9.570 -6.898 -9.297 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -10.715 -8.335 -7.470 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -10.422 -3.142 -6.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -11.841 -7.851 -4.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -11.551 -3.711 -3.863 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -12.252 -5.971 -3.294 1.00 0.00 H new ATOM 886 N VAL A 64 -11.023 -1.554 -8.048 1.00 0.00 N ATOM 887 CA VAL A 64 -11.951 -0.816 -7.208 1.00 0.00 C ATOM 888 C VAL A 64 -13.287 -0.668 -7.938 1.00 0.00 C ATOM 889 O VAL A 64 -14.340 -0.977 -7.383 1.00 0.00 O ATOM 890 CB VAL A 64 -11.338 0.527 -6.804 1.00 0.00 C ATOM 891 CG1 VAL A 64 -12.345 1.377 -6.028 1.00 0.00 C ATOM 892 CG2 VAL A 64 -10.054 0.323 -5.997 1.00 0.00 C ATOM 0 H VAL A 64 -10.075 -1.178 -8.068 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.145 -1.361 -6.284 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.078 1.065 -7.716 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.885 2.326 -5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.219 1.565 -6.651 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.650 0.847 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.639 1.293 -5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.278 -0.244 -5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.329 -0.225 -6.599 1.00 0.00 H new ATOM 902 N PHE A 65 -13.200 -0.196 -9.173 1.00 0.00 N ATOM 903 CA PHE A 65 -14.389 -0.004 -9.986 1.00 0.00 C ATOM 904 C PHE A 65 -14.881 -1.333 -10.562 1.00 0.00 C ATOM 905 O PHE A 65 -16.031 -1.717 -10.353 1.00 0.00 O ATOM 906 CB PHE A 65 -13.998 0.924 -11.138 1.00 0.00 C ATOM 907 CG PHE A 65 -13.037 2.044 -10.736 1.00 0.00 C ATOM 908 CD1 PHE A 65 -13.151 2.633 -9.515 1.00 0.00 C ATOM 909 CD2 PHE A 65 -12.068 2.451 -11.599 1.00 0.00 C ATOM 910 CE1 PHE A 65 -12.259 3.673 -9.142 1.00 0.00 C ATOM 911 CE2 PHE A 65 -11.176 3.491 -11.226 1.00 0.00 C ATOM 912 CZ PHE A 65 -11.290 4.080 -10.006 1.00 0.00 C ATOM 0 H PHE A 65 -12.325 0.059 -9.630 1.00 0.00 H new ATOM 0 HA PHE A 65 -15.191 0.416 -9.379 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.538 0.331 -11.929 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.902 1.367 -11.557 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -13.920 2.310 -8.829 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.977 1.983 -12.568 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.350 4.141 -8.173 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.407 3.814 -11.912 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.611 4.871 -9.723 1.00 0.00 H new ATOM 922 N ASN A 66 -13.986 -2.000 -11.276 1.00 0.00 N ATOM 923 CA ASN A 66 -14.314 -3.278 -11.883 1.00 0.00 C ATOM 924 C ASN A 66 -15.104 -4.125 -10.884 1.00 0.00 C ATOM 925 O ASN A 66 -16.175 -4.635 -11.207 1.00 0.00 O ATOM 926 CB ASN A 66 -13.048 -4.050 -12.260 1.00 0.00 C ATOM 927 CG ASN A 66 -12.734 -3.894 -13.750 1.00 0.00 C ATOM 928 OD1 ASN A 66 -12.412 -2.654 -14.107 1.00 0.00 O flip ATOM 929 ND2 ASN A 66 -12.780 -4.836 -14.523 1.00 0.00 N flip ATOM 0 H ASN A 66 -13.033 -1.679 -11.448 1.00 0.00 H new ATOM 0 HA ASN A 66 -14.899 -3.084 -12.782 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.207 -3.689 -11.668 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.176 -5.106 -12.020 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.035 -5.763 -14.183 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.564 -4.697 -15.510 1.00 0.00 H new ATOM 936 N ASN A 67 -14.545 -4.248 -9.689 1.00 0.00 N ATOM 937 CA ASN A 67 -15.183 -5.025 -8.640 1.00 0.00 C ATOM 938 C ASN A 67 -15.274 -4.178 -7.369 1.00 0.00 C ATOM 939 O ASN A 67 -14.298 -4.056 -6.630 1.00 0.00 O ATOM 940 CB ASN A 67 -14.374 -6.282 -8.315 1.00 0.00 C ATOM 941 CG ASN A 67 -14.922 -7.496 -9.066 1.00 0.00 C ATOM 942 OD1 ASN A 67 -15.925 -8.086 -8.699 1.00 0.00 O ATOM 943 ND2 ASN A 67 -14.210 -7.836 -10.137 1.00 0.00 N ATOM 0 H ASN A 67 -13.657 -3.822 -9.424 1.00 0.00 H new ATOM 0 HA ASN A 67 -16.173 -5.316 -8.990 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.329 -6.126 -8.583 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.403 -6.470 -7.242 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.494 -8.633 -10.706 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.380 -7.299 -10.389 1.00 0.00 H new ATOM 950 N SER A 68 -16.454 -3.617 -7.153 1.00 0.00 N ATOM 951 CA SER A 68 -16.685 -2.786 -5.983 1.00 0.00 C ATOM 952 C SER A 68 -17.416 -3.590 -4.906 1.00 0.00 C ATOM 953 O SER A 68 -17.993 -3.017 -3.983 1.00 0.00 O ATOM 954 CB SER A 68 -17.487 -1.534 -6.346 1.00 0.00 C ATOM 955 OG SER A 68 -18.827 -1.601 -5.867 1.00 0.00 O ATOM 0 H SER A 68 -17.261 -3.721 -7.768 1.00 0.00 H new ATOM 0 HA SER A 68 -15.718 -2.466 -5.595 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.996 -0.655 -5.928 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.495 -1.410 -7.429 1.00 0.00 H new ATOM 0 HG SER A 68 -18.822 -1.789 -4.905 1.00 0.00 H new ATOM 961 N GLY A 69 -17.367 -4.905 -5.059 1.00 0.00 N ATOM 962 CA GLY A 69 -18.017 -5.793 -4.111 1.00 0.00 C ATOM 963 C GLY A 69 -17.503 -7.226 -4.260 1.00 0.00 C ATOM 964 O GLY A 69 -16.980 -7.596 -5.311 1.00 0.00 O ATOM 0 H GLY A 69 -16.887 -5.377 -5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.836 -5.442 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -19.095 -5.772 -4.268 1.00 0.00 H new ATOM 968 N PRO A 70 -17.673 -8.016 -3.166 1.00 0.00 N ATOM 969 CA PRO A 70 -17.232 -9.400 -3.166 1.00 0.00 C ATOM 970 C PRO A 70 -18.178 -10.277 -3.988 1.00 0.00 C ATOM 971 O PRO A 70 -19.290 -9.863 -4.312 1.00 0.00 O ATOM 972 CB PRO A 70 -17.180 -9.796 -1.699 1.00 0.00 C ATOM 973 CG PRO A 70 -18.033 -8.777 -0.962 1.00 0.00 C ATOM 974 CD PRO A 70 -18.288 -7.612 -1.905 1.00 0.00 C ATOM 0 HA PRO A 70 -16.257 -9.531 -3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -17.564 -10.806 -1.553 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -16.155 -9.788 -1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -18.975 -9.225 -0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -17.525 -8.434 -0.061 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -19.355 -7.427 -2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -17.846 -6.691 -1.526 1.00 0.00 H new ATOM 982 N SER A 71 -17.702 -11.473 -4.303 1.00 0.00 N ATOM 983 CA SER A 71 -18.491 -12.412 -5.081 1.00 0.00 C ATOM 984 C SER A 71 -19.517 -13.105 -4.182 1.00 0.00 C ATOM 985 O SER A 71 -19.364 -13.126 -2.962 1.00 0.00 O ATOM 986 CB SER A 71 -17.597 -13.449 -5.765 1.00 0.00 C ATOM 987 OG SER A 71 -18.005 -13.705 -7.106 1.00 0.00 O ATOM 0 H SER A 71 -16.779 -11.813 -4.033 1.00 0.00 H new ATOM 0 HA SER A 71 -19.016 -11.856 -5.858 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.565 -13.097 -5.761 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.619 -14.378 -5.196 1.00 0.00 H new ATOM 0 HG SER A 71 -17.408 -14.371 -7.508 1.00 0.00 H new ATOM 993 N SER A 72 -20.539 -13.655 -4.820 1.00 0.00 N ATOM 994 CA SER A 72 -21.590 -14.347 -4.093 1.00 0.00 C ATOM 995 C SER A 72 -21.696 -15.794 -4.578 1.00 0.00 C ATOM 996 O SER A 72 -22.385 -16.076 -5.557 1.00 0.00 O ATOM 997 CB SER A 72 -22.934 -13.634 -4.255 1.00 0.00 C ATOM 998 OG SER A 72 -23.320 -13.526 -5.622 1.00 0.00 O ATOM 0 H SER A 72 -20.662 -13.636 -5.832 1.00 0.00 H new ATOM 0 HA SER A 72 -21.332 -14.343 -3.034 1.00 0.00 H new ATOM 0 HB2 SER A 72 -23.701 -14.177 -3.704 1.00 0.00 H new ATOM 0 HB3 SER A 72 -22.871 -12.638 -3.816 1.00 0.00 H new ATOM 0 HG SER A 72 -23.131 -14.370 -6.083 1.00 0.00 H new ATOM 1004 N GLY A 73 -21.002 -16.674 -3.871 1.00 0.00 N ATOM 1005 CA GLY A 73 -21.010 -18.085 -4.217 1.00 0.00 C ATOM 1006 C GLY A 73 -19.615 -18.695 -4.063 1.00 0.00 C ATOM 1007 O GLY A 73 -19.481 -19.885 -3.781 1.00 0.00 O ATOM 0 H GLY A 73 -20.430 -16.437 -3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -21.716 -18.616 -3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -21.354 -18.209 -5.244 1.00 0.00 H new TER 1011 GLY A 73