USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 640 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 29 THR OG1 : rot 73:sc= 1.5 USER MOD Set 1.2: A 77 THR OG1 : rot 155:sc= -0.37 USER MOD Set 2.1: A 4 HIS : no HE2:sc= 0.126 K(o=-0.14,f=-2.7!) USER MOD Set 2.2: A 7 HIS : no HD1:sc= -0.266 X(o=-0.14,f=-0.038) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0153 (180deg=-0.255) USER MOD Single : A 3 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.6) USER MOD Single : A 5 HIS : no HD1:sc= -0.0435 X(o=-0.044,f=-0.044) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.191 K(o=0.19,f=-0.79) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= 0.357 K(o=0.36,f=-1.6!) USER MOD Single : A 11 MET CE :methyl 179:sc= 0 (180deg=-0.00124) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.0206 X(o=-0.021,f=-0.022) USER MOD Single : A 26 GLN : amide:sc= -0.0186 K(o=-0.019,f=-1.2) USER MOD Single : A 33 SER OG : rot 83:sc= -0.0052 USER MOD Single : A 36 LYS NZ :NH3+ 170:sc=-0.00444 (180deg=-0.108) USER MOD Single : A 39 GLN : amide:sc=-0.00583 X(o=-0.0058,f=-0.14) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 150:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.354 X(o=-0.35,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.864 K(o=-0.86,f=-8!) USER MOD Single : A 53 GLN : amide:sc= 0.402 X(o=0.4,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -128:sc= -2.05 (180deg=-3.34!) USER MOD Single : A 59 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00223) USER MOD Single : A 60 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0283) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0.267 (180deg=0.0926) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00361 USER MOD Single : A 68 SER OG : rot 70:sc= -1.11 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.862 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.037 -40.581 -9.053 1.00 0.00 N ATOM 2 CA MET A 1 -20.172 -40.603 -10.252 1.00 0.00 C ATOM 3 C MET A 1 -18.807 -39.998 -9.904 1.00 0.00 C ATOM 4 O MET A 1 -18.610 -38.788 -10.042 1.00 0.00 O ATOM 5 CB MET A 1 -20.859 -39.839 -11.421 1.00 0.00 C ATOM 6 CG MET A 1 -22.192 -40.443 -11.876 1.00 0.00 C ATOM 7 SD MET A 1 -23.018 -39.451 -13.135 1.00 0.00 S ATOM 8 CE MET A 1 -24.424 -40.490 -13.536 1.00 0.00 C ATOM 0 H1 MET A 1 -21.854 -41.207 -9.203 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.496 -40.910 -8.228 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.371 -39.611 -8.883 1.00 0.00 H new ATOM 0 HA MET A 1 -20.017 -41.631 -10.579 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.028 -38.807 -11.115 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.177 -39.812 -12.271 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.016 -41.445 -12.267 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.851 -40.549 -11.014 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.028 -40.005 -14.303 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.071 -41.452 -13.907 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.029 -40.645 -12.642 1.00 0.00 H new ATOM 20 N GLY A 2 -17.871 -40.863 -9.445 1.00 0.00 N ATOM 21 CA GLY A 2 -16.526 -40.440 -9.010 1.00 0.00 C ATOM 22 C GLY A 2 -15.702 -39.788 -10.107 1.00 0.00 C ATOM 23 O GLY A 2 -14.800 -39.000 -9.829 1.00 0.00 O ATOM 0 H GLY A 2 -18.030 -41.868 -9.368 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -16.626 -39.741 -8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -15.987 -41.309 -8.632 1.00 0.00 H new ATOM 27 N HIS A 3 -16.071 -40.086 -11.359 1.00 0.00 N ATOM 28 CA HIS A 3 -15.447 -39.512 -12.567 1.00 0.00 C ATOM 29 C HIS A 3 -15.934 -38.054 -12.830 1.00 0.00 C ATOM 30 O HIS A 3 -15.704 -37.495 -13.909 1.00 0.00 O ATOM 31 CB HIS A 3 -15.734 -40.471 -13.771 1.00 0.00 C ATOM 32 CG HIS A 3 -15.197 -40.038 -15.120 1.00 0.00 C ATOM 33 ND1 HIS A 3 -15.997 -39.458 -16.085 1.00 0.00 N ATOM 34 CD2 HIS A 3 -13.949 -40.074 -15.654 1.00 0.00 C ATOM 35 CE1 HIS A 3 -15.278 -39.158 -17.138 1.00 0.00 C ATOM 36 NE2 HIS A 3 -14.031 -39.513 -16.911 1.00 0.00 N ATOM 0 H HIS A 3 -16.823 -40.743 -11.569 1.00 0.00 H new ATOM 0 HA HIS A 3 -14.369 -39.434 -12.427 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -15.316 -41.450 -13.535 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -16.813 -40.597 -13.857 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -13.060 -40.468 -15.183 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -15.647 -38.696 -18.042 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -13.253 -39.393 -17.559 1.00 0.00 H new ATOM 45 N HIS A 4 -16.590 -37.432 -11.823 1.00 0.00 N ATOM 46 CA HIS A 4 -16.971 -36.012 -11.872 1.00 0.00 C ATOM 47 C HIS A 4 -15.743 -35.124 -12.186 1.00 0.00 C ATOM 48 O HIS A 4 -15.786 -34.328 -13.130 1.00 0.00 O ATOM 49 CB HIS A 4 -17.702 -35.575 -10.568 1.00 0.00 C ATOM 50 CG HIS A 4 -16.976 -35.860 -9.257 1.00 0.00 C ATOM 51 ND1 HIS A 4 -17.243 -36.952 -8.455 1.00 0.00 N ATOM 52 CD2 HIS A 4 -16.004 -35.180 -8.605 1.00 0.00 C ATOM 53 CE1 HIS A 4 -16.469 -36.925 -7.389 1.00 0.00 C ATOM 54 NE2 HIS A 4 -15.710 -35.859 -7.457 1.00 0.00 N ATOM 0 H HIS A 4 -16.866 -37.902 -10.961 1.00 0.00 H new ATOM 0 HA HIS A 4 -17.682 -35.877 -12.687 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -17.894 -34.504 -10.626 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -18.672 -36.072 -10.537 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -17.936 -37.672 -8.658 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -15.542 -34.261 -8.935 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -16.461 -37.657 -6.595 1.00 0.00 H new ATOM 63 N HIS A 5 -14.650 -35.304 -11.397 1.00 0.00 N ATOM 64 CA HIS A 5 -13.310 -34.690 -11.629 1.00 0.00 C ATOM 65 C HIS A 5 -13.307 -33.123 -11.679 1.00 0.00 C ATOM 66 O HIS A 5 -12.240 -32.503 -11.764 1.00 0.00 O ATOM 67 CB HIS A 5 -12.701 -35.330 -12.918 1.00 0.00 C ATOM 68 CG HIS A 5 -11.273 -34.968 -13.238 1.00 0.00 C ATOM 69 ND1 HIS A 5 -10.192 -35.492 -12.565 1.00 0.00 N ATOM 70 CD2 HIS A 5 -10.756 -34.154 -14.192 1.00 0.00 C ATOM 71 CE1 HIS A 5 -9.081 -35.017 -13.088 1.00 0.00 C ATOM 72 NE2 HIS A 5 -9.396 -34.203 -14.072 1.00 0.00 N ATOM 0 H HIS A 5 -14.674 -35.892 -10.564 1.00 0.00 H new ATOM 0 HA HIS A 5 -12.685 -34.910 -10.764 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -12.765 -36.414 -12.824 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -13.323 -35.046 -13.767 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -11.315 -33.575 -14.912 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -8.079 -35.256 -12.763 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -8.732 -33.691 -14.652 1.00 0.00 H new ATOM 81 N HIS A 6 -14.491 -32.486 -11.552 1.00 0.00 N ATOM 82 CA HIS A 6 -14.679 -31.042 -11.814 1.00 0.00 C ATOM 83 C HIS A 6 -14.009 -30.176 -10.739 1.00 0.00 C ATOM 84 O HIS A 6 -13.683 -29.019 -10.998 1.00 0.00 O ATOM 85 CB HIS A 6 -16.190 -30.698 -11.932 1.00 0.00 C ATOM 86 CG HIS A 6 -16.899 -31.317 -13.122 1.00 0.00 C ATOM 87 ND1 HIS A 6 -18.023 -32.113 -13.010 1.00 0.00 N ATOM 88 CD2 HIS A 6 -16.663 -31.208 -14.458 1.00 0.00 C ATOM 89 CE1 HIS A 6 -18.440 -32.461 -14.214 1.00 0.00 C ATOM 90 NE2 HIS A 6 -17.637 -31.925 -15.110 1.00 0.00 N ATOM 0 H HIS A 6 -15.347 -32.960 -11.264 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.195 -30.817 -12.764 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -16.693 -31.021 -11.021 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -16.297 -29.615 -11.988 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -15.857 -30.658 -14.921 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -19.297 -33.082 -14.428 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -17.724 -32.026 -16.121 1.00 0.00 H new ATOM 99 N HIS A 7 -13.809 -30.750 -9.541 1.00 0.00 N ATOM 100 CA HIS A 7 -13.135 -30.071 -8.430 1.00 0.00 C ATOM 101 C HIS A 7 -11.633 -29.927 -8.750 1.00 0.00 C ATOM 102 O HIS A 7 -10.885 -30.912 -8.754 1.00 0.00 O ATOM 103 CB HIS A 7 -13.386 -30.814 -7.075 1.00 0.00 C ATOM 104 CG HIS A 7 -12.778 -32.200 -6.953 1.00 0.00 C ATOM 105 ND1 HIS A 7 -11.724 -32.496 -6.106 1.00 0.00 N ATOM 106 CD2 HIS A 7 -13.078 -33.366 -7.578 1.00 0.00 C ATOM 107 CE1 HIS A 7 -11.413 -33.772 -6.218 1.00 0.00 C ATOM 108 NE2 HIS A 7 -12.213 -34.322 -7.108 1.00 0.00 N ATOM 0 H HIS A 7 -14.112 -31.698 -9.319 1.00 0.00 H new ATOM 0 HA HIS A 7 -13.554 -29.072 -8.312 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.996 -30.195 -6.267 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -14.462 -30.896 -6.923 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.856 -33.515 -8.312 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.633 -34.281 -5.672 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -12.193 -35.299 -7.400 1.00 0.00 H new ATOM 117 N HIS A 8 -11.236 -28.701 -9.127 1.00 0.00 N ATOM 118 CA HIS A 8 -9.834 -28.333 -9.401 1.00 0.00 C ATOM 119 C HIS A 8 -9.689 -26.799 -9.437 1.00 0.00 C ATOM 120 O HIS A 8 -8.948 -26.236 -10.249 1.00 0.00 O ATOM 121 CB HIS A 8 -9.305 -29.016 -10.706 1.00 0.00 C ATOM 122 CG HIS A 8 -10.121 -28.785 -11.952 1.00 0.00 C ATOM 123 ND1 HIS A 8 -11.081 -29.675 -12.394 1.00 0.00 N ATOM 124 CD2 HIS A 8 -10.091 -27.793 -12.874 1.00 0.00 C ATOM 125 CE1 HIS A 8 -11.599 -29.235 -13.523 1.00 0.00 C ATOM 126 NE2 HIS A 8 -11.016 -28.098 -13.838 1.00 0.00 N ATOM 0 H HIS A 8 -11.887 -27.926 -9.252 1.00 0.00 H new ATOM 0 HA HIS A 8 -9.208 -28.707 -8.590 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.290 -28.664 -10.890 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -9.243 -30.090 -10.530 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -11.347 -30.538 -11.920 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -9.454 -26.921 -12.853 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -12.373 -29.726 -14.095 1.00 0.00 H new ATOM 135 N SER A 9 -10.371 -26.139 -8.486 1.00 0.00 N ATOM 136 CA SER A 9 -10.372 -24.664 -8.351 1.00 0.00 C ATOM 137 C SER A 9 -9.008 -24.115 -7.867 1.00 0.00 C ATOM 138 O SER A 9 -8.735 -22.912 -7.980 1.00 0.00 O ATOM 139 CB SER A 9 -11.492 -24.225 -7.386 1.00 0.00 C ATOM 140 OG SER A 9 -12.767 -24.622 -7.861 1.00 0.00 O ATOM 0 H SER A 9 -10.941 -26.611 -7.784 1.00 0.00 H new ATOM 0 HA SER A 9 -10.554 -24.247 -9.342 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.317 -24.659 -6.401 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.468 -23.142 -7.266 1.00 0.00 H new ATOM 0 HG SER A 9 -13.457 -24.332 -7.228 1.00 0.00 H new ATOM 146 N HIS A 10 -8.155 -25.015 -7.347 1.00 0.00 N ATOM 147 CA HIS A 10 -6.796 -24.668 -6.870 1.00 0.00 C ATOM 148 C HIS A 10 -5.811 -24.519 -8.048 1.00 0.00 C ATOM 149 O HIS A 10 -4.655 -24.149 -7.860 1.00 0.00 O ATOM 150 CB HIS A 10 -6.310 -25.727 -5.846 1.00 0.00 C ATOM 151 CG HIS A 10 -4.968 -25.460 -5.215 1.00 0.00 C ATOM 152 ND1 HIS A 10 -4.718 -24.353 -4.445 1.00 0.00 N ATOM 153 CD2 HIS A 10 -3.805 -26.153 -5.254 1.00 0.00 C ATOM 154 CE1 HIS A 10 -3.470 -24.371 -4.036 1.00 0.00 C ATOM 155 NE2 HIS A 10 -2.889 -25.449 -4.516 1.00 0.00 N ATOM 0 H HIS A 10 -8.384 -26.004 -7.244 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.837 -23.701 -6.369 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.054 -25.807 -5.053 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.270 -26.696 -6.344 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -5.398 -23.626 -4.224 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.632 -27.086 -5.770 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.000 -23.626 -3.411 1.00 0.00 H new ATOM 164 N MET A 11 -6.282 -24.792 -9.276 1.00 0.00 N ATOM 165 CA MET A 11 -5.504 -24.529 -10.502 1.00 0.00 C ATOM 166 C MET A 11 -5.560 -23.041 -10.900 1.00 0.00 C ATOM 167 O MET A 11 -4.934 -22.651 -11.887 1.00 0.00 O ATOM 168 CB MET A 11 -5.994 -25.429 -11.668 1.00 0.00 C ATOM 169 CG MET A 11 -5.814 -26.928 -11.416 1.00 0.00 C ATOM 170 SD MET A 11 -6.291 -27.939 -12.834 1.00 0.00 S ATOM 171 CE MET A 11 -5.802 -29.576 -12.287 1.00 0.00 C ATOM 0 H MET A 11 -7.202 -25.197 -9.448 1.00 0.00 H new ATOM 0 HA MET A 11 -4.463 -24.774 -10.291 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.049 -25.226 -11.851 1.00 0.00 H new ATOM 0 HB3 MET A 11 -5.455 -25.156 -12.575 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.771 -27.127 -11.168 1.00 0.00 H new ATOM 0 HG3 MET A 11 -6.409 -27.220 -10.551 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.053 -30.307 -13.056 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.727 -29.593 -12.107 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.328 -29.824 -11.365 1.00 0.00 H new ATOM 181 N ALA A 12 -6.313 -22.232 -10.125 1.00 0.00 N ATOM 182 CA ALA A 12 -6.390 -20.777 -10.280 1.00 0.00 C ATOM 183 C ALA A 12 -6.960 -20.143 -9.000 1.00 0.00 C ATOM 184 O ALA A 12 -8.184 -20.007 -8.869 1.00 0.00 O ATOM 185 CB ALA A 12 -7.227 -20.387 -11.523 1.00 0.00 C ATOM 0 H ALA A 12 -6.892 -22.585 -9.363 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.383 -20.391 -10.439 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.265 -19.301 -11.610 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.767 -20.807 -12.418 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.239 -20.778 -11.418 1.00 0.00 H new ATOM 191 N ASP A 13 -6.068 -19.801 -8.041 1.00 0.00 N ATOM 192 CA ASP A 13 -6.453 -19.161 -6.770 1.00 0.00 C ATOM 193 C ASP A 13 -5.259 -18.392 -6.141 1.00 0.00 C ATOM 194 O ASP A 13 -4.576 -18.901 -5.257 1.00 0.00 O ATOM 195 CB ASP A 13 -7.085 -20.204 -5.783 1.00 0.00 C ATOM 196 CG ASP A 13 -6.146 -21.342 -5.311 1.00 0.00 C ATOM 197 OD1 ASP A 13 -5.256 -21.778 -6.077 1.00 0.00 O ATOM 198 OD2 ASP A 13 -6.301 -21.805 -4.161 1.00 0.00 O ATOM 0 H ASP A 13 -5.065 -19.962 -8.130 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.223 -18.419 -6.981 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.448 -19.671 -4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.954 -20.652 -6.265 1.00 0.00 H new ATOM 203 N PRO A 14 -4.970 -17.127 -6.602 1.00 0.00 N ATOM 204 CA PRO A 14 -3.862 -16.298 -6.055 1.00 0.00 C ATOM 205 C PRO A 14 -4.296 -15.431 -4.839 1.00 0.00 C ATOM 206 O PRO A 14 -3.678 -14.398 -4.541 1.00 0.00 O ATOM 207 CB PRO A 14 -3.498 -15.450 -7.295 1.00 0.00 C ATOM 208 CG PRO A 14 -4.807 -15.193 -7.979 1.00 0.00 C ATOM 209 CD PRO A 14 -5.666 -16.418 -7.723 1.00 0.00 C ATOM 0 HA PRO A 14 -3.033 -16.876 -5.647 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.012 -14.518 -7.008 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.807 -15.982 -7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.282 -14.295 -7.585 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.663 -15.035 -9.048 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.684 -16.140 -7.448 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.736 -17.048 -8.610 1.00 0.00 H new ATOM 217 N GLY A 15 -5.321 -15.919 -4.112 1.00 0.00 N ATOM 218 CA GLY A 15 -5.974 -15.168 -3.021 1.00 0.00 C ATOM 219 C GLY A 15 -6.510 -13.798 -3.450 1.00 0.00 C ATOM 220 O GLY A 15 -6.580 -13.496 -4.641 1.00 0.00 O ATOM 0 H GLY A 15 -5.720 -16.845 -4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.797 -15.762 -2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.260 -15.031 -2.209 1.00 0.00 H new ATOM 224 N ARG A 16 -6.955 -12.986 -2.476 1.00 0.00 N ATOM 225 CA ARG A 16 -7.205 -11.534 -2.659 1.00 0.00 C ATOM 226 C ARG A 16 -5.911 -10.726 -2.947 1.00 0.00 C ATOM 227 O ARG A 16 -6.002 -9.583 -3.348 1.00 0.00 O ATOM 228 CB ARG A 16 -7.930 -10.981 -1.382 1.00 0.00 C ATOM 229 CG ARG A 16 -8.276 -9.471 -1.412 1.00 0.00 C ATOM 230 CD ARG A 16 -8.937 -8.986 -0.116 1.00 0.00 C ATOM 231 NE ARG A 16 -8.079 -9.179 1.072 1.00 0.00 N ATOM 232 CZ ARG A 16 -8.427 -8.858 2.339 1.00 0.00 C ATOM 233 NH1 ARG A 16 -9.619 -8.319 2.603 1.00 0.00 N ATOM 234 NH2 ARG A 16 -7.589 -9.103 3.339 1.00 0.00 N ATOM 0 H ARG A 16 -7.155 -13.314 -1.531 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.837 -11.411 -3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.852 -11.544 -1.237 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.298 -11.174 -0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.365 -8.898 -1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.943 -9.273 -2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.183 -7.929 -0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.876 -9.520 0.029 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.155 -9.585 0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.279 -8.145 1.845 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.870 -8.081 3.563 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.683 -9.533 3.152 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.851 -8.861 4.295 1.00 0.00 H new ATOM 248 N GLU A 17 -4.729 -11.345 -2.798 1.00 0.00 N ATOM 249 CA GLU A 17 -3.429 -10.640 -2.677 1.00 0.00 C ATOM 250 C GLU A 17 -3.158 -9.587 -3.785 1.00 0.00 C ATOM 251 O GLU A 17 -2.806 -8.448 -3.478 1.00 0.00 O ATOM 252 CB GLU A 17 -2.306 -11.694 -2.663 1.00 0.00 C ATOM 253 CG GLU A 17 -0.880 -11.111 -2.649 1.00 0.00 C ATOM 254 CD GLU A 17 0.178 -12.190 -2.445 1.00 0.00 C ATOM 255 OE1 GLU A 17 0.631 -12.791 -3.439 1.00 0.00 O ATOM 256 OE2 GLU A 17 0.538 -12.468 -1.285 1.00 0.00 O ATOM 0 H GLU A 17 -4.641 -12.360 -2.757 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.462 -10.071 -1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.433 -12.330 -1.787 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.415 -12.333 -3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.692 -10.592 -3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.799 -10.370 -1.854 1.00 0.00 H new ATOM 263 N GLY A 18 -3.312 -9.996 -5.053 1.00 0.00 N ATOM 264 CA GLY A 18 -3.126 -9.099 -6.205 1.00 0.00 C ATOM 265 C GLY A 18 -4.163 -7.981 -6.296 1.00 0.00 C ATOM 266 O GLY A 18 -3.876 -6.914 -6.845 1.00 0.00 O ATOM 0 H GLY A 18 -3.567 -10.950 -5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.132 -8.655 -6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.161 -9.689 -7.121 1.00 0.00 H new ATOM 270 N HIS A 19 -5.370 -8.240 -5.759 1.00 0.00 N ATOM 271 CA HIS A 19 -6.455 -7.238 -5.660 1.00 0.00 C ATOM 272 C HIS A 19 -6.161 -6.243 -4.521 1.00 0.00 C ATOM 273 O HIS A 19 -6.468 -5.057 -4.634 1.00 0.00 O ATOM 274 CB HIS A 19 -7.827 -7.938 -5.449 1.00 0.00 C ATOM 275 CG HIS A 19 -8.980 -7.005 -5.145 1.00 0.00 C ATOM 276 ND1 HIS A 19 -9.645 -6.286 -6.114 1.00 0.00 N ATOM 277 CD2 HIS A 19 -9.577 -6.669 -3.966 1.00 0.00 C ATOM 278 CE1 HIS A 19 -10.591 -5.560 -5.553 1.00 0.00 C ATOM 279 NE2 HIS A 19 -10.569 -5.773 -4.257 1.00 0.00 N ATOM 0 H HIS A 19 -5.624 -9.152 -5.380 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.503 -6.681 -6.596 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.068 -8.510 -6.345 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.732 -8.652 -4.631 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.316 -7.041 -2.986 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -11.271 -4.900 -6.072 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -11.192 -5.339 -3.576 1.00 0.00 H new ATOM 288 N LEU A 20 -5.603 -6.763 -3.423 1.00 0.00 N ATOM 289 CA LEU A 20 -5.155 -5.969 -2.275 1.00 0.00 C ATOM 290 C LEU A 20 -4.001 -5.040 -2.696 1.00 0.00 C ATOM 291 O LEU A 20 -3.962 -3.871 -2.304 1.00 0.00 O ATOM 292 CB LEU A 20 -4.745 -6.939 -1.110 1.00 0.00 C ATOM 293 CG LEU A 20 -4.443 -6.312 0.304 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.975 -5.844 0.464 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.428 -5.167 0.613 1.00 0.00 C ATOM 0 H LEU A 20 -5.448 -7.764 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.963 -5.332 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.544 -7.670 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.858 -7.487 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.587 -7.108 1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.834 -5.422 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.306 -6.694 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.751 -5.086 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.202 -4.748 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.332 -4.390 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.447 -5.553 0.609 1.00 0.00 H new ATOM 307 N GLU A 21 -3.087 -5.586 -3.506 1.00 0.00 N ATOM 308 CA GLU A 21 -1.981 -4.837 -4.128 1.00 0.00 C ATOM 309 C GLU A 21 -2.531 -3.765 -5.089 1.00 0.00 C ATOM 310 O GLU A 21 -2.027 -2.638 -5.133 1.00 0.00 O ATOM 311 CB GLU A 21 -1.039 -5.814 -4.885 1.00 0.00 C ATOM 312 CG GLU A 21 0.106 -5.128 -5.651 1.00 0.00 C ATOM 313 CD GLU A 21 1.025 -6.110 -6.372 1.00 0.00 C ATOM 314 OE1 GLU A 21 0.577 -6.722 -7.363 1.00 0.00 O ATOM 315 OE2 GLU A 21 2.191 -6.294 -5.963 1.00 0.00 O ATOM 0 H GLU A 21 -3.092 -6.575 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.411 -4.335 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.611 -6.515 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.632 -6.399 -5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.317 -4.436 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.696 -4.535 -4.953 1.00 0.00 H new ATOM 322 N GLN A 22 -3.580 -4.146 -5.843 1.00 0.00 N ATOM 323 CA GLN A 22 -4.279 -3.250 -6.783 1.00 0.00 C ATOM 324 C GLN A 22 -4.925 -2.069 -6.038 1.00 0.00 C ATOM 325 O GLN A 22 -4.933 -0.939 -6.541 1.00 0.00 O ATOM 326 CB GLN A 22 -5.349 -4.059 -7.561 1.00 0.00 C ATOM 327 CG GLN A 22 -6.022 -3.317 -8.726 1.00 0.00 C ATOM 328 CD GLN A 22 -5.045 -2.953 -9.849 1.00 0.00 C ATOM 329 OE1 GLN A 22 -4.459 -1.866 -9.853 1.00 0.00 O ATOM 330 NE2 GLN A 22 -4.855 -3.864 -10.790 1.00 0.00 N ATOM 0 H GLN A 22 -3.968 -5.089 -5.817 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.556 -2.839 -7.488 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.883 -4.964 -7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.121 -4.375 -6.860 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.819 -3.939 -9.133 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.488 -2.407 -8.349 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.359 -4.750 -10.751 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.205 -3.680 -11.554 1.00 0.00 H new ATOM 339 N ARG A 23 -5.449 -2.349 -4.826 1.00 0.00 N ATOM 340 CA ARG A 23 -5.968 -1.317 -3.915 1.00 0.00 C ATOM 341 C ARG A 23 -4.859 -0.343 -3.501 1.00 0.00 C ATOM 342 O ARG A 23 -5.027 0.863 -3.639 1.00 0.00 O ATOM 343 CB ARG A 23 -6.591 -1.967 -2.647 1.00 0.00 C ATOM 344 CG ARG A 23 -7.989 -2.593 -2.828 1.00 0.00 C ATOM 345 CD ARG A 23 -9.121 -1.556 -2.839 1.00 0.00 C ATOM 346 NE ARG A 23 -9.031 -0.592 -3.949 1.00 0.00 N ATOM 347 CZ ARG A 23 -9.289 0.725 -3.856 1.00 0.00 C ATOM 348 NH1 ARG A 23 -9.666 1.271 -2.696 1.00 0.00 N ATOM 349 NH2 ARG A 23 -9.168 1.501 -4.922 1.00 0.00 N ATOM 0 H ARG A 23 -5.522 -3.297 -4.456 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.741 -0.763 -4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.912 -2.740 -2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.652 -1.209 -1.866 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.010 -3.154 -3.762 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.167 -3.307 -2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.077 -2.076 -2.898 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.112 -1.011 -1.895 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.751 -0.952 -4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.762 0.687 -1.865 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.858 2.271 -2.642 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.879 1.100 -5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.364 2.499 -4.851 1.00 0.00 H new ATOM 363 N ILE A 24 -3.716 -0.900 -3.040 1.00 0.00 N ATOM 364 CA ILE A 24 -2.578 -0.109 -2.531 1.00 0.00 C ATOM 365 C ILE A 24 -2.095 0.893 -3.603 1.00 0.00 C ATOM 366 O ILE A 24 -1.979 2.089 -3.318 1.00 0.00 O ATOM 367 CB ILE A 24 -1.387 -1.032 -2.063 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.824 -1.972 -0.895 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.160 -0.189 -1.651 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.774 -2.983 -0.458 1.00 0.00 C ATOM 0 H ILE A 24 -3.559 -1.907 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.926 0.445 -1.660 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.103 -1.656 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.095 -1.358 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.722 -2.511 -1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.646 -0.851 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.174 0.407 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.432 0.472 -0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.170 -3.589 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.518 -3.628 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.118 -2.457 -0.119 1.00 0.00 H new ATOM 382 N LEU A 25 -1.906 0.405 -4.849 1.00 0.00 N ATOM 383 CA LEU A 25 -1.469 1.231 -5.989 1.00 0.00 C ATOM 384 C LEU A 25 -2.468 2.358 -6.285 1.00 0.00 C ATOM 385 O LEU A 25 -2.071 3.510 -6.419 1.00 0.00 O ATOM 386 CB LEU A 25 -1.295 0.342 -7.256 1.00 0.00 C ATOM 387 CG LEU A 25 -0.084 -0.628 -7.240 1.00 0.00 C ATOM 388 CD1 LEU A 25 -0.072 -1.532 -8.492 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.234 0.159 -7.089 1.00 0.00 C ATOM 0 H LEU A 25 -2.053 -0.575 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.514 1.684 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.204 -0.244 -7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.202 0.994 -8.124 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.182 -1.285 -6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.789 -2.200 -8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.988 -2.122 -8.524 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.008 -0.913 -9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.074 -0.536 -7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.344 0.849 -7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.217 0.721 -6.155 1.00 0.00 H new ATOM 401 N GLN A 26 -3.769 2.006 -6.327 1.00 0.00 N ATOM 402 CA GLN A 26 -4.839 2.936 -6.716 1.00 0.00 C ATOM 403 C GLN A 26 -4.990 4.075 -5.682 1.00 0.00 C ATOM 404 O GLN A 26 -5.103 5.240 -6.057 1.00 0.00 O ATOM 405 CB GLN A 26 -6.179 2.175 -6.888 1.00 0.00 C ATOM 406 CG GLN A 26 -7.345 3.040 -7.396 1.00 0.00 C ATOM 407 CD GLN A 26 -7.115 3.629 -8.793 1.00 0.00 C ATOM 408 OE1 GLN A 26 -6.569 4.722 -8.934 1.00 0.00 O ATOM 409 NE2 GLN A 26 -7.532 2.909 -9.828 1.00 0.00 N ATOM 0 H GLN A 26 -4.103 1.071 -6.092 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.567 3.385 -7.671 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.026 1.349 -7.583 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.459 1.737 -5.930 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.253 2.437 -7.411 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.515 3.854 -6.692 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.981 2.006 -9.673 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.403 3.259 -10.777 1.00 0.00 H new ATOM 418 N VAL A 27 -4.942 3.714 -4.387 1.00 0.00 N ATOM 419 CA VAL A 27 -5.033 4.675 -3.271 1.00 0.00 C ATOM 420 C VAL A 27 -3.863 5.681 -3.338 1.00 0.00 C ATOM 421 O VAL A 27 -4.063 6.895 -3.243 1.00 0.00 O ATOM 422 CB VAL A 27 -5.012 3.925 -1.882 1.00 0.00 C ATOM 423 CG1 VAL A 27 -4.939 4.907 -0.692 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.226 2.982 -1.735 1.00 0.00 C ATOM 0 H VAL A 27 -4.839 2.746 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.976 5.213 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.104 3.322 -1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.927 4.346 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.031 5.504 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.808 5.565 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.182 2.481 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.147 3.561 -1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.207 2.238 -2.531 1.00 0.00 H new ATOM 434 N LEU A 28 -2.661 5.138 -3.553 1.00 0.00 N ATOM 435 CA LEU A 28 -1.423 5.926 -3.635 1.00 0.00 C ATOM 436 C LEU A 28 -1.410 6.841 -4.881 1.00 0.00 C ATOM 437 O LEU A 28 -0.805 7.924 -4.850 1.00 0.00 O ATOM 438 CB LEU A 28 -0.197 4.983 -3.611 1.00 0.00 C ATOM 439 CG LEU A 28 0.044 4.227 -2.268 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.192 3.216 -2.402 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.302 5.203 -1.110 1.00 0.00 C ATOM 0 H LEU A 28 -2.516 4.136 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.374 6.581 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.312 4.247 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.693 5.567 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.867 3.675 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.338 2.703 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.946 2.486 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.108 3.740 -2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.466 4.641 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.184 5.804 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.561 5.857 -0.987 1.00 0.00 H new ATOM 453 N THR A 29 -2.092 6.411 -5.964 1.00 0.00 N ATOM 454 CA THR A 29 -2.238 7.195 -7.203 1.00 0.00 C ATOM 455 C THR A 29 -3.198 8.385 -7.015 1.00 0.00 C ATOM 456 O THR A 29 -2.851 9.524 -7.351 1.00 0.00 O ATOM 457 CB THR A 29 -2.740 6.279 -8.372 1.00 0.00 C ATOM 458 OG1 THR A 29 -1.772 5.258 -8.630 1.00 0.00 O ATOM 459 CG2 THR A 29 -3.000 7.062 -9.671 1.00 0.00 C ATOM 0 H THR A 29 -2.558 5.505 -6.001 1.00 0.00 H new ATOM 0 HA THR A 29 -1.256 7.595 -7.456 1.00 0.00 H new ATOM 0 HB THR A 29 -3.688 5.845 -8.053 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.796 4.595 -7.909 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.345 6.377 -10.446 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.761 7.821 -9.492 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.078 7.543 -9.997 1.00 0.00 H new ATOM 467 N GLU A 30 -4.387 8.116 -6.454 1.00 0.00 N ATOM 468 CA GLU A 30 -5.444 9.130 -6.281 1.00 0.00 C ATOM 469 C GLU A 30 -5.026 10.190 -5.253 1.00 0.00 C ATOM 470 O GLU A 30 -5.410 11.353 -5.364 1.00 0.00 O ATOM 471 CB GLU A 30 -6.757 8.429 -5.857 1.00 0.00 C ATOM 472 CG GLU A 30 -7.296 7.426 -6.902 1.00 0.00 C ATOM 473 CD GLU A 30 -8.443 6.577 -6.350 1.00 0.00 C ATOM 474 OE1 GLU A 30 -8.181 5.743 -5.473 1.00 0.00 O ATOM 475 OE2 GLU A 30 -9.608 6.757 -6.752 1.00 0.00 O ATOM 0 H GLU A 30 -4.645 7.192 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.605 9.645 -7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.590 7.904 -4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.518 9.187 -5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.640 7.970 -7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.486 6.773 -7.227 1.00 0.00 H new ATOM 482 N ALA A 31 -4.239 9.761 -4.257 1.00 0.00 N ATOM 483 CA ALA A 31 -3.561 10.663 -3.321 1.00 0.00 C ATOM 484 C ALA A 31 -2.490 11.495 -4.041 1.00 0.00 C ATOM 485 O ALA A 31 -2.336 12.691 -3.771 1.00 0.00 O ATOM 486 CB ALA A 31 -2.926 9.857 -2.180 1.00 0.00 C ATOM 0 H ALA A 31 -4.055 8.774 -4.079 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.302 11.346 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.425 10.536 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.702 9.306 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.200 9.155 -2.590 1.00 0.00 H new ATOM 492 N GLY A 32 -1.747 10.826 -4.954 1.00 0.00 N ATOM 493 CA GLY A 32 -0.584 11.421 -5.623 1.00 0.00 C ATOM 494 C GLY A 32 0.514 11.782 -4.638 1.00 0.00 C ATOM 495 O GLY A 32 1.358 12.639 -4.914 1.00 0.00 O ATOM 0 H GLY A 32 -1.941 9.866 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.193 10.721 -6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.895 12.315 -6.164 1.00 0.00 H new ATOM 499 N SER A 33 0.490 11.097 -3.481 1.00 0.00 N ATOM 500 CA SER A 33 1.270 11.431 -2.283 1.00 0.00 C ATOM 501 C SER A 33 1.399 10.166 -1.392 1.00 0.00 C ATOM 502 O SER A 33 0.596 9.230 -1.541 1.00 0.00 O ATOM 503 CB SER A 33 0.563 12.576 -1.494 1.00 0.00 C ATOM 504 OG SER A 33 0.402 13.748 -2.283 1.00 0.00 O ATOM 0 H SER A 33 -0.093 10.270 -3.353 1.00 0.00 H new ATOM 0 HA SER A 33 2.264 11.771 -2.574 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.413 12.232 -1.153 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.145 12.816 -0.604 1.00 0.00 H new ATOM 0 HG SER A 33 -0.397 13.658 -2.843 1.00 0.00 H new ATOM 510 N PRO A 34 2.417 10.096 -0.473 1.00 0.00 N ATOM 511 CA PRO A 34 2.522 8.997 0.519 1.00 0.00 C ATOM 512 C PRO A 34 1.294 8.933 1.453 1.00 0.00 C ATOM 513 O PRO A 34 0.899 9.944 2.032 1.00 0.00 O ATOM 514 CB PRO A 34 3.826 9.322 1.302 1.00 0.00 C ATOM 515 CG PRO A 34 4.120 10.763 1.019 1.00 0.00 C ATOM 516 CD PRO A 34 3.566 11.038 -0.359 1.00 0.00 C ATOM 0 HA PRO A 34 2.552 8.016 0.044 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.694 9.152 2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.647 8.684 0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.654 11.410 1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.192 10.957 1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.245 12.075 -0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.311 10.856 -1.134 1.00 0.00 H new ATOM 524 N VAL A 35 0.691 7.744 1.566 1.00 0.00 N ATOM 525 CA VAL A 35 -0.431 7.464 2.474 1.00 0.00 C ATOM 526 C VAL A 35 0.095 6.619 3.638 1.00 0.00 C ATOM 527 O VAL A 35 0.922 5.721 3.431 1.00 0.00 O ATOM 528 CB VAL A 35 -1.591 6.692 1.724 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.749 6.316 2.669 1.00 0.00 C ATOM 530 CG2 VAL A 35 -2.112 7.508 0.523 1.00 0.00 C ATOM 0 H VAL A 35 0.974 6.932 1.018 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.844 8.404 2.841 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.162 5.761 1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.520 5.788 2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.375 5.672 3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.172 7.221 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.908 6.955 0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.499 8.465 0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.297 7.682 -0.180 1.00 0.00 H new ATOM 540 N LYS A 36 -0.380 6.909 4.857 1.00 0.00 N ATOM 541 CA LYS A 36 0.033 6.205 6.075 1.00 0.00 C ATOM 542 C LYS A 36 -0.600 4.808 6.140 1.00 0.00 C ATOM 543 O LYS A 36 -1.658 4.558 5.545 1.00 0.00 O ATOM 544 CB LYS A 36 -0.366 7.026 7.328 1.00 0.00 C ATOM 545 CG LYS A 36 0.250 8.443 7.394 1.00 0.00 C ATOM 546 CD LYS A 36 -0.263 9.248 8.615 1.00 0.00 C ATOM 547 CE LYS A 36 0.306 10.673 8.664 1.00 0.00 C ATOM 548 NZ LYS A 36 -0.121 11.478 7.484 1.00 0.00 N ATOM 0 H LYS A 36 -1.067 7.644 5.025 1.00 0.00 H new ATOM 0 HA LYS A 36 1.117 6.091 6.052 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.452 7.115 7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.068 6.473 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.336 8.363 7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.012 8.984 6.478 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.351 9.296 8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.005 8.722 9.531 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.024 11.165 9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.395 10.629 8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.137 12.475 7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.353 11.121 6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.151 11.401 7.366 1.00 0.00 H new ATOM 562 N LEU A 37 0.040 3.935 6.923 1.00 0.00 N ATOM 563 CA LEU A 37 -0.310 2.518 7.039 1.00 0.00 C ATOM 564 C LEU A 37 -1.669 2.340 7.731 1.00 0.00 C ATOM 565 O LEU A 37 -2.492 1.545 7.270 1.00 0.00 O ATOM 566 CB LEU A 37 0.813 1.769 7.791 1.00 0.00 C ATOM 567 CG LEU A 37 0.642 0.236 7.982 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.385 -0.480 6.639 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.874 -0.354 8.712 1.00 0.00 C ATOM 0 H LEU A 37 0.833 4.200 7.507 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.404 2.091 6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.748 1.940 7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.920 2.222 8.777 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.238 0.068 8.603 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.271 -1.550 6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.525 -0.087 6.185 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.227 -0.309 5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.741 -1.428 8.839 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.771 -0.167 8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.978 0.117 9.689 1.00 0.00 H new ATOM 581 N ALA A 38 -1.892 3.082 8.837 1.00 0.00 N ATOM 582 CA ALA A 38 -3.222 3.207 9.481 1.00 0.00 C ATOM 583 C ALA A 38 -4.367 3.527 8.490 1.00 0.00 C ATOM 584 O ALA A 38 -5.488 3.025 8.651 1.00 0.00 O ATOM 585 CB ALA A 38 -3.161 4.283 10.569 1.00 0.00 C ATOM 0 H ALA A 38 -1.159 3.611 9.309 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.454 2.233 9.911 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.138 4.376 11.044 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.419 4.002 11.317 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.882 5.237 10.122 1.00 0.00 H new ATOM 591 N GLN A 39 -4.071 4.325 7.441 1.00 0.00 N ATOM 592 CA GLN A 39 -5.085 4.706 6.441 1.00 0.00 C ATOM 593 C GLN A 39 -5.171 3.622 5.353 1.00 0.00 C ATOM 594 O GLN A 39 -6.233 3.374 4.805 1.00 0.00 O ATOM 595 CB GLN A 39 -4.796 6.093 5.811 1.00 0.00 C ATOM 596 CG GLN A 39 -5.952 6.599 4.919 1.00 0.00 C ATOM 597 CD GLN A 39 -5.700 7.925 4.214 1.00 0.00 C ATOM 598 OE1 GLN A 39 -4.983 8.794 4.704 1.00 0.00 O ATOM 599 NE2 GLN A 39 -6.301 8.093 3.051 1.00 0.00 N ATOM 0 H GLN A 39 -3.144 4.714 7.268 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.045 4.786 6.952 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.613 6.817 6.605 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.884 6.034 5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.166 5.841 4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.846 6.698 5.534 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.890 7.353 2.670 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.176 8.963 2.533 1.00 0.00 H new ATOM 608 N LEU A 40 -4.046 2.931 5.106 1.00 0.00 N ATOM 609 CA LEU A 40 -3.994 1.808 4.148 1.00 0.00 C ATOM 610 C LEU A 40 -4.893 0.650 4.630 1.00 0.00 C ATOM 611 O LEU A 40 -5.382 -0.124 3.815 1.00 0.00 O ATOM 612 CB LEU A 40 -2.530 1.317 3.918 1.00 0.00 C ATOM 613 CG LEU A 40 -1.589 2.310 3.157 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.134 1.793 3.121 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.115 2.598 1.733 1.00 0.00 C ATOM 0 H LEU A 40 -3.154 3.130 5.558 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.371 2.167 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.085 1.096 4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.564 0.380 3.362 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.590 3.250 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.492 2.506 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.237 1.678 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.103 0.829 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.441 3.291 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.166 1.667 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.109 3.040 1.795 1.00 0.00 H new ATOM 627 N VAL A 41 -5.122 0.555 5.962 1.00 0.00 N ATOM 628 CA VAL A 41 -6.019 -0.457 6.553 1.00 0.00 C ATOM 629 C VAL A 41 -7.465 -0.233 6.084 1.00 0.00 C ATOM 630 O VAL A 41 -8.098 -1.156 5.545 1.00 0.00 O ATOM 631 CB VAL A 41 -5.945 -0.479 8.131 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.873 -1.564 8.725 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.494 -0.688 8.615 1.00 0.00 C ATOM 0 H VAL A 41 -4.692 1.174 6.649 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.678 -1.431 6.204 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.291 0.492 8.486 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.798 -1.552 9.812 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.903 -1.363 8.430 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.573 -2.543 8.352 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.472 -0.699 9.705 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.117 -1.637 8.235 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.867 0.125 8.248 1.00 0.00 H new ATOM 643 N LYS A 42 -7.947 1.006 6.235 1.00 0.00 N ATOM 644 CA LYS A 42 -9.334 1.355 5.911 1.00 0.00 C ATOM 645 C LYS A 42 -9.557 1.444 4.383 1.00 0.00 C ATOM 646 O LYS A 42 -10.520 0.868 3.874 1.00 0.00 O ATOM 647 CB LYS A 42 -9.775 2.650 6.644 1.00 0.00 C ATOM 648 CG LYS A 42 -8.885 3.885 6.406 1.00 0.00 C ATOM 649 CD LYS A 42 -9.416 5.160 7.099 1.00 0.00 C ATOM 650 CE LYS A 42 -10.804 5.572 6.590 1.00 0.00 C ATOM 651 NZ LYS A 42 -11.287 6.824 7.242 1.00 0.00 N ATOM 0 H LYS A 42 -7.392 1.788 6.582 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.972 0.549 6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.792 2.892 6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.806 2.448 7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.879 3.675 6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.807 4.067 5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.462 4.992 8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.715 5.978 6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.767 5.716 5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.514 4.767 6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.227 7.068 6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.347 6.679 8.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.623 7.599 7.040 1.00 0.00 H new ATOM 665 N GLU A 43 -8.657 2.143 3.649 1.00 0.00 N ATOM 666 CA GLU A 43 -8.776 2.308 2.179 1.00 0.00 C ATOM 667 C GLU A 43 -8.723 0.961 1.432 1.00 0.00 C ATOM 668 O GLU A 43 -9.568 0.686 0.584 1.00 0.00 O ATOM 669 CB GLU A 43 -7.663 3.241 1.630 1.00 0.00 C ATOM 670 CG GLU A 43 -7.583 4.641 2.269 1.00 0.00 C ATOM 671 CD GLU A 43 -8.928 5.389 2.410 1.00 0.00 C ATOM 672 OE1 GLU A 43 -9.666 5.507 1.417 1.00 0.00 O ATOM 673 OE2 GLU A 43 -9.240 5.862 3.516 1.00 0.00 O ATOM 0 H GLU A 43 -7.840 2.602 4.051 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.752 2.759 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.701 2.746 1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.812 3.361 0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.136 4.544 3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.907 5.255 1.673 1.00 0.00 H new ATOM 680 N CYS A 44 -7.719 0.135 1.756 1.00 0.00 N ATOM 681 CA CYS A 44 -7.506 -1.165 1.083 1.00 0.00 C ATOM 682 C CYS A 44 -8.408 -2.277 1.662 1.00 0.00 C ATOM 683 O CYS A 44 -8.490 -3.364 1.080 1.00 0.00 O ATOM 684 CB CYS A 44 -6.011 -1.546 1.155 1.00 0.00 C ATOM 685 SG CYS A 44 -4.902 -0.277 0.485 1.00 0.00 S ATOM 0 H CYS A 44 -7.035 0.341 2.484 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.793 -1.060 0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.744 -1.738 2.194 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.856 -2.477 0.609 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.761 -0.325 1.107 1.00 0.00 H new ATOM 691 N GLN A 45 -9.097 -1.970 2.784 1.00 0.00 N ATOM 692 CA GLN A 45 -10.063 -2.874 3.456 1.00 0.00 C ATOM 693 C GLN A 45 -9.421 -4.218 3.841 1.00 0.00 C ATOM 694 O GLN A 45 -9.994 -5.297 3.606 1.00 0.00 O ATOM 695 CB GLN A 45 -11.341 -3.086 2.588 1.00 0.00 C ATOM 696 CG GLN A 45 -12.128 -1.801 2.272 1.00 0.00 C ATOM 697 CD GLN A 45 -13.449 -2.034 1.516 1.00 0.00 C ATOM 698 OE1 GLN A 45 -14.399 -1.275 1.664 1.00 0.00 O ATOM 699 NE2 GLN A 45 -13.510 -3.063 0.678 1.00 0.00 N ATOM 0 H GLN A 45 -8.997 -1.072 3.258 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.366 -2.386 4.382 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.051 -3.558 1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.002 -3.782 3.104 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.345 -1.283 3.206 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.496 -1.139 1.680 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.706 -3.682 0.571 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.360 -3.234 0.142 1.00 0.00 H new ATOM 708 N ALA A 46 -8.233 -4.140 4.439 1.00 0.00 N ATOM 709 CA ALA A 46 -7.492 -5.321 4.902 1.00 0.00 C ATOM 710 C ALA A 46 -6.676 -4.993 6.165 1.00 0.00 C ATOM 711 O ALA A 46 -6.222 -3.856 6.326 1.00 0.00 O ATOM 712 CB ALA A 46 -6.569 -5.846 3.798 1.00 0.00 C ATOM 0 H ALA A 46 -7.754 -3.258 4.618 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.216 -6.098 5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.029 -6.721 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.164 -6.122 2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.857 -5.069 3.520 1.00 0.00 H new ATOM 718 N PRO A 47 -6.507 -5.983 7.098 1.00 0.00 N ATOM 719 CA PRO A 47 -5.617 -5.846 8.266 1.00 0.00 C ATOM 720 C PRO A 47 -4.174 -5.467 7.882 1.00 0.00 C ATOM 721 O PRO A 47 -3.688 -5.832 6.804 1.00 0.00 O ATOM 722 CB PRO A 47 -5.672 -7.254 8.924 1.00 0.00 C ATOM 723 CG PRO A 47 -7.006 -7.800 8.516 1.00 0.00 C ATOM 724 CD PRO A 47 -7.215 -7.291 7.108 1.00 0.00 C ATOM 0 HA PRO A 47 -5.936 -5.041 8.928 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.858 -7.889 8.574 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.583 -7.190 10.008 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.015 -8.889 8.549 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.796 -7.455 9.183 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.801 -7.976 6.369 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.274 -7.175 6.877 1.00 0.00 H new ATOM 732 N LYS A 48 -3.513 -4.745 8.793 1.00 0.00 N ATOM 733 CA LYS A 48 -2.100 -4.343 8.685 1.00 0.00 C ATOM 734 C LYS A 48 -1.178 -5.545 8.349 1.00 0.00 C ATOM 735 O LYS A 48 -0.219 -5.404 7.601 1.00 0.00 O ATOM 736 CB LYS A 48 -1.681 -3.681 10.014 1.00 0.00 C ATOM 737 CG LYS A 48 -0.219 -3.216 10.067 1.00 0.00 C ATOM 738 CD LYS A 48 0.161 -2.602 11.429 1.00 0.00 C ATOM 739 CE LYS A 48 -0.639 -1.330 11.765 1.00 0.00 C ATOM 740 NZ LYS A 48 -0.279 -0.789 13.110 1.00 0.00 N ATOM 0 H LYS A 48 -3.955 -4.413 9.650 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.993 -3.635 7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.328 -2.823 10.196 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.853 -4.388 10.826 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.435 -4.063 9.860 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.047 -2.481 9.281 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.001 -3.343 12.212 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.225 -2.365 11.429 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.451 -0.571 11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.706 -1.553 11.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.838 0.067 13.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.482 -1.504 13.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.734 -0.553 13.129 1.00 0.00 H new ATOM 754 N ARG A 49 -1.538 -6.724 8.888 1.00 0.00 N ATOM 755 CA ARG A 49 -0.863 -8.005 8.605 1.00 0.00 C ATOM 756 C ARG A 49 -0.771 -8.290 7.082 1.00 0.00 C ATOM 757 O ARG A 49 0.313 -8.591 6.564 1.00 0.00 O ATOM 758 CB ARG A 49 -1.633 -9.138 9.314 1.00 0.00 C ATOM 759 CG ARG A 49 -1.027 -10.539 9.134 1.00 0.00 C ATOM 760 CD ARG A 49 -1.954 -11.636 9.665 1.00 0.00 C ATOM 761 NE ARG A 49 -3.258 -11.595 9.000 1.00 0.00 N ATOM 762 CZ ARG A 49 -4.331 -12.334 9.316 1.00 0.00 C ATOM 763 NH1 ARG A 49 -4.304 -13.218 10.325 1.00 0.00 N ATOM 764 NH2 ARG A 49 -5.434 -12.169 8.606 1.00 0.00 N ATOM 0 H ARG A 49 -2.316 -6.816 9.541 1.00 0.00 H new ATOM 0 HA ARG A 49 0.159 -7.948 8.980 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.683 -8.913 10.379 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.658 -9.150 8.942 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.826 -10.714 8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.070 -10.590 9.653 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.494 -12.612 9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.087 -11.515 10.740 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.360 -10.942 8.223 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.453 -13.341 10.873 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.135 -13.767 10.544 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.452 -11.494 7.842 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.267 -12.717 8.823 1.00 0.00 H new ATOM 778 N GLU A 50 -1.910 -8.144 6.385 1.00 0.00 N ATOM 779 CA GLU A 50 -1.981 -8.329 4.922 1.00 0.00 C ATOM 780 C GLU A 50 -1.179 -7.255 4.182 1.00 0.00 C ATOM 781 O GLU A 50 -0.384 -7.563 3.290 1.00 0.00 O ATOM 782 CB GLU A 50 -3.455 -8.316 4.433 1.00 0.00 C ATOM 783 CG GLU A 50 -4.141 -9.686 4.430 1.00 0.00 C ATOM 784 CD GLU A 50 -4.260 -10.332 5.827 1.00 0.00 C ATOM 785 OE1 GLU A 50 -5.135 -9.930 6.609 1.00 0.00 O ATOM 786 OE2 GLU A 50 -3.484 -11.251 6.144 1.00 0.00 O ATOM 0 H GLU A 50 -2.802 -7.896 6.813 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.542 -9.301 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.028 -7.639 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.485 -7.908 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.139 -9.580 4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.585 -10.358 3.777 1.00 0.00 H new ATOM 793 N LEU A 51 -1.387 -6.009 4.596 1.00 0.00 N ATOM 794 CA LEU A 51 -0.819 -4.837 3.924 1.00 0.00 C ATOM 795 C LEU A 51 0.706 -4.886 3.904 1.00 0.00 C ATOM 796 O LEU A 51 1.271 -4.938 2.843 1.00 0.00 O ATOM 797 CB LEU A 51 -1.291 -3.561 4.627 1.00 0.00 C ATOM 798 CG LEU A 51 -2.823 -3.394 4.696 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.192 -2.284 5.663 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.432 -3.155 3.304 1.00 0.00 C ATOM 0 H LEU A 51 -1.956 -5.779 5.410 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.166 -4.839 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.892 -3.552 5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.868 -2.700 4.110 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.247 -4.326 5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.276 -2.179 5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.817 -2.528 6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.748 -1.347 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.512 -3.042 3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.007 -2.249 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.208 -4.004 2.658 1.00 0.00 H new ATOM 812 N ASN A 52 1.319 -4.947 5.101 1.00 0.00 N ATOM 813 CA ASN A 52 2.793 -4.887 5.298 1.00 0.00 C ATOM 814 C ASN A 52 3.531 -5.916 4.437 1.00 0.00 C ATOM 815 O ASN A 52 4.413 -5.552 3.653 1.00 0.00 O ATOM 816 CB ASN A 52 3.160 -5.105 6.794 1.00 0.00 C ATOM 817 CG ASN A 52 2.648 -4.014 7.728 1.00 0.00 C ATOM 818 OD1 ASN A 52 1.674 -3.335 7.429 1.00 0.00 O ATOM 819 ND2 ASN A 52 3.277 -3.853 8.883 1.00 0.00 N ATOM 0 H ASN A 52 0.803 -5.041 5.976 1.00 0.00 H new ATOM 0 HA ASN A 52 3.111 -3.892 4.986 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.758 -6.064 7.119 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.244 -5.167 6.885 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.952 -3.150 9.547 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.086 -4.432 9.108 1.00 0.00 H new ATOM 826 N GLN A 53 3.104 -7.185 4.552 1.00 0.00 N ATOM 827 CA GLN A 53 3.716 -8.314 3.832 1.00 0.00 C ATOM 828 C GLN A 53 3.655 -8.113 2.301 1.00 0.00 C ATOM 829 O GLN A 53 4.628 -8.433 1.601 1.00 0.00 O ATOM 830 CB GLN A 53 3.065 -9.659 4.271 1.00 0.00 C ATOM 831 CG GLN A 53 3.375 -10.069 5.726 1.00 0.00 C ATOM 832 CD GLN A 53 2.746 -11.415 6.138 1.00 0.00 C ATOM 833 OE1 GLN A 53 3.341 -12.479 5.968 1.00 0.00 O ATOM 834 NE2 GLN A 53 1.549 -11.375 6.690 1.00 0.00 N ATOM 0 H GLN A 53 2.323 -7.457 5.149 1.00 0.00 H new ATOM 0 HA GLN A 53 4.772 -8.354 4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.984 -9.583 4.150 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.406 -10.450 3.603 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.456 -10.128 5.855 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.016 -9.289 6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.077 -10.480 6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.095 -12.239 6.987 1.00 0.00 H new ATOM 843 N VAL A 54 2.546 -7.528 1.794 1.00 0.00 N ATOM 844 CA VAL A 54 2.437 -7.155 0.370 1.00 0.00 C ATOM 845 C VAL A 54 3.319 -5.912 0.072 1.00 0.00 C ATOM 846 O VAL A 54 4.012 -5.881 -0.927 1.00 0.00 O ATOM 847 CB VAL A 54 0.941 -6.881 -0.062 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.845 -6.437 -1.541 1.00 0.00 C ATOM 849 CG2 VAL A 54 0.047 -8.117 0.188 1.00 0.00 C ATOM 0 H VAL A 54 1.719 -7.306 2.349 1.00 0.00 H new ATOM 0 HA VAL A 54 2.794 -8.001 -0.216 1.00 0.00 H new ATOM 0 HB VAL A 54 0.576 -6.063 0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.199 -6.258 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.416 -5.520 -1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.249 -7.220 -2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.975 -7.895 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.424 -8.962 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.060 -8.367 1.249 1.00 0.00 H new ATOM 859 N LEU A 55 3.314 -4.917 0.968 1.00 0.00 N ATOM 860 CA LEU A 55 4.023 -3.632 0.793 1.00 0.00 C ATOM 861 C LEU A 55 5.543 -3.784 0.616 1.00 0.00 C ATOM 862 O LEU A 55 6.134 -3.036 -0.161 1.00 0.00 O ATOM 863 CB LEU A 55 3.707 -2.692 1.994 1.00 0.00 C ATOM 864 CG LEU A 55 2.298 -2.030 1.975 1.00 0.00 C ATOM 865 CD1 LEU A 55 1.915 -1.492 3.367 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.234 -0.919 0.914 1.00 0.00 C ATOM 0 H LEU A 55 2.810 -4.978 1.852 1.00 0.00 H new ATOM 0 HA LEU A 55 3.656 -3.195 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.808 -3.264 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.459 -1.904 2.023 1.00 0.00 H new ATOM 0 HG LEU A 55 1.570 -2.796 1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.926 -1.036 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.903 -2.313 4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.645 -0.746 3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.241 -0.470 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.979 -0.156 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.437 -1.343 -0.069 1.00 0.00 H new ATOM 878 N TYR A 56 6.185 -4.736 1.325 1.00 0.00 N ATOM 879 CA TYR A 56 7.633 -4.987 1.161 1.00 0.00 C ATOM 880 C TYR A 56 7.913 -5.696 -0.171 1.00 0.00 C ATOM 881 O TYR A 56 8.989 -5.523 -0.751 1.00 0.00 O ATOM 882 CB TYR A 56 8.184 -5.810 2.355 1.00 0.00 C ATOM 883 CG TYR A 56 8.110 -5.076 3.713 1.00 0.00 C ATOM 884 CD1 TYR A 56 8.975 -4.018 4.011 1.00 0.00 C ATOM 885 CD2 TYR A 56 7.186 -5.438 4.696 1.00 0.00 C ATOM 886 CE1 TYR A 56 8.904 -3.350 5.224 1.00 0.00 C ATOM 887 CE2 TYR A 56 7.108 -4.769 5.907 1.00 0.00 C ATOM 888 CZ TYR A 56 7.975 -3.732 6.170 1.00 0.00 C ATOM 889 OH TYR A 56 7.893 -3.061 7.376 1.00 0.00 O ATOM 0 H TYR A 56 5.729 -5.338 2.010 1.00 0.00 H new ATOM 0 HA TYR A 56 8.148 -4.027 1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.626 -6.744 2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.222 -6.074 2.153 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.712 -3.716 3.282 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.514 -6.262 4.507 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.576 -2.530 5.429 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.371 -5.059 6.641 1.00 0.00 H new ATOM 0 HH TYR A 56 7.185 -3.459 7.924 1.00 0.00 H new ATOM 899 N ARG A 57 6.932 -6.464 -0.675 1.00 0.00 N ATOM 900 CA ARG A 57 7.064 -7.143 -1.974 1.00 0.00 C ATOM 901 C ARG A 57 7.008 -6.070 -3.081 1.00 0.00 C ATOM 902 O ARG A 57 7.838 -6.055 -3.984 1.00 0.00 O ATOM 903 CB ARG A 57 5.971 -8.262 -2.169 1.00 0.00 C ATOM 904 CG ARG A 57 4.794 -7.923 -3.124 1.00 0.00 C ATOM 905 CD ARG A 57 3.821 -9.079 -3.344 1.00 0.00 C ATOM 906 NE ARG A 57 2.797 -8.758 -4.355 1.00 0.00 N ATOM 907 CZ ARG A 57 2.071 -9.670 -5.025 1.00 0.00 C ATOM 908 NH1 ARG A 57 2.257 -10.972 -4.818 1.00 0.00 N ATOM 909 NH2 ARG A 57 1.178 -9.275 -5.918 1.00 0.00 N ATOM 0 H ARG A 57 6.042 -6.629 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 57 8.020 -7.665 -2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.465 -9.160 -2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.557 -8.508 -1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.246 -7.072 -2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.199 -7.614 -4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.375 -9.964 -3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.334 -9.326 -2.401 1.00 0.00 H new ATOM 0 HE ARG A 57 2.627 -7.774 -4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.956 -11.287 -4.145 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.700 -11.655 -5.332 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.041 -8.280 -6.097 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.626 -9.965 -6.427 1.00 0.00 H new ATOM 923 N MET A 58 6.033 -5.143 -2.929 1.00 0.00 N ATOM 924 CA MET A 58 5.773 -4.056 -3.870 1.00 0.00 C ATOM 925 C MET A 58 6.930 -3.056 -3.890 1.00 0.00 C ATOM 926 O MET A 58 7.274 -2.549 -4.940 1.00 0.00 O ATOM 927 CB MET A 58 4.458 -3.327 -3.493 1.00 0.00 C ATOM 928 CG MET A 58 3.210 -4.200 -3.523 1.00 0.00 C ATOM 929 SD MET A 58 1.733 -3.305 -3.005 1.00 0.00 S ATOM 930 CE MET A 58 1.558 -2.113 -4.331 1.00 0.00 C ATOM 0 H MET A 58 5.399 -5.140 -2.130 1.00 0.00 H new ATOM 0 HA MET A 58 5.675 -4.489 -4.866 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.566 -2.907 -2.493 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.315 -2.490 -4.176 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.063 -4.585 -4.532 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.357 -5.062 -2.872 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.468 -1.111 -3.910 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.434 -2.157 -4.978 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.666 -2.344 -4.913 1.00 0.00 H new ATOM 940 N LYS A 59 7.525 -2.785 -2.716 1.00 0.00 N ATOM 941 CA LYS A 59 8.669 -1.865 -2.598 1.00 0.00 C ATOM 942 C LYS A 59 9.892 -2.436 -3.334 1.00 0.00 C ATOM 943 O LYS A 59 10.617 -1.701 -4.011 1.00 0.00 O ATOM 944 CB LYS A 59 8.991 -1.584 -1.112 1.00 0.00 C ATOM 945 CG LYS A 59 10.074 -0.503 -0.895 1.00 0.00 C ATOM 946 CD LYS A 59 10.291 -0.145 0.590 1.00 0.00 C ATOM 947 CE LYS A 59 10.659 -1.352 1.460 1.00 0.00 C ATOM 948 NZ LYS A 59 11.900 -2.031 0.986 1.00 0.00 N ATOM 0 H LYS A 59 7.230 -3.193 -1.829 1.00 0.00 H new ATOM 0 HA LYS A 59 8.405 -0.917 -3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.077 -1.274 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.318 -2.511 -0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.016 -0.852 -1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.793 0.397 -1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.082 0.601 0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.383 0.313 0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.796 -1.026 2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.834 -2.064 1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.120 -2.831 1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.756 -2.381 0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.691 -1.356 0.996 1.00 0.00 H new ATOM 962 N LYS A 60 10.072 -3.761 -3.232 1.00 0.00 N ATOM 963 CA LYS A 60 11.115 -4.489 -3.970 1.00 0.00 C ATOM 964 C LYS A 60 10.824 -4.467 -5.494 1.00 0.00 C ATOM 965 O LYS A 60 11.742 -4.523 -6.315 1.00 0.00 O ATOM 966 CB LYS A 60 11.187 -5.941 -3.427 1.00 0.00 C ATOM 967 CG LYS A 60 12.298 -6.814 -4.047 1.00 0.00 C ATOM 968 CD LYS A 60 12.322 -8.253 -3.476 1.00 0.00 C ATOM 969 CE LYS A 60 10.999 -9.004 -3.686 1.00 0.00 C ATOM 970 NZ LYS A 60 10.638 -9.117 -5.126 1.00 0.00 N ATOM 0 H LYS A 60 9.499 -4.358 -2.636 1.00 0.00 H new ATOM 0 HA LYS A 60 12.080 -4.005 -3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.336 -5.903 -2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.226 -6.426 -3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.157 -6.859 -5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.265 -6.342 -3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.130 -8.812 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.544 -8.211 -2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.077 -10.001 -3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.201 -8.487 -3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.765 -9.675 -5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.487 -8.167 -5.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.409 -9.588 -5.641 1.00 0.00 H new ATOM 984 N GLU A 61 9.530 -4.360 -5.853 1.00 0.00 N ATOM 985 CA GLU A 61 9.066 -4.258 -7.255 1.00 0.00 C ATOM 986 C GLU A 61 8.948 -2.792 -7.731 1.00 0.00 C ATOM 987 O GLU A 61 8.388 -2.544 -8.803 1.00 0.00 O ATOM 988 CB GLU A 61 7.690 -4.960 -7.404 1.00 0.00 C ATOM 989 CG GLU A 61 7.711 -6.460 -7.108 1.00 0.00 C ATOM 990 CD GLU A 61 6.319 -7.096 -7.230 1.00 0.00 C ATOM 991 OE1 GLU A 61 5.569 -7.108 -6.237 1.00 0.00 O ATOM 992 OE2 GLU A 61 5.966 -7.571 -8.323 1.00 0.00 O ATOM 0 H GLU A 61 8.769 -4.342 -5.174 1.00 0.00 H new ATOM 0 HA GLU A 61 9.813 -4.749 -7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.976 -4.480 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.326 -4.808 -8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.396 -6.955 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.097 -6.624 -6.102 1.00 0.00 H new ATOM 999 N LEU A 62 9.438 -1.823 -6.917 1.00 0.00 N ATOM 1000 CA LEU A 62 9.431 -0.366 -7.259 1.00 0.00 C ATOM 1001 C LEU A 62 7.988 0.198 -7.407 1.00 0.00 C ATOM 1002 O LEU A 62 7.786 1.274 -7.978 1.00 0.00 O ATOM 1003 CB LEU A 62 10.293 -0.073 -8.546 1.00 0.00 C ATOM 1004 CG LEU A 62 11.856 -0.140 -8.404 1.00 0.00 C ATOM 1005 CD1 LEU A 62 12.363 0.838 -7.322 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.355 -1.581 -8.155 1.00 0.00 C ATOM 0 H LEU A 62 9.850 -2.023 -6.005 1.00 0.00 H new ATOM 0 HA LEU A 62 9.892 0.156 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.995 -0.782 -9.319 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.031 0.921 -8.907 1.00 0.00 H new ATOM 0 HG LEU A 62 12.280 0.177 -9.357 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.448 0.768 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.083 1.856 -7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.916 0.581 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.441 -1.579 -8.063 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.914 -1.965 -7.235 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.063 -2.217 -8.991 1.00 0.00 H new ATOM 1018 N LYS A 63 6.998 -0.545 -6.878 1.00 0.00 N ATOM 1019 CA LYS A 63 5.577 -0.167 -6.907 1.00 0.00 C ATOM 1020 C LYS A 63 5.237 0.807 -5.783 1.00 0.00 C ATOM 1021 O LYS A 63 4.364 1.678 -5.939 1.00 0.00 O ATOM 1022 CB LYS A 63 4.693 -1.427 -6.775 1.00 0.00 C ATOM 1023 CG LYS A 63 4.838 -2.440 -7.918 1.00 0.00 C ATOM 1024 CD LYS A 63 3.864 -3.621 -7.751 1.00 0.00 C ATOM 1025 CE LYS A 63 4.043 -4.667 -8.848 1.00 0.00 C ATOM 1026 NZ LYS A 63 3.112 -5.811 -8.672 1.00 0.00 N ATOM 0 H LYS A 63 7.168 -1.437 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 63 5.383 0.325 -7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.933 -1.925 -5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.650 -1.117 -6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.651 -1.945 -8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.862 -2.813 -7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.021 -4.086 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.839 -3.251 -7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.874 -4.206 -9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.071 -5.030 -8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.330 -6.547 -9.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.220 -6.202 -7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.133 -5.486 -8.805 1.00 0.00 H new ATOM 1040 N VAL A 64 5.896 0.627 -4.627 1.00 0.00 N ATOM 1041 CA VAL A 64 5.740 1.519 -3.458 1.00 0.00 C ATOM 1042 C VAL A 64 7.118 1.896 -2.898 1.00 0.00 C ATOM 1043 O VAL A 64 8.131 1.263 -3.225 1.00 0.00 O ATOM 1044 CB VAL A 64 4.835 0.907 -2.313 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.449 0.509 -2.838 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.508 -0.271 -1.610 1.00 0.00 C ATOM 0 H VAL A 64 6.552 -0.139 -4.473 1.00 0.00 H new ATOM 0 HA VAL A 64 5.223 2.410 -3.815 1.00 0.00 H new ATOM 0 HB VAL A 64 4.701 1.695 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.857 0.093 -2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.946 1.388 -3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.558 -0.238 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.848 -0.656 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.713 -1.058 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.444 0.060 -1.160 1.00 0.00 H new ATOM 1056 N SER A 65 7.164 2.957 -2.090 1.00 0.00 N ATOM 1057 CA SER A 65 8.383 3.394 -1.398 1.00 0.00 C ATOM 1058 C SER A 65 8.075 3.629 0.082 1.00 0.00 C ATOM 1059 O SER A 65 7.008 4.114 0.418 1.00 0.00 O ATOM 1060 CB SER A 65 8.911 4.697 -2.048 1.00 0.00 C ATOM 1061 OG SER A 65 9.064 4.549 -3.449 1.00 0.00 O ATOM 0 H SER A 65 6.352 3.543 -1.895 1.00 0.00 H new ATOM 0 HA SER A 65 9.148 2.622 -1.483 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.221 5.515 -1.840 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.868 4.966 -1.602 1.00 0.00 H new ATOM 0 HG SER A 65 9.397 5.387 -3.832 1.00 0.00 H new ATOM 1067 N LEU A 66 9.013 3.291 0.964 1.00 0.00 N ATOM 1068 CA LEU A 66 8.869 3.553 2.400 1.00 0.00 C ATOM 1069 C LEU A 66 9.513 4.918 2.711 1.00 0.00 C ATOM 1070 O LEU A 66 10.743 5.035 2.759 1.00 0.00 O ATOM 1071 CB LEU A 66 9.526 2.414 3.220 1.00 0.00 C ATOM 1072 CG LEU A 66 9.325 2.477 4.764 1.00 0.00 C ATOM 1073 CD1 LEU A 66 7.840 2.333 5.137 1.00 0.00 C ATOM 1074 CD2 LEU A 66 10.190 1.416 5.471 1.00 0.00 C ATOM 0 H LEU A 66 9.888 2.832 0.710 1.00 0.00 H new ATOM 0 HA LEU A 66 7.816 3.584 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.133 1.463 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.596 2.415 3.013 1.00 0.00 H new ATOM 0 HG LEU A 66 9.653 3.458 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.731 2.381 6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.270 3.141 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.466 1.375 4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.034 1.478 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.908 0.423 5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.241 1.595 5.246 1.00 0.00 H new ATOM 1086 N THR A 67 8.674 5.948 2.852 1.00 0.00 N ATOM 1087 CA THR A 67 9.111 7.336 3.104 1.00 0.00 C ATOM 1088 C THR A 67 9.340 7.597 4.607 1.00 0.00 C ATOM 1089 O THR A 67 10.278 8.308 4.991 1.00 0.00 O ATOM 1090 CB THR A 67 8.053 8.334 2.539 1.00 0.00 C ATOM 1091 OG1 THR A 67 6.744 7.990 3.031 1.00 0.00 O ATOM 1092 CG2 THR A 67 8.025 8.332 1.004 1.00 0.00 C ATOM 0 H THR A 67 7.661 5.847 2.795 1.00 0.00 H new ATOM 0 HA THR A 67 10.063 7.487 2.595 1.00 0.00 H new ATOM 0 HB THR A 67 8.336 9.332 2.875 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.084 8.621 2.674 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.275 9.041 0.653 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.004 8.621 0.622 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.776 7.333 0.646 1.00 0.00 H new ATOM 1100 N SER A 68 8.485 6.999 5.441 1.00 0.00 N ATOM 1101 CA SER A 68 8.524 7.125 6.901 1.00 0.00 C ATOM 1102 C SER A 68 8.202 5.723 7.469 1.00 0.00 C ATOM 1103 O SER A 68 7.573 4.955 6.756 1.00 0.00 O ATOM 1104 CB SER A 68 7.495 8.199 7.347 1.00 0.00 C ATOM 1105 OG SER A 68 7.627 8.534 8.709 1.00 0.00 O ATOM 0 H SER A 68 7.728 6.399 5.112 1.00 0.00 H new ATOM 0 HA SER A 68 9.496 7.451 7.271 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.623 9.096 6.741 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.486 7.831 7.162 1.00 0.00 H new ATOM 0 HG SER A 68 8.460 9.031 8.844 1.00 0.00 H new ATOM 1111 N PRO A 69 8.640 5.354 8.731 1.00 0.00 N ATOM 1112 CA PRO A 69 8.387 4.028 9.384 1.00 0.00 C ATOM 1113 C PRO A 69 7.110 3.257 8.939 1.00 0.00 C ATOM 1114 O PRO A 69 7.209 2.138 8.449 1.00 0.00 O ATOM 1115 CB PRO A 69 8.313 4.450 10.863 1.00 0.00 C ATOM 1116 CG PRO A 69 9.388 5.501 10.994 1.00 0.00 C ATOM 1117 CD PRO A 69 9.484 6.193 9.635 1.00 0.00 C ATOM 0 HA PRO A 69 9.155 3.300 9.121 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.331 4.849 11.116 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.495 3.607 11.529 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.138 6.217 11.777 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.341 5.049 11.268 1.00 0.00 H new ATOM 0 HD2 PRO A 69 9.116 7.218 9.684 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.515 6.241 9.285 1.00 0.00 H new ATOM 1125 N ALA A 70 5.930 3.866 9.119 1.00 0.00 N ATOM 1126 CA ALA A 70 4.641 3.289 8.678 1.00 0.00 C ATOM 1127 C ALA A 70 3.931 4.217 7.664 1.00 0.00 C ATOM 1128 O ALA A 70 2.727 4.454 7.762 1.00 0.00 O ATOM 1129 CB ALA A 70 3.766 3.048 9.922 1.00 0.00 C ATOM 0 H ALA A 70 5.836 4.774 9.574 1.00 0.00 H new ATOM 0 HA ALA A 70 4.818 2.343 8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.810 2.622 9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.273 2.357 10.595 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.595 3.994 10.435 1.00 0.00 H new ATOM 1135 N THR A 71 4.687 4.790 6.719 1.00 0.00 N ATOM 1136 CA THR A 71 4.132 5.608 5.627 1.00 0.00 C ATOM 1137 C THR A 71 4.732 5.158 4.289 1.00 0.00 C ATOM 1138 O THR A 71 5.965 5.106 4.117 1.00 0.00 O ATOM 1139 CB THR A 71 4.370 7.135 5.856 1.00 0.00 C ATOM 1140 OG1 THR A 71 3.872 7.500 7.146 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.684 8.016 4.788 1.00 0.00 C ATOM 0 H THR A 71 5.703 4.701 6.688 1.00 0.00 H new ATOM 0 HA THR A 71 3.053 5.457 5.609 1.00 0.00 H new ATOM 0 HB THR A 71 5.444 7.308 5.783 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.020 8.457 7.295 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.885 9.066 4.999 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.074 7.763 3.802 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.608 7.841 4.808 1.00 0.00 H new ATOM 1149 N TRP A 72 3.845 4.857 3.342 1.00 0.00 N ATOM 1150 CA TRP A 72 4.190 4.267 2.050 1.00 0.00 C ATOM 1151 C TRP A 72 3.723 5.200 0.935 1.00 0.00 C ATOM 1152 O TRP A 72 2.649 5.781 1.030 1.00 0.00 O ATOM 1153 CB TRP A 72 3.531 2.876 1.915 1.00 0.00 C ATOM 1154 CG TRP A 72 3.983 1.884 2.968 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.467 1.710 4.229 1.00 0.00 C ATOM 1156 CD2 TRP A 72 5.047 0.936 2.842 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.139 0.706 4.878 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.115 0.217 4.050 1.00 0.00 C ATOM 1159 CE3 TRP A 72 5.951 0.632 1.825 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 6.041 -0.803 4.256 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 6.867 -0.376 2.030 1.00 0.00 C ATOM 1162 CH2 TRP A 72 6.911 -1.079 3.237 1.00 0.00 C ATOM 0 H TRP A 72 2.844 5.020 3.454 1.00 0.00 H new ATOM 0 HA TRP A 72 5.270 4.139 1.976 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.449 2.989 1.976 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.755 2.472 0.928 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.651 2.280 4.648 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.944 0.377 5.823 1.00 0.00 H new ATOM 0 HE3 TRP A 72 5.933 1.177 0.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 6.071 -1.354 5.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 7.564 -0.628 1.244 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.648 -1.857 3.368 1.00 0.00 H new ATOM 1173 N CYS A 73 4.525 5.336 -0.118 1.00 0.00 N ATOM 1174 CA CYS A 73 4.264 6.255 -1.229 1.00 0.00 C ATOM 1175 C CYS A 73 4.100 5.482 -2.517 1.00 0.00 C ATOM 1176 O CYS A 73 4.504 4.318 -2.602 1.00 0.00 O ATOM 1177 CB CYS A 73 5.428 7.255 -1.378 1.00 0.00 C ATOM 1178 SG CYS A 73 5.215 8.432 -2.729 1.00 0.00 S ATOM 0 H CYS A 73 5.388 4.804 -0.228 1.00 0.00 H new ATOM 0 HA CYS A 73 3.345 6.801 -1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.542 7.806 -0.444 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.353 6.700 -1.536 1.00 0.00 H new ATOM 0 HG CYS A 73 6.240 9.231 -2.774 1.00 0.00 H new ATOM 1184 N LEU A 74 3.513 6.138 -3.527 1.00 0.00 N ATOM 1185 CA LEU A 74 3.431 5.577 -4.870 1.00 0.00 C ATOM 1186 C LEU A 74 4.833 5.554 -5.489 1.00 0.00 C ATOM 1187 O LEU A 74 5.380 6.610 -5.816 1.00 0.00 O ATOM 1188 CB LEU A 74 2.459 6.373 -5.781 1.00 0.00 C ATOM 1189 CG LEU A 74 2.211 5.735 -7.182 1.00 0.00 C ATOM 1190 CD1 LEU A 74 1.576 4.334 -7.059 1.00 0.00 C ATOM 1191 CD2 LEU A 74 1.368 6.660 -8.073 1.00 0.00 C ATOM 0 H LEU A 74 3.088 7.061 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 74 3.036 4.564 -4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.502 6.474 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.854 7.379 -5.920 1.00 0.00 H new ATOM 0 HG LEU A 74 3.181 5.610 -7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.417 3.918 -8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.242 3.681 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.620 4.412 -6.541 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.212 6.188 -9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.404 6.842 -7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.889 7.607 -8.210 1.00 0.00 H new ATOM 1203 N GLY A 75 5.425 4.360 -5.568 1.00 0.00 N ATOM 1204 CA GLY A 75 6.673 4.168 -6.289 1.00 0.00 C ATOM 1205 C GLY A 75 6.419 4.130 -7.787 1.00 0.00 C ATOM 1206 O GLY A 75 7.150 4.741 -8.570 1.00 0.00 O ATOM 0 H GLY A 75 5.054 3.513 -5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.366 4.976 -6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.145 3.239 -5.970 1.00 0.00 H new ATOM 1210 N GLY A 76 5.353 3.403 -8.165 1.00 0.00 N ATOM 1211 CA GLY A 76 4.908 3.300 -9.542 1.00 0.00 C ATOM 1212 C GLY A 76 3.839 2.226 -9.723 1.00 0.00 C ATOM 1213 O GLY A 76 4.120 1.042 -9.530 1.00 0.00 O ATOM 0 H GLY A 76 4.780 2.871 -7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.513 4.262 -9.867 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.761 3.073 -10.182 1.00 0.00 H new ATOM 1217 N THR A 77 2.603 2.641 -10.069 1.00 0.00 N ATOM 1218 CA THR A 77 1.535 1.722 -10.487 1.00 0.00 C ATOM 1219 C THR A 77 1.927 1.070 -11.823 1.00 0.00 C ATOM 1220 O THR A 77 1.774 1.692 -12.887 1.00 0.00 O ATOM 1221 CB THR A 77 0.174 2.474 -10.629 1.00 0.00 C ATOM 1222 OG1 THR A 77 -0.168 3.085 -9.391 1.00 0.00 O ATOM 1223 CG2 THR A 77 -0.978 1.553 -11.074 1.00 0.00 C ATOM 0 H THR A 77 2.322 3.622 -10.065 1.00 0.00 H new ATOM 0 HA THR A 77 1.411 0.952 -9.725 1.00 0.00 H new ATOM 0 HB THR A 77 0.309 3.226 -11.407 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.757 3.851 -9.556 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.897 2.133 -11.155 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.740 1.114 -12.043 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.113 0.759 -10.340 1.00 0.00 H new ATOM 1231 N ASP A 78 2.487 -0.151 -11.727 1.00 0.00 N ATOM 1232 CA ASP A 78 3.026 -0.901 -12.869 1.00 0.00 C ATOM 1233 C ASP A 78 4.245 -0.139 -13.461 1.00 0.00 C ATOM 1234 O ASP A 78 4.102 0.599 -14.438 1.00 0.00 O ATOM 1235 CB ASP A 78 1.910 -1.192 -13.926 1.00 0.00 C ATOM 1236 CG ASP A 78 2.365 -2.094 -15.080 1.00 0.00 C ATOM 1237 OD1 ASP A 78 2.290 -3.333 -14.946 1.00 0.00 O ATOM 1238 OD2 ASP A 78 2.780 -1.576 -16.138 1.00 0.00 O ATOM 0 H ASP A 78 2.577 -0.648 -10.841 1.00 0.00 H new ATOM 0 HA ASP A 78 3.381 -1.876 -12.535 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.062 -1.660 -13.425 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.556 -0.246 -14.336 1.00 0.00 H new ATOM 1243 N PRO A 79 5.456 -0.237 -12.803 1.00 0.00 N ATOM 1244 CA PRO A 79 6.669 0.489 -13.252 1.00 0.00 C ATOM 1245 C PRO A 79 7.320 -0.148 -14.501 1.00 0.00 C ATOM 1246 O PRO A 79 7.078 -1.311 -14.812 1.00 0.00 O ATOM 1247 CB PRO A 79 7.597 0.402 -12.012 1.00 0.00 C ATOM 1248 CG PRO A 79 7.225 -0.885 -11.351 1.00 0.00 C ATOM 1249 CD PRO A 79 5.733 -1.051 -11.576 1.00 0.00 C ATOM 0 HA PRO A 79 6.454 1.510 -13.566 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.648 0.409 -12.302 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.445 1.249 -11.343 1.00 0.00 H new ATOM 0 HG2 PRO A 79 7.780 -1.719 -11.780 1.00 0.00 H new ATOM 0 HG3 PRO A 79 7.459 -0.860 -10.287 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.466 -2.097 -11.723 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.159 -0.693 -10.722 1.00 0.00 H new ATOM 1257 N GLU A 80 8.126 0.648 -15.209 1.00 0.00 N ATOM 1258 CA GLU A 80 8.855 0.219 -16.418 1.00 0.00 C ATOM 1259 C GLU A 80 10.195 -0.449 -16.019 1.00 0.00 C ATOM 1260 O GLU A 80 11.143 0.269 -15.642 1.00 0.00 O ATOM 1261 CB GLU A 80 9.081 1.447 -17.356 1.00 0.00 C ATOM 1262 CG GLU A 80 7.784 2.079 -17.902 1.00 0.00 C ATOM 1263 CD GLU A 80 8.024 3.379 -18.690 1.00 0.00 C ATOM 1264 OE1 GLU A 80 8.288 4.419 -18.056 1.00 0.00 O ATOM 1265 OE2 GLU A 80 7.956 3.372 -19.937 1.00 0.00 O ATOM 1266 OXT GLU A 80 10.285 -1.689 -16.057 1.00 0.00 O ATOM 0 H GLU A 80 8.296 1.622 -14.960 1.00 0.00 H new ATOM 0 HA GLU A 80 8.266 -0.519 -16.962 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.640 2.208 -16.810 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.702 1.137 -18.197 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.281 1.359 -18.547 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.111 2.286 -17.070 1.00 0.00 H new TER 1273 GLU A 80