USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 668 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.127 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.0308 K(o=-0.031,f=-3.5!) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= 0.963 (180deg=0.72) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 22 ASN : amide:sc= -0.106 K(o=-0.11,f=-0.82) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.617 K(o=0.62,f=-3.2!) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0.769 (180deg=0.747) USER MOD Single : A 44 THR OG1 : rot 22:sc= 0.13 USER MOD Single : A 51 TYR OH : rot 144:sc= 0.8 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0271) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.22) USER MOD Single : A 89 MET CE :methyl 179:sc= -0.06 (180deg=-0.065) USER MOD Single : A 95 THR OG1 : rot 53:sc= 1.23 USER MOD Single : A 99 GLN : amide:sc= -0.0179 K(o=-0.018,f=-1.1) USER MOD Single : A 102 SER OG : rot -33:sc= 0.00575 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.082 -19.066 14.538 1.00 13.33 N ATOM 2 CA MET A 1 -10.065 -18.354 13.736 1.00 74.02 C ATOM 3 C MET A 1 -9.968 -16.888 14.156 1.00 72.02 C ATOM 4 O MET A 1 -10.668 -16.476 15.079 1.00 3.45 O ATOM 5 CB MET A 1 -10.301 -18.517 12.226 1.00 24.12 C ATOM 6 CG MET A 1 -11.551 -17.793 11.708 1.00 2.32 C ATOM 7 SD MET A 1 -11.450 -17.320 9.962 1.00 43.54 S ATOM 8 CE MET A 1 -13.025 -16.432 9.810 1.00 54.50 C ATOM 0 H1 MET A 1 -10.635 -19.860 15.040 1.00 13.33 H new ATOM 0 H2 MET A 1 -11.500 -18.411 15.229 1.00 13.33 H new ATOM 0 H3 MET A 1 -11.828 -19.429 13.910 1.00 13.33 H new ATOM 0 HA MET A 1 -9.099 -18.815 13.941 1.00 74.02 H new ATOM 0 HB2 MET A 1 -9.429 -18.143 11.690 1.00 24.12 H new ATOM 0 HB3 MET A 1 -10.386 -19.579 11.995 1.00 24.12 H new ATOM 0 HG2 MET A 1 -12.418 -18.438 11.851 1.00 2.32 H new ATOM 0 HG3 MET A 1 -11.716 -16.898 12.308 1.00 2.32 H new ATOM 0 HE1 MET A 1 -13.138 -16.064 8.790 1.00 54.50 H new ATOM 0 HE2 MET A 1 -13.848 -17.107 10.045 1.00 54.50 H new ATOM 0 HE3 MET A 1 -13.037 -15.591 10.503 1.00 54.50 H new ATOM 16 N THR A 2 -9.115 -16.107 13.480 1.00 73.31 N ATOM 17 CA THR A 2 -8.820 -14.697 13.754 1.00 3.53 C ATOM 18 C THR A 2 -7.936 -14.554 15.015 1.00 0.14 C ATOM 19 O THR A 2 -7.755 -13.451 15.531 1.00 31.41 O ATOM 20 CB THR A 2 -10.117 -13.841 13.768 1.00 33.41 C ATOM 21 OG1 THR A 2 -11.091 -14.352 12.859 1.00 14.34 O ATOM 22 CG2 THR A 2 -9.875 -12.375 13.394 1.00 14.24 C ATOM 0 H THR A 2 -8.584 -16.462 12.685 1.00 73.31 H new ATOM 0 HA THR A 2 -8.225 -14.289 12.937 1.00 3.53 H new ATOM 0 HB THR A 2 -10.475 -13.896 14.796 1.00 33.41 H new ATOM 0 HG1 THR A 2 -11.895 -13.793 12.893 1.00 14.34 H new ATOM 0 HG21 THR A 2 -10.819 -11.832 13.422 1.00 14.24 H new ATOM 0 HG22 THR A 2 -9.178 -11.929 14.103 1.00 14.24 H new ATOM 0 HG23 THR A 2 -9.455 -12.320 12.390 1.00 14.24 H new ATOM 30 N THR A 3 -7.371 -15.658 15.516 1.00 60.20 N ATOM 31 CA THR A 3 -6.916 -15.799 16.894 1.00 21.31 C ATOM 32 C THR A 3 -5.522 -16.448 17.008 1.00 34.14 C ATOM 33 O THR A 3 -5.226 -17.077 18.030 1.00 11.25 O ATOM 34 CB THR A 3 -8.015 -16.551 17.682 1.00 51.14 C ATOM 35 OG1 THR A 3 -8.558 -17.629 16.927 1.00 54.33 O ATOM 36 CG2 THR A 3 -9.156 -15.602 18.064 1.00 71.20 C ATOM 0 H THR A 3 -7.216 -16.496 14.956 1.00 60.20 H new ATOM 0 HA THR A 3 -6.772 -14.813 17.335 1.00 21.31 H new ATOM 0 HB THR A 3 -7.542 -16.947 18.581 1.00 51.14 H new ATOM 0 HG1 THR A 3 -9.248 -18.083 17.455 1.00 54.33 H new ATOM 0 HG21 THR A 3 -9.917 -16.152 18.617 1.00 71.20 H new ATOM 0 HG22 THR A 3 -8.766 -14.796 18.686 1.00 71.20 H new ATOM 0 HG23 THR A 3 -9.597 -15.181 17.160 1.00 71.20 H new ATOM 44 N PHE A 4 -4.648 -16.323 15.994 1.00 13.24 N ATOM 45 CA PHE A 4 -3.265 -16.800 16.124 1.00 74.30 C ATOM 46 C PHE A 4 -2.527 -16.026 17.225 1.00 14.31 C ATOM 47 O PHE A 4 -2.996 -15.001 17.736 1.00 0.33 O ATOM 48 CB PHE A 4 -2.477 -16.710 14.802 1.00 11.31 C ATOM 49 CG PHE A 4 -2.903 -17.657 13.701 1.00 63.00 C ATOM 50 CD1 PHE A 4 -2.608 -19.030 13.772 1.00 41.41 C ATOM 51 CD2 PHE A 4 -3.543 -17.151 12.560 1.00 11.32 C ATOM 52 CE1 PHE A 4 -2.998 -19.887 12.726 1.00 42.41 C ATOM 53 CE2 PHE A 4 -3.932 -18.003 11.512 1.00 52.31 C ATOM 54 CZ PHE A 4 -3.680 -19.379 11.608 1.00 40.54 C ATOM 0 H PHE A 4 -4.871 -15.903 15.092 1.00 13.24 H new ATOM 0 HA PHE A 4 -3.325 -17.854 16.396 1.00 74.30 H new ATOM 0 HB2 PHE A 4 -2.556 -15.690 14.425 1.00 11.31 H new ATOM 0 HB3 PHE A 4 -1.424 -16.889 15.019 1.00 11.31 H new ATOM 0 HD1 PHE A 4 -2.083 -19.426 14.628 1.00 41.41 H new ATOM 0 HD2 PHE A 4 -3.740 -16.092 12.486 1.00 11.32 H new ATOM 0 HE1 PHE A 4 -2.772 -20.941 12.783 1.00 42.41 H new ATOM 0 HE2 PHE A 4 -4.422 -17.600 10.638 1.00 52.31 H new ATOM 0 HZ PHE A 4 -4.009 -20.046 10.825 1.00 40.54 H new ATOM 63 N ASP A 5 -1.369 -16.549 17.611 1.00 54.32 N ATOM 64 CA ASP A 5 -0.504 -16.055 18.679 1.00 64.44 C ATOM 65 C ASP A 5 0.148 -14.736 18.241 1.00 43.30 C ATOM 66 O ASP A 5 -0.086 -14.258 17.125 1.00 15.43 O ATOM 67 CB ASP A 5 0.599 -17.082 19.011 1.00 0.15 C ATOM 68 CG ASP A 5 0.197 -18.563 19.060 1.00 34.03 C ATOM 69 OD1 ASP A 5 -1.007 -18.905 19.046 1.00 43.33 O ATOM 70 OD2 ASP A 5 1.121 -19.397 18.935 1.00 55.31 O ATOM 0 H ASP A 5 -0.985 -17.379 17.160 1.00 54.32 H new ATOM 0 HA ASP A 5 -1.112 -15.894 19.569 1.00 64.44 H new ATOM 0 HB2 ASP A 5 1.393 -16.973 18.272 1.00 0.15 H new ATOM 0 HB3 ASP A 5 1.025 -16.817 19.979 1.00 0.15 H new ATOM 74 N ASP A 6 1.003 -14.152 19.085 1.00 14.35 N ATOM 75 CA ASP A 6 1.882 -13.068 18.646 1.00 54.44 C ATOM 76 C ASP A 6 3.079 -13.623 17.882 1.00 32.42 C ATOM 77 O ASP A 6 3.472 -13.037 16.871 1.00 73.10 O ATOM 78 CB ASP A 6 2.418 -12.237 19.820 1.00 25.42 C ATOM 79 CG ASP A 6 1.426 -11.213 20.359 1.00 41.44 C ATOM 80 OD1 ASP A 6 0.690 -10.586 19.560 1.00 4.23 O ATOM 81 OD2 ASP A 6 1.433 -10.998 21.591 1.00 21.35 O ATOM 0 H ASP A 6 1.104 -14.409 20.067 1.00 14.35 H new ATOM 0 HA ASP A 6 1.276 -12.428 18.005 1.00 54.44 H new ATOM 0 HB2 ASP A 6 2.704 -12.911 20.628 1.00 25.42 H new ATOM 0 HB3 ASP A 6 3.323 -11.719 19.502 1.00 25.42 H new ATOM 85 N ARG A 7 3.718 -14.708 18.345 1.00 44.50 N ATOM 86 CA ARG A 7 4.996 -15.161 17.811 1.00 54.33 C ATOM 87 C ARG A 7 4.929 -16.654 17.551 1.00 13.24 C ATOM 88 O ARG A 7 3.921 -17.280 17.861 1.00 13.52 O ATOM 89 CB ARG A 7 6.140 -14.759 18.764 1.00 3.53 C ATOM 90 CG ARG A 7 6.353 -13.239 18.756 1.00 42.23 C ATOM 91 CD ARG A 7 7.619 -12.820 19.507 1.00 63.22 C ATOM 92 NE ARG A 7 7.480 -12.908 20.969 1.00 52.11 N ATOM 93 CZ ARG A 7 7.010 -11.950 21.776 1.00 33.42 C ATOM 94 NH1 ARG A 7 6.470 -10.846 21.278 1.00 52.42 N ATOM 95 NH2 ARG A 7 7.090 -12.077 23.094 1.00 2.25 N ATOM 0 H ARG A 7 3.357 -15.291 19.100 1.00 44.50 H new ATOM 0 HA ARG A 7 5.206 -14.677 16.857 1.00 54.33 H new ATOM 0 HB2 ARG A 7 5.909 -15.092 19.776 1.00 3.53 H new ATOM 0 HB3 ARG A 7 7.060 -15.261 18.465 1.00 3.53 H new ATOM 0 HG2 ARG A 7 6.413 -12.889 17.725 1.00 42.23 H new ATOM 0 HG3 ARG A 7 5.489 -12.752 19.208 1.00 42.23 H new ATOM 0 HD2 ARG A 7 8.449 -13.451 19.188 1.00 63.22 H new ATOM 0 HD3 ARG A 7 7.874 -11.796 19.233 1.00 63.22 H new ATOM 0 HE ARG A 7 7.769 -13.782 21.409 1.00 52.11 H new ATOM 0 HH11 ARG A 7 6.409 -10.719 20.268 1.00 52.42 H new ATOM 0 HH12 ARG A 7 6.116 -10.124 21.905 1.00 52.42 H new ATOM 0 HH21 ARG A 7 7.513 -12.911 23.501 1.00 2.25 H new ATOM 0 HH22 ARG A 7 6.729 -11.341 23.700 1.00 2.25 H new ATOM 106 N GLU A 8 5.990 -17.217 16.975 1.00 43.30 N ATOM 107 CA GLU A 8 6.127 -18.624 16.652 1.00 21.34 C ATOM 108 C GLU A 8 5.122 -19.043 15.573 1.00 75.04 C ATOM 109 O GLU A 8 3.956 -19.319 15.845 1.00 22.31 O ATOM 110 CB GLU A 8 6.037 -19.477 17.925 1.00 3.52 C ATOM 111 CG GLU A 8 6.870 -20.750 17.721 1.00 40.50 C ATOM 112 CD GLU A 8 6.552 -21.878 18.705 1.00 20.34 C ATOM 113 OE1 GLU A 8 6.454 -21.616 19.926 1.00 24.24 O ATOM 114 OE2 GLU A 8 6.476 -23.031 18.217 1.00 20.23 O ATOM 0 H GLU A 8 6.812 -16.674 16.711 1.00 43.30 H new ATOM 0 HA GLU A 8 7.116 -18.797 16.226 1.00 21.34 H new ATOM 0 HB2 GLU A 8 6.407 -18.916 18.783 1.00 3.52 H new ATOM 0 HB3 GLU A 8 4.999 -19.734 18.136 1.00 3.52 H new ATOM 0 HG2 GLU A 8 6.712 -21.114 16.706 1.00 40.50 H new ATOM 0 HG3 GLU A 8 7.926 -20.496 17.807 1.00 40.50 H new ATOM 119 N ARG A 9 5.554 -19.070 14.305 1.00 42.21 N ATOM 120 CA ARG A 9 4.697 -19.373 13.140 1.00 20.11 C ATOM 121 C ARG A 9 3.521 -18.405 12.957 1.00 63.42 C ATOM 122 O ARG A 9 2.684 -18.646 12.086 1.00 31.43 O ATOM 123 CB ARG A 9 4.143 -20.816 13.186 1.00 33.33 C ATOM 124 CG ARG A 9 5.155 -21.935 13.431 1.00 71.31 C ATOM 125 CD ARG A 9 6.289 -21.942 12.397 1.00 1.52 C ATOM 126 NE ARG A 9 6.880 -23.282 12.281 1.00 43.20 N ATOM 127 CZ ARG A 9 7.552 -23.933 13.237 1.00 42.52 C ATOM 128 NH1 ARG A 9 7.932 -23.308 14.348 1.00 63.44 N ATOM 129 NH2 ARG A 9 7.841 -25.217 13.086 1.00 60.30 N ATOM 0 H ARG A 9 6.523 -18.880 14.051 1.00 42.21 H new ATOM 0 HA ARG A 9 5.363 -19.254 12.285 1.00 20.11 H new ATOM 0 HB2 ARG A 9 3.386 -20.865 13.969 1.00 33.33 H new ATOM 0 HB3 ARG A 9 3.637 -21.016 12.241 1.00 33.33 H new ATOM 0 HG2 ARG A 9 5.579 -21.824 14.429 1.00 71.31 H new ATOM 0 HG3 ARG A 9 4.641 -22.896 13.408 1.00 71.31 H new ATOM 0 HD2 ARG A 9 5.906 -21.623 11.428 1.00 1.52 H new ATOM 0 HD3 ARG A 9 7.057 -21.225 12.687 1.00 1.52 H new ATOM 0 HE ARG A 9 6.767 -23.761 11.388 1.00 43.20 H new ATOM 0 HH11 ARG A 9 7.711 -22.321 14.479 1.00 63.44 H new ATOM 0 HH12 ARG A 9 8.444 -23.816 15.069 1.00 63.44 H new ATOM 0 HH21 ARG A 9 7.551 -25.709 12.241 1.00 60.30 H new ATOM 0 HH22 ARG A 9 8.353 -25.714 13.815 1.00 60.30 H new ATOM 140 N ALA A 10 3.465 -17.316 13.720 1.00 54.21 N ATOM 141 CA ALA A 10 2.294 -16.457 13.843 1.00 34.35 C ATOM 142 C ALA A 10 2.567 -15.086 13.233 1.00 15.43 C ATOM 143 O ALA A 10 1.669 -14.506 12.633 1.00 60.13 O ATOM 144 CB ALA A 10 1.872 -16.346 15.307 1.00 52.52 C ATOM 0 H ALA A 10 4.254 -17.000 14.284 1.00 54.21 H new ATOM 0 HA ALA A 10 1.468 -16.904 13.289 1.00 34.35 H new ATOM 0 HB1 ALA A 10 0.996 -15.702 15.385 1.00 52.52 H new ATOM 0 HB2 ALA A 10 1.629 -17.337 15.692 1.00 52.52 H new ATOM 0 HB3 ALA A 10 2.689 -15.920 15.890 1.00 52.52 H new ATOM 150 N HIS A 11 3.816 -14.608 13.292 1.00 0.34 N ATOM 151 CA HIS A 11 4.279 -13.487 12.481 1.00 1.11 C ATOM 152 C HIS A 11 5.490 -13.870 11.632 1.00 74.12 C ATOM 153 O HIS A 11 5.620 -13.419 10.500 1.00 24.32 O ATOM 154 CB HIS A 11 4.570 -12.261 13.354 1.00 2.22 C ATOM 155 CG HIS A 11 3.394 -11.391 13.747 1.00 44.53 C ATOM 156 ND1 HIS A 11 3.410 -10.011 13.758 1.00 50.41 N ATOM 157 CD2 HIS A 11 2.216 -11.783 14.332 1.00 32.32 C ATOM 158 CE1 HIS A 11 2.276 -9.578 14.330 1.00 53.14 C ATOM 159 NE2 HIS A 11 1.516 -10.623 14.682 1.00 45.43 N ATOM 0 H HIS A 11 4.533 -14.993 13.907 1.00 0.34 H new ATOM 0 HA HIS A 11 3.476 -13.222 11.793 1.00 1.11 H new ATOM 0 HB2 HIS A 11 5.055 -12.605 14.268 1.00 2.22 H new ATOM 0 HB3 HIS A 11 5.291 -11.636 12.827 1.00 2.22 H new ATOM 0 HD2 HIS A 11 1.889 -12.800 14.493 1.00 32.32 H new ATOM 0 HE1 HIS A 11 2.015 -8.541 14.484 1.00 53.14 H new ATOM 0 HE2 HIS A 11 0.597 -10.581 15.123 1.00 45.43 H new ATOM 166 N GLU A 12 6.347 -14.745 12.140 1.00 0.14 N ATOM 167 CA GLU A 12 7.589 -15.170 11.495 1.00 71.11 C ATOM 168 C GLU A 12 7.310 -15.903 10.191 1.00 4.51 C ATOM 169 O GLU A 12 7.931 -15.579 9.177 1.00 51.33 O ATOM 170 CB GLU A 12 8.381 -16.093 12.422 1.00 15.24 C ATOM 171 CG GLU A 12 9.255 -15.314 13.406 1.00 3.34 C ATOM 172 CD GLU A 12 9.442 -16.132 14.675 1.00 31.11 C ATOM 173 OE1 GLU A 12 10.323 -17.022 14.706 1.00 63.22 O ATOM 174 OE2 GLU A 12 8.677 -15.918 15.646 1.00 32.03 O ATOM 0 H GLU A 12 6.195 -15.195 13.042 1.00 0.14 H new ATOM 0 HA GLU A 12 8.170 -14.273 11.280 1.00 71.11 H new ATOM 0 HB2 GLU A 12 7.690 -16.728 12.977 1.00 15.24 H new ATOM 0 HB3 GLU A 12 9.010 -16.753 11.824 1.00 15.24 H new ATOM 0 HG2 GLU A 12 10.223 -15.096 12.955 1.00 3.34 H new ATOM 0 HG3 GLU A 12 8.791 -14.357 13.643 1.00 3.34 H new ATOM 179 N ALA A 13 6.387 -16.871 10.206 1.00 35.15 N ATOM 180 CA ALA A 13 6.136 -17.733 9.050 1.00 35.24 C ATOM 181 C ALA A 13 4.737 -17.541 8.455 1.00 41.32 C ATOM 182 O ALA A 13 4.552 -17.818 7.270 1.00 20.15 O ATOM 183 CB ALA A 13 6.415 -19.191 9.426 1.00 23.13 C ATOM 0 H ALA A 13 5.798 -17.076 11.013 1.00 35.15 H new ATOM 0 HA ALA A 13 6.823 -17.441 8.256 1.00 35.24 H new ATOM 0 HB1 ALA A 13 6.228 -19.831 8.564 1.00 23.13 H new ATOM 0 HB2 ALA A 13 7.455 -19.294 9.735 1.00 23.13 H new ATOM 0 HB3 ALA A 13 5.761 -19.487 10.247 1.00 23.13 H new ATOM 189 N LYS A 14 3.787 -17.000 9.233 1.00 53.13 N ATOM 190 CA LYS A 14 2.389 -16.808 8.844 1.00 21.24 C ATOM 191 C LYS A 14 2.246 -16.056 7.523 1.00 15.54 C ATOM 192 O LYS A 14 1.306 -16.323 6.779 1.00 23.31 O ATOM 193 CB LYS A 14 1.696 -16.032 9.976 1.00 72.34 C ATOM 194 CG LYS A 14 0.180 -15.815 9.852 1.00 52.42 C ATOM 195 CD LYS A 14 -0.654 -17.074 10.135 1.00 41.22 C ATOM 196 CE LYS A 14 -0.966 -17.866 8.863 1.00 3.34 C ATOM 197 NZ LYS A 14 -1.520 -19.200 9.163 1.00 61.13 N ATOM 0 H LYS A 14 3.981 -16.675 10.180 1.00 53.13 H new ATOM 0 HA LYS A 14 1.927 -17.783 8.690 1.00 21.24 H new ATOM 0 HB2 LYS A 14 1.887 -16.557 10.912 1.00 72.34 H new ATOM 0 HB3 LYS A 14 2.172 -15.055 10.056 1.00 72.34 H new ATOM 0 HG2 LYS A 14 -0.122 -15.028 10.543 1.00 52.42 H new ATOM 0 HG3 LYS A 14 -0.045 -15.460 8.846 1.00 52.42 H new ATOM 0 HD2 LYS A 14 -0.116 -17.713 10.835 1.00 41.22 H new ATOM 0 HD3 LYS A 14 -1.587 -16.787 10.619 1.00 41.22 H new ATOM 0 HE2 LYS A 14 -1.676 -17.307 8.254 1.00 3.34 H new ATOM 0 HE3 LYS A 14 -0.057 -17.976 8.272 1.00 3.34 H new ATOM 0 HZ1 LYS A 14 -2.008 -19.570 8.323 1.00 61.13 H new ATOM 0 HZ2 LYS A 14 -0.748 -19.845 9.427 1.00 61.13 H new ATOM 0 HZ3 LYS A 14 -2.195 -19.127 9.951 1.00 61.13 H new ATOM 207 N PHE A 15 3.148 -15.116 7.247 1.00 12.22 N ATOM 208 CA PHE A 15 3.074 -14.242 6.090 1.00 75.04 C ATOM 209 C PHE A 15 4.149 -14.622 5.058 1.00 1.11 C ATOM 210 O PHE A 15 3.962 -14.382 3.871 1.00 22.31 O ATOM 211 CB PHE A 15 3.170 -12.785 6.570 1.00 73.01 C ATOM 212 CG PHE A 15 2.194 -12.392 7.675 1.00 73.31 C ATOM 213 CD1 PHE A 15 0.875 -12.035 7.354 1.00 55.50 C ATOM 214 CD2 PHE A 15 2.590 -12.376 9.025 1.00 4.53 C ATOM 215 CE1 PHE A 15 -0.030 -11.661 8.360 1.00 34.21 C ATOM 216 CE2 PHE A 15 1.688 -11.989 10.033 1.00 0.54 C ATOM 217 CZ PHE A 15 0.375 -11.633 9.701 1.00 64.03 C ATOM 0 H PHE A 15 3.963 -14.942 7.835 1.00 12.22 H new ATOM 0 HA PHE A 15 2.120 -14.358 5.576 1.00 75.04 H new ATOM 0 HB2 PHE A 15 4.185 -12.604 6.924 1.00 73.01 H new ATOM 0 HB3 PHE A 15 3.008 -12.128 5.716 1.00 73.01 H new ATOM 0 HD1 PHE A 15 0.553 -12.048 6.323 1.00 55.50 H new ATOM 0 HD2 PHE A 15 3.597 -12.664 9.290 1.00 4.53 H new ATOM 0 HE1 PHE A 15 -1.043 -11.394 8.099 1.00 34.21 H new ATOM 0 HE2 PHE A 15 2.009 -11.966 11.064 1.00 0.54 H new ATOM 0 HZ PHE A 15 -0.321 -11.339 10.473 1.00 64.03 H new ATOM 226 N ALA A 16 5.239 -15.287 5.457 1.00 51.22 N ATOM 227 CA ALA A 16 6.206 -15.877 4.531 1.00 31.21 C ATOM 228 C ALA A 16 5.487 -16.872 3.614 1.00 41.43 C ATOM 229 O ALA A 16 5.629 -16.817 2.390 1.00 11.45 O ATOM 230 CB ALA A 16 7.346 -16.541 5.313 1.00 60.34 C ATOM 0 H ALA A 16 5.474 -15.431 6.439 1.00 51.22 H new ATOM 0 HA ALA A 16 6.649 -15.100 3.908 1.00 31.21 H new ATOM 0 HB1 ALA A 16 8.060 -16.977 4.615 1.00 60.34 H new ATOM 0 HB2 ALA A 16 7.849 -15.794 5.928 1.00 60.34 H new ATOM 0 HB3 ALA A 16 6.940 -17.324 5.953 1.00 60.34 H new ATOM 236 N HIS A 17 4.625 -17.697 4.216 1.00 2.13 N ATOM 237 CA HIS A 17 3.671 -18.588 3.565 1.00 34.02 C ATOM 238 C HIS A 17 2.508 -17.860 2.872 1.00 75.13 C ATOM 239 O HIS A 17 1.492 -18.482 2.563 1.00 1.55 O ATOM 240 CB HIS A 17 3.209 -19.632 4.593 1.00 12.11 C ATOM 241 CG HIS A 17 4.275 -20.672 4.801 1.00 44.32 C ATOM 242 ND1 HIS A 17 4.709 -21.541 3.830 1.00 24.02 N ATOM 243 CD2 HIS A 17 4.994 -20.917 5.938 1.00 60.34 C ATOM 244 CE1 HIS A 17 5.658 -22.309 4.367 1.00 2.55 C ATOM 245 NE2 HIS A 17 5.887 -21.962 5.651 1.00 62.44 N ATOM 0 H HIS A 17 4.575 -17.761 5.233 1.00 2.13 H new ATOM 0 HA HIS A 17 4.173 -19.091 2.739 1.00 34.02 H new ATOM 0 HB2 HIS A 17 2.980 -19.143 5.540 1.00 12.11 H new ATOM 0 HB3 HIS A 17 2.290 -20.108 4.250 1.00 12.11 H new ATOM 0 HD2 HIS A 17 4.894 -20.402 6.882 1.00 60.34 H new ATOM 0 HE1 HIS A 17 6.174 -23.101 3.845 1.00 2.55 H new ATOM 0 HE2 HIS A 17 6.571 -22.375 6.285 1.00 62.44 H new ATOM 252 N ASP A 18 2.663 -16.569 2.589 1.00 51.31 N ATOM 253 CA ASP A 18 1.799 -15.741 1.762 1.00 31.04 C ATOM 254 C ASP A 18 0.339 -15.748 2.223 1.00 62.42 C ATOM 255 O ASP A 18 0.094 -15.891 3.422 1.00 34.13 O ATOM 256 CB ASP A 18 2.062 -15.982 0.268 1.00 20.15 C ATOM 257 CG ASP A 18 1.256 -17.113 -0.372 1.00 24.34 C ATOM 258 OD1 ASP A 18 1.649 -18.299 -0.307 1.00 43.21 O ATOM 259 OD2 ASP A 18 0.276 -16.758 -1.064 1.00 34.22 O ATOM 0 H ASP A 18 3.452 -16.040 2.959 1.00 51.31 H new ATOM 0 HA ASP A 18 2.069 -14.695 1.909 1.00 31.04 H new ATOM 0 HB2 ASP A 18 1.852 -15.059 -0.273 1.00 20.15 H new ATOM 0 HB3 ASP A 18 3.123 -16.195 0.134 1.00 20.15 H new ATOM 263 N ALA A 19 -0.609 -15.474 1.316 1.00 4.45 N ATOM 264 CA ALA A 19 -2.058 -15.401 1.482 1.00 21.21 C ATOM 265 C ALA A 19 -2.514 -14.390 2.535 1.00 1.31 C ATOM 266 O ALA A 19 -3.046 -13.339 2.185 1.00 52.52 O ATOM 267 CB ALA A 19 -2.619 -16.800 1.718 1.00 34.01 C ATOM 0 H ALA A 19 -0.347 -15.279 0.350 1.00 4.45 H new ATOM 0 HA ALA A 19 -2.474 -15.011 0.553 1.00 21.21 H new ATOM 0 HB1 ALA A 19 -3.700 -16.742 1.842 1.00 34.01 H new ATOM 0 HB2 ALA A 19 -2.385 -17.435 0.864 1.00 34.01 H new ATOM 0 HB3 ALA A 19 -2.173 -17.224 2.618 1.00 34.01 H new ATOM 273 N GLU A 20 -2.263 -14.665 3.812 1.00 32.42 N ATOM 274 CA GLU A 20 -2.422 -13.735 4.922 1.00 0.33 C ATOM 275 C GLU A 20 -1.599 -12.465 4.644 1.00 24.21 C ATOM 276 O GLU A 20 -2.020 -11.354 4.955 1.00 73.41 O ATOM 277 CB GLU A 20 -1.942 -14.450 6.203 1.00 2.45 C ATOM 278 CG GLU A 20 -2.496 -13.839 7.496 1.00 41.50 C ATOM 279 CD GLU A 20 -3.802 -14.499 7.934 1.00 41.44 C ATOM 280 OE1 GLU A 20 -4.857 -14.210 7.323 1.00 15.51 O ATOM 281 OE2 GLU A 20 -3.800 -15.308 8.889 1.00 15.44 O ATOM 0 H GLU A 20 -1.929 -15.581 4.112 1.00 32.42 H new ATOM 0 HA GLU A 20 -3.462 -13.434 5.045 1.00 0.33 H new ATOM 0 HB2 GLU A 20 -2.234 -15.499 6.154 1.00 2.45 H new ATOM 0 HB3 GLU A 20 -0.853 -14.423 6.237 1.00 2.45 H new ATOM 0 HG2 GLU A 20 -1.756 -13.940 8.290 1.00 41.50 H new ATOM 0 HG3 GLU A 20 -2.662 -12.772 7.349 1.00 41.50 H new ATOM 286 N LEU A 21 -0.435 -12.626 4.002 1.00 12.11 N ATOM 287 CA LEU A 21 0.426 -11.546 3.518 1.00 33.41 C ATOM 288 C LEU A 21 -0.341 -10.655 2.549 1.00 55.24 C ATOM 289 O LEU A 21 -0.460 -9.446 2.754 1.00 55.34 O ATOM 290 CB LEU A 21 1.629 -12.200 2.820 1.00 15.11 C ATOM 291 CG LEU A 21 2.688 -11.247 2.220 1.00 72.41 C ATOM 292 CD1 LEU A 21 3.920 -11.144 3.117 1.00 1.52 C ATOM 293 CD2 LEU A 21 3.162 -11.768 0.858 1.00 64.00 C ATOM 0 H LEU A 21 -0.054 -13.550 3.799 1.00 12.11 H new ATOM 0 HA LEU A 21 0.762 -10.918 4.343 1.00 33.41 H new ATOM 0 HB2 LEU A 21 2.126 -12.851 3.539 1.00 15.11 H new ATOM 0 HB3 LEU A 21 1.253 -12.837 2.020 1.00 15.11 H new ATOM 0 HG LEU A 21 2.215 -10.270 2.124 1.00 72.41 H new ATOM 0 HD11 LEU A 21 4.644 -10.466 2.665 1.00 1.52 H new ATOM 0 HD12 LEU A 21 3.627 -10.762 4.095 1.00 1.52 H new ATOM 0 HD13 LEU A 21 4.370 -12.130 3.232 1.00 1.52 H new ATOM 0 HD21 LEU A 21 3.907 -11.087 0.447 1.00 64.00 H new ATOM 0 HD22 LEU A 21 3.603 -12.757 0.980 1.00 64.00 H new ATOM 0 HD23 LEU A 21 2.313 -11.830 0.177 1.00 64.00 H new ATOM 304 N ASN A 22 -0.928 -11.289 1.533 1.00 61.20 N ATOM 305 CA ASN A 22 -1.747 -10.696 0.481 1.00 51.30 C ATOM 306 C ASN A 22 -3.120 -10.268 1.029 1.00 43.54 C ATOM 307 O ASN A 22 -4.094 -10.234 0.282 1.00 21.33 O ATOM 308 CB ASN A 22 -1.905 -11.691 -0.690 1.00 53.14 C ATOM 309 CG ASN A 22 -0.592 -12.155 -1.307 1.00 1.51 C ATOM 310 OD1 ASN A 22 0.397 -11.423 -1.317 1.00 34.03 O ATOM 311 ND2 ASN A 22 -0.528 -13.396 -1.770 1.00 60.23 N ATOM 0 H ASN A 22 -0.836 -12.298 1.418 1.00 61.20 H new ATOM 0 HA ASN A 22 -1.245 -9.802 0.112 1.00 51.30 H new ATOM 0 HB2 ASN A 22 -2.454 -12.564 -0.337 1.00 53.14 H new ATOM 0 HB3 ASN A 22 -2.512 -11.225 -1.466 1.00 53.14 H new ATOM 0 HD21 ASN A 22 0.351 -13.757 -2.142 1.00 60.23 H new ATOM 0 HD22 ASN A 22 -1.357 -13.990 -1.754 1.00 60.23 H new ATOM 317 N PHE A 23 -3.227 -9.972 2.329 1.00 60.02 N ATOM 318 CA PHE A 23 -4.416 -9.445 3.002 1.00 35.42 C ATOM 319 C PHE A 23 -4.098 -8.322 3.997 1.00 62.01 C ATOM 320 O PHE A 23 -4.955 -7.813 4.720 1.00 0.40 O ATOM 321 CB PHE A 23 -5.090 -10.609 3.705 1.00 51.14 C ATOM 322 CG PHE A 23 -6.556 -10.346 3.970 1.00 23.04 C ATOM 323 CD1 PHE A 23 -7.395 -10.217 2.859 1.00 41.40 C ATOM 324 CD2 PHE A 23 -7.074 -10.150 5.263 1.00 72.31 C ATOM 325 CE1 PHE A 23 -8.765 -9.976 3.028 1.00 55.54 C ATOM 326 CE2 PHE A 23 -8.438 -9.874 5.438 1.00 34.04 C ATOM 327 CZ PHE A 23 -9.287 -9.817 4.323 1.00 72.21 C ATOM 0 H PHE A 23 -2.446 -10.101 2.972 1.00 60.02 H new ATOM 0 HA PHE A 23 -5.072 -8.995 2.257 1.00 35.42 H new ATOM 0 HB2 PHE A 23 -4.988 -11.507 3.096 1.00 51.14 H new ATOM 0 HB3 PHE A 23 -4.581 -10.805 4.649 1.00 51.14 H new ATOM 0 HD1 PHE A 23 -6.984 -10.304 1.864 1.00 41.40 H new ATOM 0 HD2 PHE A 23 -6.421 -10.212 6.121 1.00 72.31 H new ATOM 0 HE1 PHE A 23 -9.416 -9.913 2.168 1.00 55.54 H new ATOM 0 HE2 PHE A 23 -8.834 -9.706 6.429 1.00 34.04 H new ATOM 0 HZ PHE A 23 -10.345 -9.650 4.460 1.00 72.21 H new ATOM 336 N LYS A 24 -2.817 -7.991 4.098 1.00 54.22 N ATOM 337 CA LYS A 24 -2.251 -6.974 4.971 1.00 64.23 C ATOM 338 C LYS A 24 -1.476 -5.969 4.146 1.00 3.24 C ATOM 339 O LYS A 24 -1.851 -4.798 4.084 1.00 15.14 O ATOM 340 CB LYS A 24 -1.334 -7.681 5.973 1.00 44.20 C ATOM 341 CG LYS A 24 -2.065 -8.739 6.799 1.00 72.41 C ATOM 342 CD LYS A 24 -2.648 -8.149 8.075 1.00 55.55 C ATOM 343 CE LYS A 24 -3.313 -9.267 8.865 1.00 42.34 C ATOM 344 NZ LYS A 24 -3.655 -8.847 10.239 1.00 51.51 N ATOM 0 H LYS A 24 -2.102 -8.455 3.537 1.00 54.22 H new ATOM 0 HA LYS A 24 -3.034 -6.435 5.504 1.00 64.23 H new ATOM 0 HB2 LYS A 24 -0.510 -8.151 5.436 1.00 44.20 H new ATOM 0 HB3 LYS A 24 -0.897 -6.941 6.643 1.00 44.20 H new ATOM 0 HG2 LYS A 24 -2.864 -9.179 6.203 1.00 72.41 H new ATOM 0 HG3 LYS A 24 -1.376 -9.545 7.052 1.00 72.41 H new ATOM 0 HD2 LYS A 24 -1.863 -7.681 8.669 1.00 55.55 H new ATOM 0 HD3 LYS A 24 -3.373 -7.371 7.836 1.00 55.55 H new ATOM 0 HE2 LYS A 24 -4.218 -9.587 8.348 1.00 42.34 H new ATOM 0 HE3 LYS A 24 -2.647 -10.129 8.905 1.00 42.34 H new ATOM 0 HZ1 LYS A 24 -4.106 -9.638 10.742 1.00 51.51 H new ATOM 0 HZ2 LYS A 24 -2.789 -8.566 10.742 1.00 51.51 H new ATOM 0 HZ3 LYS A 24 -4.311 -8.041 10.202 1.00 51.51 H new ATOM 354 N ALA A 25 -0.430 -6.449 3.466 1.00 43.13 N ATOM 355 CA ALA A 25 0.394 -5.646 2.579 1.00 60.25 C ATOM 356 C ALA A 25 -0.476 -4.963 1.523 1.00 33.22 C ATOM 357 O ALA A 25 -0.226 -3.818 1.158 1.00 74.23 O ATOM 358 CB ALA A 25 1.451 -6.553 1.937 1.00 43.54 C ATOM 0 H ALA A 25 -0.133 -7.423 3.523 1.00 43.13 H new ATOM 0 HA ALA A 25 0.898 -4.860 3.141 1.00 60.25 H new ATOM 0 HB1 ALA A 25 2.078 -5.964 1.268 1.00 43.54 H new ATOM 0 HB2 ALA A 25 2.070 -6.998 2.716 1.00 43.54 H new ATOM 0 HB3 ALA A 25 0.957 -7.343 1.370 1.00 43.54 H new ATOM 364 N GLU A 26 -1.533 -5.649 1.081 1.00 12.53 N ATOM 365 CA GLU A 26 -2.431 -5.194 0.037 1.00 52.51 C ATOM 366 C GLU A 26 -3.169 -3.898 0.395 1.00 34.00 C ATOM 367 O GLU A 26 -3.284 -2.999 -0.439 1.00 73.53 O ATOM 368 CB GLU A 26 -3.376 -6.352 -0.340 1.00 75.35 C ATOM 369 CG GLU A 26 -4.278 -6.921 0.754 1.00 41.32 C ATOM 370 CD GLU A 26 -5.492 -6.087 1.124 1.00 52.21 C ATOM 371 OE1 GLU A 26 -6.339 -5.847 0.233 1.00 55.33 O ATOM 372 OE2 GLU A 26 -5.595 -5.744 2.322 1.00 22.42 O ATOM 0 H GLU A 26 -1.788 -6.563 1.456 1.00 12.53 H new ATOM 0 HA GLU A 26 -1.843 -4.922 -0.840 1.00 52.51 H new ATOM 0 HB2 GLU A 26 -4.013 -6.012 -1.156 1.00 75.35 H new ATOM 0 HB3 GLU A 26 -2.767 -7.168 -0.730 1.00 75.35 H new ATOM 0 HG2 GLU A 26 -4.622 -7.905 0.436 1.00 41.32 H new ATOM 0 HG3 GLU A 26 -3.677 -7.068 1.651 1.00 41.32 H new ATOM 377 N ALA A 27 -3.611 -3.755 1.643 1.00 42.51 N ATOM 378 CA ALA A 27 -4.198 -2.524 2.139 1.00 32.03 C ATOM 379 C ALA A 27 -3.092 -1.534 2.454 1.00 75.12 C ATOM 380 O ALA A 27 -3.107 -0.407 1.953 1.00 60.31 O ATOM 381 CB ALA A 27 -5.026 -2.814 3.386 1.00 53.15 C ATOM 0 H ALA A 27 -3.569 -4.499 2.339 1.00 42.51 H new ATOM 0 HA ALA A 27 -4.853 -2.096 1.380 1.00 32.03 H new ATOM 0 HB1 ALA A 27 -5.465 -1.887 3.755 1.00 53.15 H new ATOM 0 HB2 ALA A 27 -5.820 -3.519 3.140 1.00 53.15 H new ATOM 0 HB3 ALA A 27 -4.386 -3.244 4.156 1.00 53.15 H new ATOM 387 N ARG A 28 -2.121 -1.955 3.274 1.00 24.03 N ATOM 388 CA ARG A 28 -1.059 -1.083 3.751 1.00 64.22 C ATOM 389 C ARG A 28 -0.362 -0.373 2.606 1.00 44.31 C ATOM 390 O ARG A 28 -0.173 0.825 2.718 1.00 43.21 O ATOM 391 CB ARG A 28 -0.051 -1.852 4.611 1.00 40.42 C ATOM 392 CG ARG A 28 -0.340 -1.811 6.119 1.00 4.12 C ATOM 393 CD ARG A 28 -0.003 -0.444 6.736 1.00 33.21 C ATOM 394 NE ARG A 28 -0.018 -0.488 8.208 1.00 21.31 N ATOM 395 CZ ARG A 28 -0.890 0.081 9.045 1.00 61.34 C ATOM 396 NH1 ARG A 28 -1.921 0.797 8.595 1.00 34.04 N ATOM 397 NH2 ARG A 28 -0.722 -0.054 10.349 1.00 34.23 N ATOM 0 H ARG A 28 -2.056 -2.912 3.621 1.00 24.03 H new ATOM 0 HA ARG A 28 -1.524 -0.322 4.377 1.00 64.22 H new ATOM 0 HB2 ARG A 28 -0.033 -2.892 4.285 1.00 40.42 H new ATOM 0 HB3 ARG A 28 0.944 -1.445 4.433 1.00 40.42 H new ATOM 0 HG2 ARG A 28 -1.392 -2.037 6.292 1.00 4.12 H new ATOM 0 HG3 ARG A 28 0.239 -2.587 6.620 1.00 4.12 H new ATOM 0 HD2 ARG A 28 0.980 -0.123 6.392 1.00 33.21 H new ATOM 0 HD3 ARG A 28 -0.721 0.299 6.388 1.00 33.21 H new ATOM 0 HE ARG A 28 0.734 -1.021 8.644 1.00 21.31 H new ATOM 0 HH11 ARG A 28 -2.057 0.920 7.592 1.00 34.04 H new ATOM 0 HH12 ARG A 28 -2.573 1.222 9.254 1.00 34.04 H new ATOM 0 HH21 ARG A 28 0.068 -0.589 10.709 1.00 34.23 H new ATOM 0 HH22 ARG A 28 -1.383 0.377 10.996 1.00 34.23 H new ATOM 408 N ARG A 29 -0.046 -1.010 1.476 1.00 3.50 N ATOM 409 CA ARG A 29 0.616 -0.313 0.368 1.00 33.11 C ATOM 410 C ARG A 29 -0.148 0.940 -0.080 1.00 63.15 C ATOM 411 O ARG A 29 0.467 1.964 -0.387 1.00 63.11 O ATOM 412 CB ARG A 29 0.845 -1.292 -0.803 1.00 3.41 C ATOM 413 CG ARG A 29 -0.441 -1.798 -1.464 1.00 4.42 C ATOM 414 CD ARG A 29 -0.126 -2.690 -2.654 1.00 13.42 C ATOM 415 NE ARG A 29 -1.319 -3.379 -3.169 1.00 75.22 N ATOM 416 CZ ARG A 29 -2.266 -2.873 -3.970 1.00 21.21 C ATOM 417 NH1 ARG A 29 -2.336 -1.579 -4.255 1.00 35.50 N ATOM 418 NH2 ARG A 29 -3.145 -3.675 -4.539 1.00 54.45 N ATOM 0 H ARG A 29 -0.235 -1.997 1.304 1.00 3.50 H new ATOM 0 HA ARG A 29 1.583 0.041 0.725 1.00 33.11 H new ATOM 0 HB2 ARG A 29 1.458 -0.800 -1.558 1.00 3.41 H new ATOM 0 HB3 ARG A 29 1.414 -2.148 -0.439 1.00 3.41 H new ATOM 0 HG2 ARG A 29 -1.035 -2.352 -0.737 1.00 4.42 H new ATOM 0 HG3 ARG A 29 -1.045 -0.951 -1.789 1.00 4.42 H new ATOM 0 HD2 ARG A 29 0.314 -2.088 -3.449 1.00 13.42 H new ATOM 0 HD3 ARG A 29 0.620 -3.429 -2.363 1.00 13.42 H new ATOM 0 HE ARG A 29 -1.439 -4.351 -2.884 1.00 75.22 H new ATOM 0 HH11 ARG A 29 -1.654 -0.932 -3.860 1.00 35.50 H new ATOM 0 HH12 ARG A 29 -3.072 -1.231 -4.869 1.00 35.50 H new ATOM 0 HH21 ARG A 29 -3.103 -4.680 -4.369 1.00 54.45 H new ATOM 0 HH22 ARG A 29 -3.866 -3.290 -5.149 1.00 54.45 H new ATOM 429 N ASN A 30 -1.484 0.901 -0.089 1.00 14.41 N ATOM 430 CA ASN A 30 -2.309 2.029 -0.520 1.00 75.24 C ATOM 431 C ASN A 30 -2.303 3.142 0.516 1.00 60.51 C ATOM 432 O ASN A 30 -2.572 4.291 0.188 1.00 2.00 O ATOM 433 CB ASN A 30 -3.751 1.579 -0.804 1.00 21.43 C ATOM 434 CG ASN A 30 -3.791 0.643 -1.999 1.00 74.35 C ATOM 435 OD1 ASN A 30 -3.105 0.881 -2.989 1.00 75.25 O ATOM 436 ND2 ASN A 30 -4.523 -0.450 -1.930 1.00 64.23 N ATOM 0 H ASN A 30 -2.022 0.085 0.203 1.00 14.41 H new ATOM 0 HA ASN A 30 -1.877 2.416 -1.443 1.00 75.24 H new ATOM 0 HB2 ASN A 30 -4.161 1.077 0.072 1.00 21.43 H new ATOM 0 HB3 ASN A 30 -4.379 2.449 -0.995 1.00 21.43 H new ATOM 0 HD21 ASN A 30 -4.525 -1.112 -2.706 1.00 64.23 H new ATOM 0 HD22 ASN A 30 -5.088 -0.634 -1.101 1.00 64.23 H new ATOM 442 N ARG A 31 -1.950 2.839 1.764 1.00 13.43 N ATOM 443 CA ARG A 31 -1.720 3.788 2.850 1.00 0.11 C ATOM 444 C ARG A 31 -0.384 4.523 2.710 1.00 41.45 C ATOM 445 O ARG A 31 -0.089 5.380 3.540 1.00 31.14 O ATOM 446 CB ARG A 31 -1.762 2.988 4.158 1.00 71.42 C ATOM 447 CG ARG A 31 -1.992 3.822 5.421 1.00 3.43 C ATOM 448 CD ARG A 31 -0.805 3.673 6.383 1.00 10.24 C ATOM 449 NE ARG A 31 -0.796 4.774 7.346 1.00 22.04 N ATOM 450 CZ ARG A 31 -0.732 4.733 8.676 1.00 14.30 C ATOM 451 NH1 ARG A 31 -0.673 3.577 9.329 1.00 52.34 N ATOM 452 NH2 ARG A 31 -0.727 5.883 9.331 1.00 23.41 N ATOM 0 H ARG A 31 -1.809 1.873 2.060 1.00 13.43 H new ATOM 0 HA ARG A 31 -2.489 4.561 2.830 1.00 0.11 H new ATOM 0 HB2 ARG A 31 -2.553 2.242 4.085 1.00 71.42 H new ATOM 0 HB3 ARG A 31 -0.822 2.446 4.265 1.00 71.42 H new ATOM 0 HG2 ARG A 31 -2.122 4.871 5.154 1.00 3.43 H new ATOM 0 HG3 ARG A 31 -2.910 3.502 5.914 1.00 3.43 H new ATOM 0 HD2 ARG A 31 -0.871 2.720 6.909 1.00 10.24 H new ATOM 0 HD3 ARG A 31 0.129 3.663 5.821 1.00 10.24 H new ATOM 0 HE ARG A 31 -0.846 5.709 6.940 1.00 22.04 H new ATOM 0 HH11 ARG A 31 -0.676 2.698 8.811 1.00 52.34 H new ATOM 0 HH12 ARG A 31 -0.625 3.569 10.348 1.00 52.34 H new ATOM 0 HH21 ARG A 31 -0.771 6.763 8.817 1.00 23.41 H new ATOM 0 HH22 ARG A 31 -0.679 5.889 10.350 1.00 23.41 H new ATOM 463 N LEU A 32 0.421 4.178 1.700 1.00 51.21 N ATOM 464 CA LEU A 32 1.765 4.714 1.476 1.00 54.55 C ATOM 465 C LEU A 32 1.870 5.468 0.151 1.00 64.24 C ATOM 466 O LEU A 32 2.627 6.439 0.073 1.00 51.04 O ATOM 467 CB LEU A 32 2.822 3.595 1.513 1.00 15.23 C ATOM 468 CG LEU A 32 2.673 2.600 2.674 1.00 74.14 C ATOM 469 CD1 LEU A 32 3.611 1.420 2.493 1.00 21.12 C ATOM 470 CD2 LEU A 32 2.913 3.191 4.054 1.00 10.51 C ATOM 0 H LEU A 32 0.145 3.496 0.994 1.00 51.21 H new ATOM 0 HA LEU A 32 1.956 5.418 2.286 1.00 54.55 H new ATOM 0 HB2 LEU A 32 2.779 3.044 0.574 1.00 15.23 H new ATOM 0 HB3 LEU A 32 3.810 4.051 1.570 1.00 15.23 H new ATOM 0 HG LEU A 32 1.629 2.290 2.635 1.00 74.14 H new ATOM 0 HD11 LEU A 32 3.489 0.728 3.326 1.00 21.12 H new ATOM 0 HD12 LEU A 32 3.377 0.909 1.559 1.00 21.12 H new ATOM 0 HD13 LEU A 32 4.641 1.775 2.464 1.00 21.12 H new ATOM 0 HD21 LEU A 32 2.786 2.415 4.809 1.00 10.51 H new ATOM 0 HD22 LEU A 32 3.927 3.588 4.109 1.00 10.51 H new ATOM 0 HD23 LEU A 32 2.199 3.994 4.235 1.00 10.51 H new ATOM 481 N LEU A 33 1.149 5.063 -0.907 1.00 12.11 N ATOM 482 CA LEU A 33 1.193 5.757 -2.197 1.00 2.42 C ATOM 483 C LEU A 33 0.671 7.192 -2.066 1.00 24.10 C ATOM 484 O LEU A 33 1.164 8.089 -2.745 1.00 4.30 O ATOM 485 CB LEU A 33 0.404 4.967 -3.267 1.00 53.23 C ATOM 486 CG LEU A 33 1.297 4.361 -4.379 1.00 75.44 C ATOM 487 CD1 LEU A 33 1.161 2.837 -4.439 1.00 21.11 C ATOM 488 CD2 LEU A 33 1.010 4.885 -5.785 1.00 51.14 C ATOM 0 H LEU A 33 0.527 4.255 -0.890 1.00 12.11 H new ATOM 0 HA LEU A 33 2.232 5.814 -2.520 1.00 2.42 H new ATOM 0 HB2 LEU A 33 -0.148 4.164 -2.779 1.00 53.23 H new ATOM 0 HB3 LEU A 33 -0.332 5.628 -3.724 1.00 53.23 H new ATOM 0 HG LEU A 33 2.303 4.669 -4.094 1.00 75.44 H new ATOM 0 HD11 LEU A 33 1.801 2.445 -5.230 1.00 21.11 H new ATOM 0 HD12 LEU A 33 1.461 2.407 -3.483 1.00 21.11 H new ATOM 0 HD13 LEU A 33 0.124 2.572 -4.647 1.00 21.11 H new ATOM 0 HD21 LEU A 33 1.682 4.405 -6.496 1.00 51.14 H new ATOM 0 HD22 LEU A 33 -0.022 4.661 -6.053 1.00 51.14 H new ATOM 0 HD23 LEU A 33 1.165 5.964 -5.810 1.00 51.14 H new ATOM 499 N GLY A 34 -0.242 7.450 -1.130 1.00 14.40 N ATOM 500 CA GLY A 34 -0.732 8.790 -0.864 1.00 54.02 C ATOM 501 C GLY A 34 0.223 9.586 0.018 1.00 23.42 C ATOM 502 O GLY A 34 0.265 10.799 -0.119 1.00 5.24 O ATOM 0 H GLY A 34 -0.659 6.732 -0.538 1.00 14.40 H new ATOM 0 HA2 GLY A 34 -0.877 9.316 -1.807 1.00 54.02 H new ATOM 0 HA3 GLY A 34 -1.707 8.730 -0.380 1.00 54.02 H new ATOM 506 N GLU A 35 1.038 8.952 0.872 1.00 62.12 N ATOM 507 CA GLU A 35 2.084 9.652 1.636 1.00 43.42 C ATOM 508 C GLU A 35 3.180 10.148 0.671 1.00 54.41 C ATOM 509 O GLU A 35 3.883 11.124 0.929 1.00 33.50 O ATOM 510 CB GLU A 35 2.741 8.723 2.676 1.00 62.25 C ATOM 511 CG GLU A 35 1.811 7.920 3.594 1.00 5.23 C ATOM 512 CD GLU A 35 1.449 8.602 4.917 1.00 71.33 C ATOM 513 OE1 GLU A 35 1.071 9.788 4.939 1.00 74.15 O ATOM 514 OE2 GLU A 35 1.403 7.880 5.945 1.00 10.31 O ATOM 0 H GLU A 35 0.993 7.949 1.053 1.00 62.12 H new ATOM 0 HA GLU A 35 1.613 10.487 2.155 1.00 43.42 H new ATOM 0 HB2 GLU A 35 3.378 8.018 2.142 1.00 62.25 H new ATOM 0 HB3 GLU A 35 3.393 9.329 3.305 1.00 62.25 H new ATOM 0 HG2 GLU A 35 0.890 7.704 3.052 1.00 5.23 H new ATOM 0 HG3 GLU A 35 2.283 6.963 3.815 1.00 5.23 H new ATOM 519 N TRP A 36 3.384 9.430 -0.439 1.00 71.52 N ATOM 520 CA TRP A 36 4.222 9.859 -1.554 1.00 62.35 C ATOM 521 C TRP A 36 3.525 11.028 -2.259 1.00 65.34 C ATOM 522 O TRP A 36 4.022 12.153 -2.220 1.00 10.03 O ATOM 523 CB TRP A 36 4.493 8.652 -2.471 1.00 21.24 C ATOM 524 CG TRP A 36 5.073 8.940 -3.817 1.00 62.55 C ATOM 525 CD1 TRP A 36 6.274 9.516 -4.059 1.00 63.13 C ATOM 526 CD2 TRP A 36 4.458 8.716 -5.127 1.00 12.31 C ATOM 527 NE1 TRP A 36 6.441 9.666 -5.419 1.00 23.54 N ATOM 528 CE2 TRP A 36 5.335 9.242 -6.119 1.00 54.02 C ATOM 529 CE3 TRP A 36 3.243 8.148 -5.582 1.00 1.44 C ATOM 530 CZ2 TRP A 36 4.995 9.282 -7.477 1.00 3.40 C ATOM 531 CZ3 TRP A 36 2.891 8.190 -6.948 1.00 35.32 C ATOM 532 CH2 TRP A 36 3.754 8.778 -7.891 1.00 63.43 C ATOM 0 H TRP A 36 2.959 8.514 -0.586 1.00 71.52 H new ATOM 0 HA TRP A 36 5.196 10.219 -1.221 1.00 62.35 H new ATOM 0 HB2 TRP A 36 5.169 7.975 -1.949 1.00 21.24 H new ATOM 0 HB3 TRP A 36 3.554 8.118 -2.614 1.00 21.24 H new ATOM 0 HD1 TRP A 36 6.989 9.811 -3.305 1.00 63.13 H new ATOM 0 HE1 TRP A 36 7.282 10.045 -5.854 1.00 23.54 H new ATOM 0 HE3 TRP A 36 2.577 7.677 -4.874 1.00 1.44 H new ATOM 0 HZ2 TRP A 36 5.683 9.697 -8.199 1.00 3.40 H new ATOM 0 HZ3 TRP A 36 1.952 7.767 -7.272 1.00 35.32 H new ATOM 0 HH2 TRP A 36 3.462 8.841 -8.929 1.00 63.43 H new ATOM 542 N ALA A 37 2.342 10.789 -2.835 1.00 53.23 N ATOM 543 CA ALA A 37 1.625 11.760 -3.652 1.00 14.00 C ATOM 544 C ALA A 37 1.344 13.076 -2.921 1.00 34.20 C ATOM 545 O ALA A 37 1.466 14.140 -3.521 1.00 25.23 O ATOM 546 CB ALA A 37 0.321 11.134 -4.134 1.00 3.42 C ATOM 0 H ALA A 37 1.852 9.899 -2.742 1.00 53.23 H new ATOM 0 HA ALA A 37 2.265 12.014 -4.497 1.00 14.00 H new ATOM 0 HB1 ALA A 37 -0.223 11.853 -4.746 1.00 3.42 H new ATOM 0 HB2 ALA A 37 0.541 10.246 -4.726 1.00 3.42 H new ATOM 0 HB3 ALA A 37 -0.288 10.855 -3.274 1.00 3.42 H new ATOM 552 N ALA A 38 1.028 13.029 -1.626 1.00 71.43 N ATOM 553 CA ALA A 38 0.830 14.205 -0.794 1.00 12.44 C ATOM 554 C ALA A 38 2.051 15.130 -0.863 1.00 2.40 C ATOM 555 O ALA A 38 1.894 16.343 -0.992 1.00 34.32 O ATOM 556 CB ALA A 38 0.540 13.768 0.646 1.00 31.51 C ATOM 0 H ALA A 38 0.901 12.152 -1.121 1.00 71.43 H new ATOM 0 HA ALA A 38 -0.025 14.770 -1.165 1.00 12.44 H new ATOM 0 HB1 ALA A 38 0.391 14.649 1.271 1.00 31.51 H new ATOM 0 HB2 ALA A 38 -0.360 13.153 0.665 1.00 31.51 H new ATOM 0 HB3 ALA A 38 1.382 13.191 1.028 1.00 31.51 H new ATOM 562 N GLY A 39 3.270 14.580 -0.843 1.00 42.35 N ATOM 563 CA GLY A 39 4.500 15.359 -0.949 1.00 54.22 C ATOM 564 C GLY A 39 4.693 16.020 -2.310 1.00 41.12 C ATOM 565 O GLY A 39 5.383 17.036 -2.394 1.00 22.33 O ATOM 0 H GLY A 39 3.428 13.576 -0.752 1.00 42.35 H new ATOM 0 HA2 GLY A 39 4.499 16.129 -0.178 1.00 54.22 H new ATOM 0 HA3 GLY A 39 5.350 14.708 -0.748 1.00 54.22 H new ATOM 569 N LEU A 40 4.085 15.468 -3.362 1.00 1.23 N ATOM 570 CA LEU A 40 4.203 15.927 -4.737 1.00 41.05 C ATOM 571 C LEU A 40 3.183 17.017 -5.020 1.00 64.51 C ATOM 572 O LEU A 40 3.544 18.063 -5.557 1.00 41.02 O ATOM 573 CB LEU A 40 3.973 14.733 -5.674 1.00 74.54 C ATOM 574 CG LEU A 40 5.108 13.704 -5.609 1.00 53.42 C ATOM 575 CD1 LEU A 40 4.676 12.406 -6.277 1.00 41.11 C ATOM 576 CD2 LEU A 40 6.325 14.240 -6.349 1.00 40.22 C ATOM 0 H LEU A 40 3.474 14.657 -3.270 1.00 1.23 H new ATOM 0 HA LEU A 40 5.198 16.342 -4.901 1.00 41.05 H new ATOM 0 HB2 LEU A 40 3.032 14.248 -5.414 1.00 74.54 H new ATOM 0 HB3 LEU A 40 3.873 15.094 -6.698 1.00 74.54 H new ATOM 0 HG LEU A 40 5.351 13.519 -4.562 1.00 53.42 H new ATOM 0 HD11 LEU A 40 5.489 11.682 -6.225 1.00 41.11 H new ATOM 0 HD12 LEU A 40 3.801 12.006 -5.764 1.00 41.11 H new ATOM 0 HD13 LEU A 40 4.428 12.599 -7.321 1.00 41.11 H new ATOM 0 HD21 LEU A 40 7.131 13.508 -6.302 1.00 40.22 H new ATOM 0 HD22 LEU A 40 6.064 14.426 -7.391 1.00 40.22 H new ATOM 0 HD23 LEU A 40 6.652 15.170 -5.885 1.00 40.22 H new ATOM 587 N LEU A 41 1.927 16.793 -4.624 1.00 32.33 N ATOM 588 CA LEU A 41 0.878 17.806 -4.599 1.00 32.33 C ATOM 589 C LEU A 41 1.332 18.985 -3.738 1.00 14.24 C ATOM 590 O LEU A 41 0.987 20.126 -4.028 1.00 41.33 O ATOM 591 CB LEU A 41 -0.402 17.195 -4.021 1.00 43.13 C ATOM 592 CG LEU A 41 -0.988 16.034 -4.848 1.00 44.32 C ATOM 593 CD1 LEU A 41 -1.822 15.125 -3.957 1.00 43.33 C ATOM 594 CD2 LEU A 41 -1.875 16.500 -6.001 1.00 40.24 C ATOM 0 H LEU A 41 1.608 15.878 -4.305 1.00 32.33 H new ATOM 0 HA LEU A 41 0.680 18.159 -5.611 1.00 32.33 H new ATOM 0 HB2 LEU A 41 -0.195 16.837 -3.012 1.00 43.13 H new ATOM 0 HB3 LEU A 41 -1.155 17.978 -3.933 1.00 43.13 H new ATOM 0 HG LEU A 41 -0.132 15.507 -5.268 1.00 44.32 H new ATOM 0 HD11 LEU A 41 -2.231 14.308 -4.552 1.00 43.33 H new ATOM 0 HD12 LEU A 41 -1.195 14.718 -3.164 1.00 43.33 H new ATOM 0 HD13 LEU A 41 -2.638 15.697 -3.516 1.00 43.33 H new ATOM 0 HD21 LEU A 41 -2.254 15.633 -6.542 1.00 40.24 H new ATOM 0 HD22 LEU A 41 -2.712 17.076 -5.606 1.00 40.24 H new ATOM 0 HD23 LEU A 41 -1.293 17.124 -6.679 1.00 40.24 H new ATOM 605 N GLY A 42 2.141 18.713 -2.709 1.00 45.44 N ATOM 606 CA GLY A 42 2.646 19.709 -1.786 1.00 51.11 C ATOM 607 C GLY A 42 1.620 19.971 -0.699 1.00 70.52 C ATOM 608 O GLY A 42 1.301 21.124 -0.408 1.00 25.13 O ATOM 0 H GLY A 42 2.465 17.769 -2.498 1.00 45.44 H new ATOM 0 HA2 GLY A 42 3.580 19.366 -1.342 1.00 51.11 H new ATOM 0 HA3 GLY A 42 2.868 20.633 -2.320 1.00 51.11 H new ATOM 612 N LYS A 43 1.066 18.896 -0.138 1.00 63.32 N ATOM 613 CA LYS A 43 0.124 18.969 0.957 1.00 51.05 C ATOM 614 C LYS A 43 0.852 19.231 2.258 1.00 10.34 C ATOM 615 O LYS A 43 1.990 18.792 2.450 1.00 31.54 O ATOM 616 CB LYS A 43 -0.685 17.671 1.079 1.00 1.13 C ATOM 617 CG LYS A 43 -1.566 17.341 -0.129 1.00 22.10 C ATOM 618 CD LYS A 43 -2.423 18.543 -0.527 1.00 21.53 C ATOM 619 CE LYS A 43 -3.551 18.156 -1.470 1.00 30.31 C ATOM 620 NZ LYS A 43 -4.589 19.205 -1.453 1.00 74.35 N ATOM 0 H LYS A 43 1.267 17.943 -0.441 1.00 63.32 H new ATOM 0 HA LYS A 43 -0.563 19.790 0.751 1.00 51.05 H new ATOM 0 HB2 LYS A 43 0.006 16.844 1.242 1.00 1.13 H new ATOM 0 HB3 LYS A 43 -1.318 17.737 1.964 1.00 1.13 H new ATOM 0 HG2 LYS A 43 -0.940 17.042 -0.970 1.00 22.10 H new ATOM 0 HG3 LYS A 43 -2.209 16.493 0.106 1.00 22.10 H new ATOM 0 HD2 LYS A 43 -2.842 19.001 0.369 1.00 21.53 H new ATOM 0 HD3 LYS A 43 -1.794 19.294 -1.005 1.00 21.53 H new ATOM 0 HE2 LYS A 43 -3.166 18.027 -2.481 1.00 30.31 H new ATOM 0 HE3 LYS A 43 -3.980 17.200 -1.168 1.00 30.31 H new ATOM 0 HZ1 LYS A 43 -5.405 18.895 -2.018 1.00 74.35 H new ATOM 0 HZ2 LYS A 43 -4.891 19.378 -0.473 1.00 74.35 H new ATOM 0 HZ3 LYS A 43 -4.203 20.082 -1.856 1.00 74.35 H new ATOM 630 N THR A 44 0.161 19.888 3.178 1.00 4.44 N ATOM 631 CA THR A 44 0.740 20.376 4.413 1.00 3.11 C ATOM 632 C THR A 44 -0.329 20.382 5.497 1.00 42.34 C ATOM 633 O THR A 44 -1.457 20.800 5.233 1.00 31.34 O ATOM 634 CB THR A 44 1.223 21.817 4.188 1.00 71.22 C ATOM 635 OG1 THR A 44 0.158 22.619 3.685 1.00 33.40 O ATOM 636 CG2 THR A 44 2.392 21.948 3.208 1.00 44.04 C ATOM 0 H THR A 44 -0.832 20.098 3.082 1.00 4.44 H new ATOM 0 HA THR A 44 1.570 19.738 4.716 1.00 3.11 H new ATOM 0 HB THR A 44 1.568 22.152 5.166 1.00 71.22 H new ATOM 0 HG1 THR A 44 -0.700 22.208 3.920 1.00 33.40 H new ATOM 0 HG21 THR A 44 2.668 22.998 3.109 1.00 44.04 H new ATOM 0 HG22 THR A 44 3.245 21.382 3.582 1.00 44.04 H new ATOM 0 HG23 THR A 44 2.096 21.557 2.234 1.00 44.04 H new ATOM 644 N GLY A 45 0.025 20.068 6.738 1.00 51.31 N ATOM 645 CA GLY A 45 -0.943 19.953 7.810 1.00 12.43 C ATOM 646 C GLY A 45 -1.896 18.806 7.504 1.00 4.04 C ATOM 647 O GLY A 45 -1.516 17.810 6.882 1.00 62.21 O ATOM 0 H GLY A 45 0.988 19.888 7.023 1.00 51.31 H new ATOM 0 HA2 GLY A 45 -0.434 19.776 8.758 1.00 12.43 H new ATOM 0 HA3 GLY A 45 -1.499 20.885 7.916 1.00 12.43 H new ATOM 651 N ASP A 46 -3.135 18.930 7.968 1.00 24.11 N ATOM 652 CA ASP A 46 -4.071 17.812 7.974 1.00 74.53 C ATOM 653 C ASP A 46 -4.534 17.434 6.560 1.00 52.45 C ATOM 654 O ASP A 46 -5.103 16.364 6.354 1.00 30.14 O ATOM 655 CB ASP A 46 -5.265 18.143 8.882 1.00 65.24 C ATOM 656 CG ASP A 46 -5.623 17.010 9.838 1.00 2.02 C ATOM 657 OD1 ASP A 46 -4.875 16.830 10.830 1.00 54.11 O ATOM 658 OD2 ASP A 46 -6.691 16.371 9.690 1.00 1.23 O ATOM 0 H ASP A 46 -3.515 19.798 8.346 1.00 24.11 H new ATOM 0 HA ASP A 46 -3.553 16.939 8.370 1.00 74.53 H new ATOM 0 HB2 ASP A 46 -5.037 19.039 9.459 1.00 65.24 H new ATOM 0 HB3 ASP A 46 -6.131 18.375 8.263 1.00 65.24 H new ATOM 662 N ASP A 47 -4.241 18.283 5.570 1.00 2.21 N ATOM 663 CA ASP A 47 -4.448 18.032 4.145 1.00 44.34 C ATOM 664 C ASP A 47 -3.724 16.766 3.710 1.00 51.12 C ATOM 665 O ASP A 47 -4.285 15.958 2.968 1.00 30.42 O ATOM 666 CB ASP A 47 -3.881 19.193 3.311 1.00 22.53 C ATOM 667 CG ASP A 47 -4.957 19.939 2.543 1.00 25.20 C ATOM 668 OD1 ASP A 47 -5.268 19.518 1.401 1.00 4.31 O ATOM 669 OD2 ASP A 47 -5.488 20.937 3.079 1.00 64.41 O ATOM 0 H ASP A 47 -3.836 19.202 5.750 1.00 2.21 H new ATOM 0 HA ASP A 47 -5.521 17.929 3.985 1.00 44.34 H new ATOM 0 HB2 ASP A 47 -3.361 19.889 3.970 1.00 22.53 H new ATOM 0 HB3 ASP A 47 -3.142 18.805 2.610 1.00 22.53 H new ATOM 673 N ALA A 48 -2.466 16.621 4.144 1.00 14.31 N ATOM 674 CA ALA A 48 -1.608 15.518 3.742 1.00 44.45 C ATOM 675 C ALA A 48 -2.170 14.219 4.305 1.00 62.44 C ATOM 676 O ALA A 48 -2.210 13.198 3.621 1.00 34.43 O ATOM 677 CB ALA A 48 -0.180 15.768 4.247 1.00 54.45 C ATOM 0 H ALA A 48 -2.019 17.274 4.788 1.00 14.31 H new ATOM 0 HA ALA A 48 -1.576 15.442 2.655 1.00 44.45 H new ATOM 0 HB1 ALA A 48 0.463 14.941 3.945 1.00 54.45 H new ATOM 0 HB2 ALA A 48 0.199 16.697 3.820 1.00 54.45 H new ATOM 0 HB3 ALA A 48 -0.187 15.844 5.334 1.00 54.45 H new ATOM 683 N ARG A 49 -2.653 14.293 5.548 1.00 51.13 N ATOM 684 CA ARG A 49 -3.254 13.174 6.255 1.00 1.32 C ATOM 685 C ARG A 49 -4.476 12.707 5.482 1.00 62.12 C ATOM 686 O ARG A 49 -4.529 11.555 5.063 1.00 50.24 O ATOM 687 CB ARG A 49 -3.610 13.565 7.698 1.00 61.53 C ATOM 688 CG ARG A 49 -2.394 14.047 8.502 1.00 50.34 C ATOM 689 CD ARG A 49 -2.870 14.540 9.868 1.00 52.25 C ATOM 690 NE ARG A 49 -2.888 13.489 10.892 1.00 72.53 N ATOM 691 CZ ARG A 49 -3.264 13.681 12.160 1.00 32.11 C ATOM 692 NH1 ARG A 49 -3.835 14.818 12.539 1.00 71.25 N ATOM 693 NH2 ARG A 49 -3.034 12.730 13.053 1.00 43.44 N ATOM 0 H ARG A 49 -2.634 15.153 6.097 1.00 51.13 H new ATOM 0 HA ARG A 49 -2.541 12.352 6.319 1.00 1.32 H new ATOM 0 HB2 ARG A 49 -4.363 14.352 7.681 1.00 61.53 H new ATOM 0 HB3 ARG A 49 -4.056 12.708 8.202 1.00 61.53 H new ATOM 0 HG2 ARG A 49 -1.676 13.236 8.623 1.00 50.34 H new ATOM 0 HG3 ARG A 49 -1.883 14.848 7.969 1.00 50.34 H new ATOM 0 HD2 ARG A 49 -2.221 15.350 10.200 1.00 52.25 H new ATOM 0 HD3 ARG A 49 -3.872 14.956 9.767 1.00 52.25 H new ATOM 0 HE ARG A 49 -2.595 12.551 10.618 1.00 72.53 H new ATOM 0 HH11 ARG A 49 -3.993 15.561 11.858 1.00 71.25 H new ATOM 0 HH12 ARG A 49 -4.116 14.948 13.511 1.00 71.25 H new ATOM 0 HH21 ARG A 49 -2.575 11.864 12.769 1.00 43.44 H new ATOM 0 HH22 ARG A 49 -3.316 12.863 14.024 1.00 43.44 H new ATOM 704 N ALA A 50 -5.433 13.610 5.253 1.00 3.02 N ATOM 705 CA ALA A 50 -6.674 13.288 4.570 1.00 73.55 C ATOM 706 C ALA A 50 -6.401 12.612 3.221 1.00 45.03 C ATOM 707 O ALA A 50 -7.043 11.604 2.920 1.00 42.15 O ATOM 708 CB ALA A 50 -7.518 14.555 4.406 1.00 32.31 C ATOM 0 H ALA A 50 -5.362 14.586 5.540 1.00 3.02 H new ATOM 0 HA ALA A 50 -7.237 12.577 5.174 1.00 73.55 H new ATOM 0 HB1 ALA A 50 -8.448 14.309 3.893 1.00 32.31 H new ATOM 0 HB2 ALA A 50 -7.744 14.971 5.388 1.00 32.31 H new ATOM 0 HB3 ALA A 50 -6.964 15.288 3.820 1.00 32.31 H new ATOM 714 N TYR A 51 -5.445 13.135 2.444 1.00 4.12 N ATOM 715 CA TYR A 51 -5.056 12.566 1.160 1.00 25.44 C ATOM 716 C TYR A 51 -4.502 11.145 1.334 1.00 45.44 C ATOM 717 O TYR A 51 -4.941 10.204 0.668 1.00 44.33 O ATOM 718 CB TYR A 51 -4.018 13.471 0.479 1.00 23.43 C ATOM 719 CG TYR A 51 -3.790 13.093 -0.968 1.00 62.53 C ATOM 720 CD1 TYR A 51 -2.998 11.974 -1.292 1.00 50.32 C ATOM 721 CD2 TYR A 51 -4.446 13.806 -1.986 1.00 33.50 C ATOM 722 CE1 TYR A 51 -2.963 11.494 -2.611 1.00 14.32 C ATOM 723 CE2 TYR A 51 -4.357 13.367 -3.317 1.00 73.33 C ATOM 724 CZ TYR A 51 -3.660 12.180 -3.626 1.00 42.04 C ATOM 725 OH TYR A 51 -3.683 11.696 -4.897 1.00 31.44 O ATOM 0 H TYR A 51 -4.919 13.972 2.696 1.00 4.12 H new ATOM 0 HA TYR A 51 -5.941 12.504 0.526 1.00 25.44 H new ATOM 0 HB2 TYR A 51 -4.351 14.507 0.534 1.00 23.43 H new ATOM 0 HB3 TYR A 51 -3.074 13.410 1.021 1.00 23.43 H new ATOM 0 HD1 TYR A 51 -2.417 11.485 -0.525 1.00 50.32 H new ATOM 0 HD2 TYR A 51 -5.018 14.690 -1.745 1.00 33.50 H new ATOM 0 HE1 TYR A 51 -2.403 10.601 -2.847 1.00 14.32 H new ATOM 0 HE2 TYR A 51 -4.823 13.939 -4.106 1.00 73.33 H new ATOM 0 HH TYR A 51 -4.559 11.874 -5.299 1.00 31.44 H new ATOM 734 N ALA A 52 -3.519 10.963 2.218 1.00 12.00 N ATOM 735 CA ALA A 52 -2.888 9.667 2.432 1.00 13.12 C ATOM 736 C ALA A 52 -3.884 8.613 2.934 1.00 62.21 C ATOM 737 O ALA A 52 -3.666 7.412 2.748 1.00 14.12 O ATOM 738 CB ALA A 52 -1.724 9.824 3.411 1.00 73.24 C ATOM 0 H ALA A 52 -3.142 11.709 2.802 1.00 12.00 H new ATOM 0 HA ALA A 52 -2.513 9.310 1.473 1.00 13.12 H new ATOM 0 HB1 ALA A 52 -1.251 8.855 3.572 1.00 73.24 H new ATOM 0 HB2 ALA A 52 -0.994 10.521 2.999 1.00 73.24 H new ATOM 0 HB3 ALA A 52 -2.097 10.208 4.361 1.00 73.24 H new ATOM 744 N LEU A 53 -4.986 9.041 3.550 1.00 4.32 N ATOM 745 CA LEU A 53 -5.878 8.193 4.326 1.00 2.01 C ATOM 746 C LEU A 53 -7.268 8.093 3.693 1.00 14.12 C ATOM 747 O LEU A 53 -8.196 7.648 4.372 1.00 63.15 O ATOM 748 CB LEU A 53 -5.903 8.696 5.780 1.00 4.42 C ATOM 749 CG LEU A 53 -4.543 8.567 6.500 1.00 31.54 C ATOM 750 CD1 LEU A 53 -4.529 9.478 7.725 1.00 21.34 C ATOM 751 CD2 LEU A 53 -4.283 7.117 6.938 1.00 34.13 C ATOM 0 H LEU A 53 -5.287 10.015 3.519 1.00 4.32 H new ATOM 0 HA LEU A 53 -5.501 7.170 4.328 1.00 2.01 H new ATOM 0 HB2 LEU A 53 -6.212 9.741 5.789 1.00 4.42 H new ATOM 0 HB3 LEU A 53 -6.654 8.136 6.337 1.00 4.42 H new ATOM 0 HG LEU A 53 -3.757 8.862 5.805 1.00 31.54 H new ATOM 0 HD11 LEU A 53 -3.570 9.388 8.234 1.00 21.34 H new ATOM 0 HD12 LEU A 53 -4.678 10.511 7.412 1.00 21.34 H new ATOM 0 HD13 LEU A 53 -5.329 9.186 8.405 1.00 21.34 H new ATOM 0 HD21 LEU A 53 -3.318 7.057 7.442 1.00 34.13 H new ATOM 0 HD22 LEU A 53 -5.070 6.796 7.621 1.00 34.13 H new ATOM 0 HD23 LEU A 53 -4.276 6.468 6.062 1.00 34.13 H new ATOM 762 N THR A 54 -7.432 8.430 2.407 1.00 12.10 N ATOM 763 CA THR A 54 -8.692 8.253 1.675 1.00 43.45 C ATOM 764 C THR A 54 -8.619 7.090 0.678 1.00 73.11 C ATOM 765 O THR A 54 -9.646 6.585 0.235 1.00 54.25 O ATOM 766 CB THR A 54 -9.056 9.577 0.979 1.00 32.12 C ATOM 767 OG1 THR A 54 -10.419 9.633 0.597 1.00 23.34 O ATOM 768 CG2 THR A 54 -8.195 9.879 -0.251 1.00 44.11 C ATOM 0 H THR A 54 -6.687 8.837 1.841 1.00 12.10 H new ATOM 0 HA THR A 54 -9.478 7.992 2.384 1.00 43.45 H new ATOM 0 HB THR A 54 -8.857 10.336 1.735 1.00 32.12 H new ATOM 0 HG1 THR A 54 -10.602 10.492 0.161 1.00 23.34 H new ATOM 0 HG21 THR A 54 -8.507 10.826 -0.690 1.00 44.11 H new ATOM 0 HG22 THR A 54 -7.148 9.944 0.045 1.00 44.11 H new ATOM 0 HG23 THR A 54 -8.316 9.082 -0.984 1.00 44.11 H new ATOM 776 N VAL A 55 -7.420 6.660 0.288 1.00 21.22 N ATOM 777 CA VAL A 55 -7.246 5.677 -0.777 1.00 33.31 C ATOM 778 C VAL A 55 -7.234 4.236 -0.253 1.00 44.02 C ATOM 779 O VAL A 55 -7.324 3.291 -1.037 1.00 1.10 O ATOM 780 CB VAL A 55 -5.976 6.015 -1.575 1.00 44.03 C ATOM 781 CG1 VAL A 55 -6.272 7.143 -2.572 1.00 41.41 C ATOM 782 CG2 VAL A 55 -4.787 6.408 -0.682 1.00 42.33 C ATOM 0 H VAL A 55 -6.545 6.983 0.701 1.00 21.22 H new ATOM 0 HA VAL A 55 -8.107 5.733 -1.443 1.00 33.31 H new ATOM 0 HB VAL A 55 -5.686 5.107 -2.105 1.00 44.03 H new ATOM 0 HG11 VAL A 55 -5.368 7.378 -3.134 1.00 41.41 H new ATOM 0 HG12 VAL A 55 -7.055 6.824 -3.260 1.00 41.41 H new ATOM 0 HG13 VAL A 55 -6.603 8.029 -2.031 1.00 41.41 H new ATOM 0 HG21 VAL A 55 -3.922 6.634 -1.306 1.00 42.33 H new ATOM 0 HG22 VAL A 55 -5.049 7.287 -0.093 1.00 42.33 H new ATOM 0 HG23 VAL A 55 -4.545 5.582 -0.013 1.00 42.33 H new ATOM 792 N VAL A 56 -7.165 4.041 1.063 1.00 3.23 N ATOM 793 CA VAL A 56 -7.024 2.749 1.727 1.00 75.24 C ATOM 794 C VAL A 56 -8.428 2.146 1.912 1.00 62.33 C ATOM 795 O VAL A 56 -8.808 1.721 3.005 1.00 62.51 O ATOM 796 CB VAL A 56 -6.248 2.924 3.058 1.00 42.13 C ATOM 797 CG1 VAL A 56 -5.558 1.606 3.424 1.00 33.22 C ATOM 798 CG2 VAL A 56 -5.190 4.041 3.027 1.00 75.42 C ATOM 0 H VAL A 56 -7.208 4.816 1.725 1.00 3.23 H new ATOM 0 HA VAL A 56 -6.440 2.052 1.125 1.00 75.24 H new ATOM 0 HB VAL A 56 -6.990 3.212 3.803 1.00 42.13 H new ATOM 0 HG11 VAL A 56 -5.012 1.729 4.360 1.00 33.22 H new ATOM 0 HG12 VAL A 56 -6.307 0.823 3.541 1.00 33.22 H new ATOM 0 HG13 VAL A 56 -4.863 1.327 2.632 1.00 33.22 H new ATOM 0 HG21 VAL A 56 -4.693 4.098 3.995 1.00 75.42 H new ATOM 0 HG22 VAL A 56 -4.454 3.823 2.253 1.00 75.42 H new ATOM 0 HG23 VAL A 56 -5.673 4.994 2.810 1.00 75.42 H new ATOM 808 N THR A 57 -9.230 2.205 0.850 1.00 31.32 N ATOM 809 CA THR A 57 -10.612 1.768 0.759 1.00 55.12 C ATOM 810 C THR A 57 -11.015 1.770 -0.724 1.00 23.30 C ATOM 811 O THR A 57 -11.672 0.831 -1.170 1.00 63.13 O ATOM 812 CB THR A 57 -11.519 2.639 1.665 1.00 22.34 C ATOM 813 OG1 THR A 57 -12.862 2.215 1.579 1.00 2.03 O ATOM 814 CG2 THR A 57 -11.454 4.142 1.380 1.00 40.04 C ATOM 0 H THR A 57 -8.899 2.590 -0.035 1.00 31.32 H new ATOM 0 HA THR A 57 -10.735 0.751 1.133 1.00 55.12 H new ATOM 0 HB THR A 57 -11.127 2.495 2.672 1.00 22.34 H new ATOM 0 HG1 THR A 57 -13.420 2.775 2.159 1.00 2.03 H new ATOM 0 HG21 THR A 57 -12.121 4.671 2.061 1.00 40.04 H new ATOM 0 HG22 THR A 57 -10.433 4.496 1.524 1.00 40.04 H new ATOM 0 HG23 THR A 57 -11.762 4.331 0.352 1.00 40.04 H new ATOM 822 N SER A 58 -10.568 2.763 -1.512 1.00 73.21 N ATOM 823 CA SER A 58 -10.799 2.796 -2.951 1.00 51.11 C ATOM 824 C SER A 58 -10.216 1.566 -3.642 1.00 75.25 C ATOM 825 O SER A 58 -10.861 1.035 -4.551 1.00 55.34 O ATOM 826 CB SER A 58 -10.235 4.091 -3.557 1.00 21.23 C ATOM 827 OG SER A 58 -10.911 5.228 -3.038 1.00 33.54 O ATOM 0 H SER A 58 -10.038 3.561 -1.161 1.00 73.21 H new ATOM 0 HA SER A 58 -11.876 2.779 -3.117 1.00 51.11 H new ATOM 0 HB2 SER A 58 -9.169 4.165 -3.340 1.00 21.23 H new ATOM 0 HB3 SER A 58 -10.338 4.065 -4.642 1.00 21.23 H new ATOM 0 HG SER A 58 -10.536 6.041 -3.435 1.00 33.54 H new ATOM 832 N ASP A 59 -9.038 1.094 -3.222 1.00 43.13 N ATOM 833 CA ASP A 59 -8.392 -0.064 -3.826 1.00 35.22 C ATOM 834 C ASP A 59 -8.447 -1.268 -2.883 1.00 75.53 C ATOM 835 O ASP A 59 -7.902 -1.212 -1.782 1.00 20.24 O ATOM 836 CB ASP A 59 -6.962 0.267 -4.257 1.00 0.31 C ATOM 837 CG ASP A 59 -6.256 -0.992 -4.761 1.00 44.42 C ATOM 838 OD1 ASP A 59 -6.927 -1.871 -5.340 1.00 23.41 O ATOM 839 OD2 ASP A 59 -5.041 -1.164 -4.553 1.00 12.11 O ATOM 0 H ASP A 59 -8.510 1.507 -2.454 1.00 43.13 H new ATOM 0 HA ASP A 59 -8.941 -0.334 -4.728 1.00 35.22 H new ATOM 0 HB2 ASP A 59 -6.977 1.023 -5.042 1.00 0.31 H new ATOM 0 HB3 ASP A 59 -6.410 0.690 -3.418 1.00 0.31 H new ATOM 843 N PHE A 60 -9.119 -2.339 -3.324 1.00 40.01 N ATOM 844 CA PHE A 60 -9.412 -3.555 -2.564 1.00 41.43 C ATOM 845 C PHE A 60 -9.225 -4.834 -3.406 1.00 54.03 C ATOM 846 O PHE A 60 -8.829 -5.869 -2.869 1.00 35.41 O ATOM 847 CB PHE A 60 -10.859 -3.429 -2.057 1.00 11.42 C ATOM 848 CG PHE A 60 -11.344 -4.543 -1.151 1.00 55.32 C ATOM 849 CD1 PHE A 60 -10.873 -4.633 0.172 1.00 52.25 C ATOM 850 CD2 PHE A 60 -12.307 -5.464 -1.606 1.00 42.24 C ATOM 851 CE1 PHE A 60 -11.362 -5.637 1.026 1.00 0.21 C ATOM 852 CE2 PHE A 60 -12.812 -6.450 -0.741 1.00 4.00 C ATOM 853 CZ PHE A 60 -12.325 -6.553 0.570 1.00 0.13 C ATOM 0 H PHE A 60 -9.492 -2.380 -4.272 1.00 40.01 H new ATOM 0 HA PHE A 60 -8.713 -3.649 -1.733 1.00 41.43 H new ATOM 0 HB2 PHE A 60 -10.955 -2.484 -1.522 1.00 11.42 H new ATOM 0 HB3 PHE A 60 -11.522 -3.375 -2.920 1.00 11.42 H new ATOM 0 HD1 PHE A 60 -10.136 -3.931 0.531 1.00 52.25 H new ATOM 0 HD2 PHE A 60 -12.660 -5.412 -2.626 1.00 42.24 H new ATOM 0 HE1 PHE A 60 -10.995 -5.705 2.039 1.00 0.21 H new ATOM 0 HE2 PHE A 60 -13.577 -7.130 -1.087 1.00 4.00 H new ATOM 0 HZ PHE A 60 -12.688 -7.331 1.225 1.00 0.13 H new ATOM 862 N ASP A 61 -9.461 -4.772 -4.720 1.00 4.02 N ATOM 863 CA ASP A 61 -9.394 -5.875 -5.695 1.00 74.35 C ATOM 864 C ASP A 61 -8.549 -5.414 -6.888 1.00 11.13 C ATOM 865 O ASP A 61 -8.001 -4.314 -6.829 1.00 53.25 O ATOM 866 CB ASP A 61 -10.812 -6.258 -6.144 1.00 52.43 C ATOM 867 CG ASP A 61 -11.585 -7.032 -5.079 1.00 63.33 C ATOM 868 OD1 ASP A 61 -11.079 -8.051 -4.540 1.00 24.41 O ATOM 869 OD2 ASP A 61 -12.728 -6.641 -4.782 1.00 1.44 O ATOM 0 H ASP A 61 -9.722 -3.892 -5.165 1.00 4.02 H new ATOM 0 HA ASP A 61 -8.935 -6.755 -5.245 1.00 74.35 H new ATOM 0 HB2 ASP A 61 -11.363 -5.353 -6.400 1.00 52.43 H new ATOM 0 HB3 ASP A 61 -10.750 -6.860 -7.050 1.00 52.43 H new ATOM 873 N GLU A 62 -8.407 -6.166 -7.982 1.00 4.10 N ATOM 874 CA GLU A 62 -7.590 -5.725 -9.128 1.00 32.14 C ATOM 875 C GLU A 62 -8.472 -5.623 -10.386 1.00 52.15 C ATOM 876 O GLU A 62 -8.580 -6.578 -11.160 1.00 64.10 O ATOM 877 CB GLU A 62 -6.320 -6.593 -9.223 1.00 52.41 C ATOM 878 CG GLU A 62 -5.080 -5.805 -9.700 1.00 1.22 C ATOM 879 CD GLU A 62 -3.752 -6.428 -9.228 1.00 21.33 C ATOM 880 OE1 GLU A 62 -3.749 -7.591 -8.755 1.00 72.31 O ATOM 881 OE2 GLU A 62 -2.693 -5.747 -9.228 1.00 31.41 O ATOM 0 H GLU A 62 -8.843 -7.080 -8.104 1.00 4.10 H new ATOM 0 HA GLU A 62 -7.205 -4.713 -8.999 1.00 32.14 H new ATOM 0 HB2 GLU A 62 -6.112 -7.029 -8.246 1.00 52.41 H new ATOM 0 HB3 GLU A 62 -6.503 -7.420 -9.909 1.00 52.41 H new ATOM 0 HG2 GLU A 62 -5.085 -5.755 -10.789 1.00 1.22 H new ATOM 0 HG3 GLU A 62 -5.145 -4.780 -9.334 1.00 1.22 H new ATOM 886 N PRO A 63 -9.225 -4.514 -10.537 1.00 55.41 N ATOM 887 CA PRO A 63 -10.199 -4.333 -11.605 1.00 33.54 C ATOM 888 C PRO A 63 -9.507 -3.872 -12.895 1.00 60.24 C ATOM 889 O PRO A 63 -9.268 -2.671 -13.082 1.00 53.14 O ATOM 890 CB PRO A 63 -11.184 -3.303 -11.049 1.00 54.23 C ATOM 891 CG PRO A 63 -10.310 -2.409 -10.170 1.00 2.32 C ATOM 892 CD PRO A 63 -9.320 -3.407 -9.587 1.00 20.10 C ATOM 0 HA PRO A 63 -10.714 -5.253 -11.882 1.00 33.54 H new ATOM 0 HB2 PRO A 63 -11.664 -2.736 -11.847 1.00 54.23 H new ATOM 0 HB3 PRO A 63 -11.979 -3.778 -10.473 1.00 54.23 H new ATOM 0 HG2 PRO A 63 -9.812 -1.631 -10.748 1.00 2.32 H new ATOM 0 HG3 PRO A 63 -10.889 -1.908 -9.394 1.00 2.32 H new ATOM 0 HD2 PRO A 63 -8.346 -2.942 -9.437 1.00 20.10 H new ATOM 0 HD3 PRO A 63 -9.657 -3.762 -8.613 1.00 20.10 H new ATOM 897 N GLY A 64 -9.216 -4.815 -13.793 1.00 31.23 N ATOM 898 CA GLY A 64 -8.426 -4.589 -14.996 1.00 31.12 C ATOM 899 C GLY A 64 -6.939 -4.489 -14.654 1.00 53.14 C ATOM 900 O GLY A 64 -6.528 -4.818 -13.539 1.00 32.54 O ATOM 0 H GLY A 64 -9.533 -5.780 -13.698 1.00 31.23 H new ATOM 0 HA2 GLY A 64 -8.588 -5.403 -15.702 1.00 31.12 H new ATOM 0 HA3 GLY A 64 -8.754 -3.672 -15.486 1.00 31.12 H new ATOM 904 N ASP A 65 -6.116 -4.106 -15.627 1.00 72.13 N ATOM 905 CA ASP A 65 -4.658 -4.109 -15.490 1.00 24.32 C ATOM 906 C ASP A 65 -4.210 -2.991 -14.547 1.00 42.43 C ATOM 907 O ASP A 65 -3.323 -3.191 -13.709 1.00 75.31 O ATOM 908 CB ASP A 65 -3.957 -3.899 -16.849 1.00 72.44 C ATOM 909 CG ASP A 65 -3.954 -5.100 -17.792 1.00 34.54 C ATOM 910 OD1 ASP A 65 -4.420 -6.204 -17.407 1.00 33.55 O ATOM 911 OD2 ASP A 65 -3.494 -4.914 -18.947 1.00 43.03 O ATOM 0 H ASP A 65 -6.441 -3.783 -16.538 1.00 72.13 H new ATOM 0 HA ASP A 65 -4.379 -5.083 -15.089 1.00 24.32 H new ATOM 0 HB2 ASP A 65 -4.437 -3.063 -17.358 1.00 72.44 H new ATOM 0 HB3 ASP A 65 -2.924 -3.607 -16.661 1.00 72.44 H new ATOM 915 N GLU A 66 -4.756 -1.786 -14.745 1.00 3.12 N ATOM 916 CA GLU A 66 -4.120 -0.527 -14.373 1.00 24.11 C ATOM 917 C GLU A 66 -5.188 0.512 -14.011 1.00 3.10 C ATOM 918 O GLU A 66 -5.674 1.233 -14.888 1.00 60.35 O ATOM 919 CB GLU A 66 -3.308 -0.008 -15.574 1.00 31.13 C ATOM 920 CG GLU A 66 -1.996 -0.748 -15.872 1.00 51.42 C ATOM 921 CD GLU A 66 -1.666 -0.735 -17.367 1.00 4.13 C ATOM 922 OE1 GLU A 66 -1.946 0.288 -18.043 1.00 31.34 O ATOM 923 OE2 GLU A 66 -1.149 -1.747 -17.884 1.00 11.05 O ATOM 0 H GLU A 66 -5.671 -1.661 -15.178 1.00 3.12 H new ATOM 0 HA GLU A 66 -3.469 -0.690 -13.514 1.00 24.11 H new ATOM 0 HB2 GLU A 66 -3.939 -0.057 -16.462 1.00 31.13 H new ATOM 0 HB3 GLU A 66 -3.078 1.044 -15.404 1.00 31.13 H new ATOM 0 HG2 GLU A 66 -1.182 -0.284 -15.315 1.00 51.42 H new ATOM 0 HG3 GLU A 66 -2.072 -1.778 -15.525 1.00 51.42 H new ATOM 928 N ASP A 67 -5.553 0.617 -12.733 1.00 31.52 N ATOM 929 CA ASP A 67 -6.523 1.608 -12.254 1.00 20.41 C ATOM 930 C ASP A 67 -5.929 2.478 -11.144 1.00 23.40 C ATOM 931 O ASP A 67 -6.092 3.696 -11.174 1.00 11.22 O ATOM 932 CB ASP A 67 -7.842 0.938 -11.843 1.00 3.03 C ATOM 933 CG ASP A 67 -8.142 1.068 -10.348 1.00 71.33 C ATOM 934 OD1 ASP A 67 -8.684 2.125 -9.945 1.00 1.20 O ATOM 935 OD2 ASP A 67 -7.810 0.128 -9.585 1.00 61.43 O ATOM 0 H ASP A 67 -5.184 0.016 -11.996 1.00 31.52 H new ATOM 0 HA ASP A 67 -6.759 2.280 -13.079 1.00 20.41 H new ATOM 0 HB2 ASP A 67 -8.660 1.381 -12.411 1.00 3.03 H new ATOM 0 HB3 ASP A 67 -7.804 -0.118 -12.109 1.00 3.03 H new ATOM 939 N VAL A 68 -5.152 1.902 -10.221 1.00 54.41 N ATOM 940 CA VAL A 68 -4.448 2.652 -9.184 1.00 51.13 C ATOM 941 C VAL A 68 -3.419 3.591 -9.823 1.00 14.24 C ATOM 942 O VAL A 68 -3.170 4.683 -9.304 1.00 64.45 O ATOM 943 CB VAL A 68 -3.855 1.661 -8.162 1.00 0.11 C ATOM 944 CG1 VAL A 68 -2.841 2.286 -7.194 1.00 15.21 C ATOM 945 CG2 VAL A 68 -4.984 1.050 -7.324 1.00 53.35 C ATOM 0 H VAL A 68 -4.995 0.895 -10.175 1.00 54.41 H new ATOM 0 HA VAL A 68 -5.131 3.298 -8.632 1.00 51.13 H new ATOM 0 HB VAL A 68 -3.326 0.913 -8.753 1.00 0.11 H new ATOM 0 HG11 VAL A 68 -2.473 1.522 -6.509 1.00 15.21 H new ATOM 0 HG12 VAL A 68 -2.006 2.700 -7.759 1.00 15.21 H new ATOM 0 HG13 VAL A 68 -3.323 3.081 -6.625 1.00 15.21 H new ATOM 0 HG21 VAL A 68 -4.563 0.350 -6.602 1.00 53.35 H new ATOM 0 HG22 VAL A 68 -5.514 1.842 -6.795 1.00 53.35 H new ATOM 0 HG23 VAL A 68 -5.679 0.523 -7.978 1.00 53.35 H new ATOM 955 N PHE A 69 -2.886 3.232 -10.994 1.00 74.51 N ATOM 956 CA PHE A 69 -2.171 4.155 -11.862 1.00 40.41 C ATOM 957 C PHE A 69 -3.039 5.394 -12.107 1.00 32.11 C ATOM 958 O PHE A 69 -2.696 6.503 -11.703 1.00 33.50 O ATOM 959 CB PHE A 69 -1.814 3.438 -13.175 1.00 32.12 C ATOM 960 CG PHE A 69 -1.367 4.382 -14.276 1.00 3.00 C ATOM 961 CD1 PHE A 69 -0.154 5.082 -14.148 1.00 12.11 C ATOM 962 CD2 PHE A 69 -2.172 4.590 -15.414 1.00 72.44 C ATOM 963 CE1 PHE A 69 0.273 5.958 -15.156 1.00 21.44 C ATOM 964 CE2 PHE A 69 -1.739 5.453 -16.434 1.00 74.23 C ATOM 965 CZ PHE A 69 -0.514 6.129 -16.306 1.00 14.44 C ATOM 0 H PHE A 69 -2.942 2.283 -11.364 1.00 74.51 H new ATOM 0 HA PHE A 69 -1.243 4.483 -11.394 1.00 40.41 H new ATOM 0 HB2 PHE A 69 -1.021 2.716 -12.982 1.00 32.12 H new ATOM 0 HB3 PHE A 69 -2.681 2.874 -13.520 1.00 32.12 H new ATOM 0 HD1 PHE A 69 0.454 4.944 -13.266 1.00 12.11 H new ATOM 0 HD2 PHE A 69 -3.123 4.085 -15.502 1.00 72.44 H new ATOM 0 HE1 PHE A 69 1.202 6.498 -15.048 1.00 21.44 H new ATOM 0 HE2 PHE A 69 -2.347 5.597 -17.315 1.00 74.23 H new ATOM 0 HZ PHE A 69 -0.176 6.783 -17.096 1.00 14.44 H new ATOM 974 N ARG A 70 -4.195 5.198 -12.737 1.00 73.24 N ATOM 975 CA ARG A 70 -5.094 6.249 -13.193 1.00 23.11 C ATOM 976 C ARG A 70 -5.678 7.084 -12.042 1.00 72.15 C ATOM 977 O ARG A 70 -6.015 8.250 -12.248 1.00 40.32 O ATOM 978 CB ARG A 70 -6.175 5.581 -14.062 1.00 24.53 C ATOM 979 CG ARG A 70 -6.916 6.608 -14.923 1.00 0.01 C ATOM 980 CD ARG A 70 -7.429 6.011 -16.230 1.00 53.21 C ATOM 981 NE ARG A 70 -8.536 5.053 -16.063 1.00 21.43 N ATOM 982 CZ ARG A 70 -8.990 4.280 -17.062 1.00 13.12 C ATOM 983 NH1 ARG A 70 -8.325 4.179 -18.208 1.00 3.21 N ATOM 984 NH2 ARG A 70 -10.131 3.624 -16.929 1.00 75.12 N ATOM 0 H ARG A 70 -4.543 4.263 -12.951 1.00 73.24 H new ATOM 0 HA ARG A 70 -4.541 6.978 -13.785 1.00 23.11 H new ATOM 0 HB2 ARG A 70 -5.715 4.830 -14.704 1.00 24.53 H new ATOM 0 HB3 ARG A 70 -6.887 5.060 -13.422 1.00 24.53 H new ATOM 0 HG2 ARG A 70 -7.755 7.013 -14.358 1.00 0.01 H new ATOM 0 HG3 ARG A 70 -6.249 7.441 -15.145 1.00 0.01 H new ATOM 0 HD2 ARG A 70 -7.759 6.820 -16.881 1.00 53.21 H new ATOM 0 HD3 ARG A 70 -6.604 5.511 -16.737 1.00 53.21 H new ATOM 0 HE ARG A 70 -8.977 4.974 -15.147 1.00 21.43 H new ATOM 0 HH11 ARG A 70 -7.454 4.694 -18.339 1.00 3.21 H new ATOM 0 HH12 ARG A 70 -8.685 3.587 -18.956 1.00 3.21 H new ATOM 0 HH21 ARG A 70 -10.668 3.705 -16.066 1.00 75.12 H new ATOM 0 HH22 ARG A 70 -10.474 3.037 -17.690 1.00 75.12 H new ATOM 995 N LYS A 71 -5.815 6.508 -10.844 1.00 75.45 N ATOM 996 CA LYS A 71 -6.218 7.173 -9.604 1.00 11.34 C ATOM 997 C LYS A 71 -5.202 8.249 -9.225 1.00 72.21 C ATOM 998 O LYS A 71 -5.585 9.378 -8.918 1.00 23.23 O ATOM 999 CB LYS A 71 -6.340 6.101 -8.500 1.00 22.32 C ATOM 1000 CG LYS A 71 -6.802 6.609 -7.122 1.00 54.12 C ATOM 1001 CD LYS A 71 -8.281 6.348 -6.802 1.00 11.40 C ATOM 1002 CE LYS A 71 -9.251 7.233 -7.590 1.00 32.13 C ATOM 1003 NZ LYS A 71 -10.635 7.058 -7.106 1.00 15.10 N ATOM 0 H LYS A 71 -5.638 5.513 -10.707 1.00 75.45 H new ATOM 0 HA LYS A 71 -7.180 7.669 -9.734 1.00 11.34 H new ATOM 0 HB2 LYS A 71 -7.040 5.336 -8.838 1.00 22.32 H new ATOM 0 HB3 LYS A 71 -5.371 5.616 -8.382 1.00 22.32 H new ATOM 0 HG2 LYS A 71 -6.190 6.138 -6.353 1.00 54.12 H new ATOM 0 HG3 LYS A 71 -6.616 7.682 -7.065 1.00 54.12 H new ATOM 0 HD2 LYS A 71 -8.508 5.302 -7.009 1.00 11.40 H new ATOM 0 HD3 LYS A 71 -8.445 6.505 -5.736 1.00 11.40 H new ATOM 0 HE2 LYS A 71 -8.957 8.278 -7.493 1.00 32.13 H new ATOM 0 HE3 LYS A 71 -9.198 6.984 -8.650 1.00 32.13 H new ATOM 0 HZ1 LYS A 71 -11.274 7.668 -7.655 1.00 15.10 H new ATOM 0 HZ2 LYS A 71 -10.920 6.065 -7.221 1.00 15.10 H new ATOM 0 HZ3 LYS A 71 -10.687 7.318 -6.100 1.00 15.10 H new ATOM 1013 N LEU A 72 -3.920 7.885 -9.204 1.00 13.13 N ATOM 1014 CA LEU A 72 -2.827 8.783 -8.845 1.00 33.40 C ATOM 1015 C LEU A 72 -2.559 9.757 -9.987 1.00 62.43 C ATOM 1016 O LEU A 72 -2.314 10.932 -9.728 1.00 43.03 O ATOM 1017 CB LEU A 72 -1.572 7.943 -8.539 1.00 1.21 C ATOM 1018 CG LEU A 72 -1.443 7.407 -7.102 1.00 40.13 C ATOM 1019 CD1 LEU A 72 -1.028 8.523 -6.154 1.00 33.10 C ATOM 1020 CD2 LEU A 72 -2.676 6.691 -6.540 1.00 62.43 C ATOM 0 H LEU A 72 -3.609 6.943 -9.440 1.00 13.13 H new ATOM 0 HA LEU A 72 -3.095 9.362 -7.961 1.00 33.40 H new ATOM 0 HB2 LEU A 72 -1.553 7.095 -9.223 1.00 1.21 H new ATOM 0 HB3 LEU A 72 -0.693 8.549 -8.758 1.00 1.21 H new ATOM 0 HG LEU A 72 -0.673 6.639 -7.172 1.00 40.13 H new ATOM 0 HD11 LEU A 72 -0.941 8.127 -5.142 1.00 33.10 H new ATOM 0 HD12 LEU A 72 -0.067 8.929 -6.469 1.00 33.10 H new ATOM 0 HD13 LEU A 72 -1.779 9.313 -6.171 1.00 33.10 H new ATOM 0 HD21 LEU A 72 -2.471 6.357 -5.523 1.00 62.43 H new ATOM 0 HD22 LEU A 72 -3.523 7.377 -6.532 1.00 62.43 H new ATOM 0 HD23 LEU A 72 -2.912 5.829 -7.164 1.00 62.43 H new ATOM 1031 N ALA A 73 -2.638 9.295 -11.237 1.00 34.44 N ATOM 1032 CA ALA A 73 -2.426 10.125 -12.411 1.00 33.14 C ATOM 1033 C ALA A 73 -3.382 11.314 -12.420 1.00 73.25 C ATOM 1034 O ALA A 73 -2.961 12.415 -12.736 1.00 1.03 O ATOM 1035 CB ALA A 73 -2.599 9.299 -13.683 1.00 64.31 C ATOM 0 H ALA A 73 -2.854 8.323 -11.458 1.00 34.44 H new ATOM 0 HA ALA A 73 -1.406 10.508 -12.375 1.00 33.14 H new ATOM 0 HB1 ALA A 73 -2.437 9.934 -14.554 1.00 64.31 H new ATOM 0 HB2 ALA A 73 -1.875 8.484 -13.689 1.00 64.31 H new ATOM 0 HB3 ALA A 73 -3.608 8.888 -13.716 1.00 64.31 H new ATOM 1041 N ALA A 74 -4.638 11.118 -12.004 1.00 33.22 N ATOM 1042 CA ALA A 74 -5.646 12.172 -11.904 1.00 12.24 C ATOM 1043 C ALA A 74 -5.371 13.199 -10.801 1.00 4.32 C ATOM 1044 O ALA A 74 -6.277 13.953 -10.437 1.00 40.32 O ATOM 1045 CB ALA A 74 -7.000 11.512 -11.629 1.00 4.11 C ATOM 0 H ALA A 74 -4.987 10.202 -11.722 1.00 33.22 H new ATOM 0 HA ALA A 74 -5.629 12.718 -12.847 1.00 12.24 H new ATOM 0 HB1 ALA A 74 -7.770 12.280 -11.550 1.00 4.11 H new ATOM 0 HB2 ALA A 74 -7.247 10.834 -12.446 1.00 4.11 H new ATOM 0 HB3 ALA A 74 -6.949 10.952 -10.695 1.00 4.11 H new ATOM 1051 N ASP A 75 -4.190 13.203 -10.195 1.00 14.40 N ATOM 1052 CA ASP A 75 -3.804 14.063 -9.085 1.00 15.40 C ATOM 1053 C ASP A 75 -2.421 14.614 -9.377 1.00 55.34 C ATOM 1054 O ASP A 75 -2.248 15.830 -9.494 1.00 60.35 O ATOM 1055 CB ASP A 75 -3.833 13.266 -7.773 1.00 21.12 C ATOM 1056 CG ASP A 75 -4.958 13.710 -6.849 1.00 22.12 C ATOM 1057 OD1 ASP A 75 -5.113 14.918 -6.556 1.00 61.43 O ATOM 1058 OD2 ASP A 75 -5.698 12.802 -6.407 1.00 14.32 O ATOM 0 H ASP A 75 -3.438 12.575 -10.479 1.00 14.40 H new ATOM 0 HA ASP A 75 -4.502 14.893 -8.974 1.00 15.40 H new ATOM 0 HB2 ASP A 75 -3.948 12.206 -7.998 1.00 21.12 H new ATOM 0 HB3 ASP A 75 -2.878 13.381 -7.260 1.00 21.12 H new ATOM 1062 N LEU A 76 -1.445 13.724 -9.583 1.00 11.02 N ATOM 1063 CA LEU A 76 -0.116 14.095 -10.035 1.00 31.22 C ATOM 1064 C LEU A 76 -0.078 14.419 -11.531 1.00 60.11 C ATOM 1065 O LEU A 76 0.989 14.364 -12.133 1.00 21.31 O ATOM 1066 CB LEU A 76 0.909 12.997 -9.730 1.00 60.44 C ATOM 1067 CG LEU A 76 1.109 12.597 -8.266 1.00 3.00 C ATOM 1068 CD1 LEU A 76 0.892 13.723 -7.248 1.00 63.43 C ATOM 1069 CD2 LEU A 76 0.283 11.374 -7.922 1.00 4.31 C ATOM 0 H LEU A 76 -1.564 12.721 -9.438 1.00 11.02 H new ATOM 0 HA LEU A 76 0.147 14.996 -9.482 1.00 31.22 H new ATOM 0 HB2 LEU A 76 0.620 12.105 -10.285 1.00 60.44 H new ATOM 0 HB3 LEU A 76 1.873 13.319 -10.124 1.00 60.44 H new ATOM 0 HG LEU A 76 2.168 12.353 -8.181 1.00 3.00 H new ATOM 0 HD11 LEU A 76 1.057 13.340 -6.241 1.00 63.43 H new ATOM 0 HD12 LEU A 76 1.593 14.534 -7.447 1.00 63.43 H new ATOM 0 HD13 LEU A 76 -0.128 14.097 -7.331 1.00 63.43 H new ATOM 0 HD21 LEU A 76 0.442 11.110 -6.877 1.00 4.31 H new ATOM 0 HD22 LEU A 76 -0.773 11.590 -8.085 1.00 4.31 H new ATOM 0 HD23 LEU A 76 0.585 10.541 -8.557 1.00 4.31 H new ATOM 1080 N GLU A 77 -1.216 14.742 -12.137 1.00 64.32 N ATOM 1081 CA GLU A 77 -1.339 15.153 -13.520 1.00 41.21 C ATOM 1082 C GLU A 77 -0.389 16.345 -13.716 1.00 3.22 C ATOM 1083 O GLU A 77 -0.609 17.411 -13.125 1.00 35.14 O ATOM 1084 CB GLU A 77 -2.822 15.486 -13.791 1.00 71.12 C ATOM 1085 CG GLU A 77 -3.208 15.358 -15.267 1.00 33.33 C ATOM 1086 CD GLU A 77 -3.580 13.917 -15.625 1.00 24.30 C ATOM 1087 OE1 GLU A 77 -4.747 13.511 -15.429 1.00 15.30 O ATOM 1088 OE2 GLU A 77 -2.741 13.177 -16.190 1.00 32.12 O ATOM 0 H GLU A 77 -2.113 14.722 -11.652 1.00 64.32 H new ATOM 0 HA GLU A 77 -1.057 14.379 -14.234 1.00 41.21 H new ATOM 0 HB2 GLU A 77 -3.451 14.822 -13.199 1.00 71.12 H new ATOM 0 HB3 GLU A 77 -3.027 16.503 -13.455 1.00 71.12 H new ATOM 0 HG2 GLU A 77 -4.049 16.017 -15.483 1.00 33.33 H new ATOM 0 HG3 GLU A 77 -2.377 15.687 -15.892 1.00 33.33 H new ATOM 1093 N GLY A 78 0.727 16.143 -14.424 1.00 55.11 N ATOM 1094 CA GLY A 78 1.778 17.142 -14.586 1.00 64.42 C ATOM 1095 C GLY A 78 2.534 17.476 -13.296 1.00 73.45 C ATOM 1096 O GLY A 78 2.870 18.641 -13.080 1.00 13.30 O ATOM 0 H GLY A 78 0.925 15.266 -14.906 1.00 55.11 H new ATOM 0 HA2 GLY A 78 2.491 16.785 -15.329 1.00 64.42 H new ATOM 0 HA3 GLY A 78 1.336 18.057 -14.982 1.00 64.42 H new ATOM 1100 N LYS A 79 2.721 16.508 -12.399 1.00 11.01 N ATOM 1101 CA LYS A 79 3.637 16.498 -11.267 1.00 31.52 C ATOM 1102 C LYS A 79 4.532 15.271 -11.272 1.00 44.15 C ATOM 1103 O LYS A 79 5.701 15.379 -10.889 1.00 2.12 O ATOM 1104 CB LYS A 79 2.833 16.437 -9.992 1.00 3.31 C ATOM 1105 CG LYS A 79 2.047 17.731 -9.833 1.00 33.24 C ATOM 1106 CD LYS A 79 2.374 18.233 -8.451 1.00 75.41 C ATOM 1107 CE LYS A 79 1.672 19.555 -8.243 1.00 5.00 C ATOM 1108 NZ LYS A 79 2.401 20.650 -8.914 1.00 61.13 N ATOM 0 H LYS A 79 2.189 15.639 -12.454 1.00 11.01 H new ATOM 0 HA LYS A 79 4.249 17.397 -11.336 1.00 31.52 H new ATOM 0 HB2 LYS A 79 2.153 15.585 -10.017 1.00 3.31 H new ATOM 0 HB3 LYS A 79 3.494 16.292 -9.138 1.00 3.31 H new ATOM 0 HG2 LYS A 79 2.332 18.459 -10.593 1.00 33.24 H new ATOM 0 HG3 LYS A 79 0.977 17.556 -9.944 1.00 33.24 H new ATOM 0 HD2 LYS A 79 2.053 17.511 -7.700 1.00 75.41 H new ATOM 0 HD3 LYS A 79 3.451 18.354 -8.337 1.00 75.41 H new ATOM 0 HE2 LYS A 79 0.656 19.497 -8.633 1.00 5.00 H new ATOM 0 HE3 LYS A 79 1.593 19.765 -7.176 1.00 5.00 H new ATOM 0 HZ1 LYS A 79 1.990 21.563 -8.634 1.00 61.13 H new ATOM 0 HZ2 LYS A 79 3.403 20.621 -8.637 1.00 61.13 H new ATOM 0 HZ3 LYS A 79 2.324 20.538 -9.945 1.00 61.13 H new ATOM 1118 N ALA A 80 3.951 14.099 -11.529 1.00 64.32 N ATOM 1119 CA ALA A 80 4.620 12.823 -11.383 1.00 42.45 C ATOM 1120 C ALA A 80 4.065 11.963 -12.508 1.00 52.25 C ATOM 1121 O ALA A 80 2.887 11.617 -12.480 1.00 2.02 O ATOM 1122 CB ALA A 80 4.351 12.269 -9.976 1.00 34.41 C ATOM 0 H ALA A 80 2.986 14.017 -11.849 1.00 64.32 H new ATOM 0 HA ALA A 80 5.706 12.872 -11.465 1.00 42.45 H new ATOM 0 HB1 ALA A 80 4.853 11.308 -9.861 1.00 34.41 H new ATOM 0 HB2 ALA A 80 4.731 12.968 -9.231 1.00 34.41 H new ATOM 0 HB3 ALA A 80 3.278 12.137 -9.836 1.00 34.41 H new ATOM 1128 N ASP A 81 4.867 11.714 -13.536 1.00 60.23 N ATOM 1129 CA ASP A 81 4.430 11.073 -14.770 1.00 73.41 C ATOM 1130 C ASP A 81 4.299 9.566 -14.560 1.00 53.35 C ATOM 1131 O ASP A 81 4.582 9.039 -13.479 1.00 54.02 O ATOM 1132 CB ASP A 81 5.429 11.349 -15.902 1.00 72.21 C ATOM 1133 CG ASP A 81 5.481 12.817 -16.305 1.00 44.44 C ATOM 1134 OD1 ASP A 81 4.450 13.350 -16.784 1.00 13.00 O ATOM 1135 OD2 ASP A 81 6.546 13.448 -16.122 1.00 52.14 O ATOM 0 H ASP A 81 5.858 11.956 -13.535 1.00 60.23 H new ATOM 0 HA ASP A 81 3.460 11.485 -15.047 1.00 73.41 H new ATOM 0 HB2 ASP A 81 6.423 11.029 -15.588 1.00 72.21 H new ATOM 0 HB3 ASP A 81 5.160 10.749 -16.771 1.00 72.21 H new ATOM 1139 N GLU A 82 3.935 8.840 -15.621 1.00 4.40 N ATOM 1140 CA GLU A 82 3.950 7.382 -15.617 1.00 4.22 C ATOM 1141 C GLU A 82 5.307 6.833 -15.173 1.00 44.23 C ATOM 1142 O GLU A 82 5.351 5.849 -14.434 1.00 74.32 O ATOM 1143 CB GLU A 82 3.541 6.859 -17.001 1.00 12.42 C ATOM 1144 CG GLU A 82 3.304 5.345 -16.962 1.00 63.33 C ATOM 1145 CD GLU A 82 4.357 4.486 -17.675 1.00 11.02 C ATOM 1146 OE1 GLU A 82 5.570 4.801 -17.701 1.00 44.34 O ATOM 1147 OE2 GLU A 82 3.940 3.449 -18.249 1.00 20.51 O ATOM 0 H GLU A 82 3.623 9.249 -16.502 1.00 4.40 H new ATOM 0 HA GLU A 82 3.224 7.025 -14.887 1.00 4.22 H new ATOM 0 HB2 GLU A 82 2.634 7.365 -17.333 1.00 12.42 H new ATOM 0 HB3 GLU A 82 4.320 7.091 -17.727 1.00 12.42 H new ATOM 0 HG2 GLU A 82 3.252 5.031 -15.919 1.00 63.33 H new ATOM 0 HG3 GLU A 82 2.331 5.137 -17.407 1.00 63.33 H new ATOM 1152 N GLU A 83 6.362 7.571 -15.528 1.00 52.04 N ATOM 1153 CA GLU A 83 7.764 7.395 -15.184 1.00 3.22 C ATOM 1154 C GLU A 83 8.026 7.271 -13.677 1.00 3.21 C ATOM 1155 O GLU A 83 9.135 6.913 -13.273 1.00 44.04 O ATOM 1156 CB GLU A 83 8.510 8.596 -15.775 1.00 51.13 C ATOM 1157 CG GLU A 83 9.997 8.332 -16.001 1.00 52.13 C ATOM 1158 CD GLU A 83 10.635 9.510 -16.719 1.00 4.24 C ATOM 1159 OE1 GLU A 83 10.376 9.692 -17.935 1.00 13.00 O ATOM 1160 OE2 GLU A 83 11.294 10.331 -16.046 1.00 42.43 O ATOM 0 H GLU A 83 6.235 8.389 -16.124 1.00 52.04 H new ATOM 0 HA GLU A 83 8.116 6.450 -15.597 1.00 3.22 H new ATOM 0 HB2 GLU A 83 8.049 8.871 -16.724 1.00 51.13 H new ATOM 0 HB3 GLU A 83 8.397 9.450 -15.107 1.00 51.13 H new ATOM 0 HG2 GLU A 83 10.494 8.167 -15.045 1.00 52.13 H new ATOM 0 HG3 GLU A 83 10.127 7.424 -16.589 1.00 52.13 H new ATOM 1165 N THR A 84 7.040 7.568 -12.830 1.00 22.21 N ATOM 1166 CA THR A 84 7.132 7.355 -11.399 1.00 14.11 C ATOM 1167 C THR A 84 5.887 6.682 -10.848 1.00 41.04 C ATOM 1168 O THR A 84 6.003 5.733 -10.083 1.00 54.25 O ATOM 1169 CB THR A 84 7.500 8.679 -10.736 1.00 0.44 C ATOM 1170 OG1 THR A 84 7.769 8.523 -9.360 1.00 41.04 O ATOM 1171 CG2 THR A 84 6.525 9.829 -10.943 1.00 52.45 C ATOM 0 H THR A 84 6.150 7.967 -13.128 1.00 22.21 H new ATOM 0 HA THR A 84 7.927 6.647 -11.164 1.00 14.11 H new ATOM 0 HB THR A 84 8.406 8.971 -11.267 1.00 0.44 H new ATOM 0 HG1 THR A 84 8.002 9.392 -8.972 1.00 41.04 H new ATOM 0 HG21 THR A 84 6.893 10.715 -10.426 1.00 52.45 H new ATOM 0 HG22 THR A 84 6.434 10.042 -12.008 1.00 52.45 H new ATOM 0 HG23 THR A 84 5.549 9.555 -10.543 1.00 52.45 H new ATOM 1179 N ILE A 85 4.698 7.079 -11.288 1.00 0.14 N ATOM 1180 CA ILE A 85 3.441 6.480 -10.811 1.00 21.41 C ATOM 1181 C ILE A 85 3.471 4.953 -10.967 1.00 62.41 C ATOM 1182 O ILE A 85 3.292 4.222 -9.987 1.00 42.42 O ATOM 1183 CB ILE A 85 2.215 7.031 -11.561 1.00 1.31 C ATOM 1184 CG1 ILE A 85 2.030 8.563 -11.476 1.00 24.13 C ATOM 1185 CG2 ILE A 85 0.926 6.395 -10.988 1.00 73.33 C ATOM 1186 CD1 ILE A 85 1.122 9.088 -12.598 1.00 62.43 C ATOM 0 H ILE A 85 4.570 7.818 -11.979 1.00 0.14 H new ATOM 0 HA ILE A 85 3.352 6.745 -9.757 1.00 21.41 H new ATOM 0 HB ILE A 85 2.394 6.777 -12.606 1.00 1.31 H new ATOM 0 HG12 ILE A 85 1.602 8.825 -10.509 1.00 24.13 H new ATOM 0 HG13 ILE A 85 3.003 9.051 -11.536 1.00 24.13 H new ATOM 0 HG21 ILE A 85 0.059 6.787 -11.521 1.00 73.33 H new ATOM 0 HG22 ILE A 85 0.969 5.313 -11.111 1.00 73.33 H new ATOM 0 HG23 ILE A 85 0.841 6.637 -9.929 1.00 73.33 H new ATOM 0 HD11 ILE A 85 1.016 10.169 -12.505 1.00 62.43 H new ATOM 0 HD12 ILE A 85 1.564 8.849 -13.565 1.00 62.43 H new ATOM 0 HD13 ILE A 85 0.141 8.619 -12.521 1.00 62.43 H new ATOM 1197 N ARG A 86 3.655 4.457 -12.200 1.00 75.54 N ATOM 1198 CA ARG A 86 3.645 3.015 -12.456 1.00 24.50 C ATOM 1199 C ARG A 86 4.760 2.359 -11.657 1.00 22.53 C ATOM 1200 O ARG A 86 4.539 1.291 -11.085 1.00 54.23 O ATOM 1201 CB ARG A 86 3.781 2.734 -13.968 1.00 11.24 C ATOM 1202 CG ARG A 86 2.406 2.617 -14.648 1.00 0.00 C ATOM 1203 CD ARG A 86 1.910 1.174 -14.724 1.00 33.23 C ATOM 1204 NE ARG A 86 2.500 0.464 -15.872 1.00 11.02 N ATOM 1205 CZ ARG A 86 2.120 -0.739 -16.307 1.00 71.31 C ATOM 1206 NH1 ARG A 86 1.305 -1.506 -15.596 1.00 11.05 N ATOM 1207 NH2 ARG A 86 2.600 -1.191 -17.449 1.00 71.53 N ATOM 0 H ARG A 86 3.811 5.032 -13.028 1.00 75.54 H new ATOM 0 HA ARG A 86 2.694 2.589 -12.136 1.00 24.50 H new ATOM 0 HB2 ARG A 86 4.353 3.534 -14.437 1.00 11.24 H new ATOM 0 HB3 ARG A 86 4.342 1.811 -14.118 1.00 11.24 H new ATOM 0 HG2 ARG A 86 1.681 3.218 -14.099 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.466 3.030 -15.655 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.163 0.651 -13.802 1.00 33.23 H new ATOM 0 HD3 ARG A 86 0.823 1.165 -14.808 1.00 33.23 H new ATOM 0 HE ARG A 86 3.258 0.928 -16.373 1.00 11.02 H new ATOM 0 HH11 ARG A 86 0.954 -1.180 -14.695 1.00 11.05 H new ATOM 0 HH12 ARG A 86 1.029 -2.422 -15.950 1.00 11.05 H new ATOM 0 HH21 ARG A 86 3.253 -0.623 -17.988 1.00 71.53 H new ATOM 0 HH22 ARG A 86 2.318 -2.109 -17.793 1.00 71.53 H new ATOM 1218 N ALA A 87 5.896 3.048 -11.534 1.00 75.42 N ATOM 1219 CA ALA A 87 7.054 2.530 -10.808 1.00 4.03 C ATOM 1220 C ALA A 87 6.710 2.328 -9.328 1.00 22.23 C ATOM 1221 O ALA A 87 6.887 1.241 -8.785 1.00 60.35 O ATOM 1222 CB ALA A 87 8.277 3.434 -11.006 1.00 21.20 C ATOM 0 H ALA A 87 6.038 3.976 -11.933 1.00 75.42 H new ATOM 0 HA ALA A 87 7.317 1.554 -11.216 1.00 4.03 H new ATOM 0 HB1 ALA A 87 9.124 3.026 -10.455 1.00 21.20 H new ATOM 0 HB2 ALA A 87 8.524 3.485 -12.066 1.00 21.20 H new ATOM 0 HB3 ALA A 87 8.053 4.435 -10.637 1.00 21.20 H new ATOM 1228 N LYS A 88 6.142 3.341 -8.674 1.00 74.24 N ATOM 1229 CA LYS A 88 5.691 3.290 -7.282 1.00 21.54 C ATOM 1230 C LYS A 88 4.657 2.194 -7.095 1.00 40.14 C ATOM 1231 O LYS A 88 4.721 1.456 -6.114 1.00 11.34 O ATOM 1232 CB LYS A 88 5.135 4.661 -6.852 1.00 14.03 C ATOM 1233 CG LYS A 88 6.180 5.790 -6.821 1.00 63.24 C ATOM 1234 CD LYS A 88 6.948 5.953 -5.503 1.00 63.14 C ATOM 1235 CE LYS A 88 7.926 4.799 -5.268 1.00 4.12 C ATOM 1236 NZ LYS A 88 8.848 5.071 -4.152 1.00 53.52 N ATOM 0 H LYS A 88 5.978 4.248 -9.111 1.00 74.24 H new ATOM 0 HA LYS A 88 6.543 3.054 -6.645 1.00 21.54 H new ATOM 0 HB2 LYS A 88 4.333 4.944 -7.533 1.00 14.03 H new ATOM 0 HB3 LYS A 88 4.692 4.565 -5.861 1.00 14.03 H new ATOM 0 HG2 LYS A 88 6.900 5.615 -7.620 1.00 63.24 H new ATOM 0 HG3 LYS A 88 5.677 6.731 -7.046 1.00 63.24 H new ATOM 0 HD2 LYS A 88 7.495 6.896 -5.515 1.00 63.14 H new ATOM 0 HD3 LYS A 88 6.241 6.005 -4.675 1.00 63.14 H new ATOM 0 HE2 LYS A 88 7.366 3.887 -5.061 1.00 4.12 H new ATOM 0 HE3 LYS A 88 8.501 4.621 -6.177 1.00 4.12 H new ATOM 0 HZ1 LYS A 88 9.446 4.237 -3.985 1.00 53.52 H new ATOM 0 HZ2 LYS A 88 9.449 5.886 -4.389 1.00 53.52 H new ATOM 0 HZ3 LYS A 88 8.301 5.282 -3.293 1.00 53.52 H new ATOM 1246 N MET A 89 3.701 2.053 -8.012 1.00 62.25 N ATOM 1247 CA MET A 89 2.703 0.990 -7.939 1.00 3.23 C ATOM 1248 C MET A 89 3.345 -0.412 -8.028 1.00 14.34 C ATOM 1249 O MET A 89 2.775 -1.360 -7.482 1.00 20.44 O ATOM 1250 CB MET A 89 1.598 1.271 -8.973 1.00 35.51 C ATOM 1251 CG MET A 89 0.534 0.168 -9.072 1.00 4.30 C ATOM 1252 SD MET A 89 -0.817 0.542 -10.225 1.00 52.01 S ATOM 1253 CE MET A 89 -1.781 -0.989 -10.092 1.00 52.21 C ATOM 0 H MET A 89 3.598 2.667 -8.820 1.00 62.25 H new ATOM 0 HA MET A 89 2.224 0.986 -6.960 1.00 3.23 H new ATOM 0 HB2 MET A 89 1.108 2.211 -8.719 1.00 35.51 H new ATOM 0 HB3 MET A 89 2.058 1.406 -9.952 1.00 35.51 H new ATOM 0 HG2 MET A 89 1.015 -0.759 -9.382 1.00 4.30 H new ATOM 0 HG3 MET A 89 0.114 -0.007 -8.081 1.00 4.30 H new ATOM 0 HE1 MET A 89 -2.663 -0.920 -10.728 1.00 52.21 H new ATOM 0 HE2 MET A 89 -1.169 -1.833 -10.411 1.00 52.21 H new ATOM 0 HE3 MET A 89 -2.090 -1.135 -9.057 1.00 52.21 H new ATOM 1261 N VAL A 90 4.541 -0.573 -8.607 1.00 42.21 N ATOM 1262 CA VAL A 90 5.335 -1.795 -8.470 1.00 41.43 C ATOM 1263 C VAL A 90 6.040 -1.799 -7.114 1.00 73.10 C ATOM 1264 O VAL A 90 5.822 -2.697 -6.302 1.00 24.22 O ATOM 1265 CB VAL A 90 6.340 -1.948 -9.633 1.00 55.40 C ATOM 1266 CG1 VAL A 90 7.215 -3.199 -9.460 1.00 12.12 C ATOM 1267 CG2 VAL A 90 5.603 -2.098 -10.963 1.00 3.24 C ATOM 0 H VAL A 90 4.984 0.142 -9.184 1.00 42.21 H new ATOM 0 HA VAL A 90 4.667 -2.655 -8.518 1.00 41.43 H new ATOM 0 HB VAL A 90 6.961 -1.052 -9.628 1.00 55.40 H new ATOM 0 HG11 VAL A 90 7.910 -3.275 -10.296 1.00 12.12 H new ATOM 0 HG12 VAL A 90 7.775 -3.125 -8.528 1.00 12.12 H new ATOM 0 HG13 VAL A 90 6.581 -4.085 -9.433 1.00 12.12 H new ATOM 0 HG21 VAL A 90 6.327 -2.205 -11.770 1.00 3.24 H new ATOM 0 HG22 VAL A 90 4.966 -2.982 -10.928 1.00 3.24 H new ATOM 0 HG23 VAL A 90 4.989 -1.215 -11.140 1.00 3.24 H new ATOM 1277 N GLU A 91 6.895 -0.811 -6.853 1.00 53.31 N ATOM 1278 CA GLU A 91 7.851 -0.818 -5.752 1.00 11.53 C ATOM 1279 C GLU A 91 7.158 -1.053 -4.410 1.00 23.13 C ATOM 1280 O GLU A 91 7.688 -1.741 -3.544 1.00 44.25 O ATOM 1281 CB GLU A 91 8.625 0.512 -5.766 1.00 15.30 C ATOM 1282 CG GLU A 91 9.790 0.560 -4.769 1.00 21.42 C ATOM 1283 CD GLU A 91 10.508 1.908 -4.829 1.00 62.11 C ATOM 1284 OE1 GLU A 91 11.275 2.143 -5.795 1.00 71.05 O ATOM 1285 OE2 GLU A 91 10.268 2.766 -3.949 1.00 74.33 O ATOM 0 H GLU A 91 6.941 0.037 -7.417 1.00 53.31 H new ATOM 0 HA GLU A 91 8.550 -1.644 -5.883 1.00 11.53 H new ATOM 0 HB2 GLU A 91 9.011 0.687 -6.770 1.00 15.30 H new ATOM 0 HB3 GLU A 91 7.935 1.326 -5.544 1.00 15.30 H new ATOM 0 HG2 GLU A 91 9.417 0.388 -3.760 1.00 21.42 H new ATOM 0 HG3 GLU A 91 10.495 -0.242 -4.989 1.00 21.42 H new ATOM 1290 N LEU A 92 5.937 -0.550 -4.229 1.00 35.11 N ATOM 1291 CA LEU A 92 5.245 -0.560 -2.955 1.00 12.11 C ATOM 1292 C LEU A 92 4.611 -1.898 -2.659 1.00 11.14 C ATOM 1293 O LEU A 92 4.328 -2.227 -1.518 1.00 4.13 O ATOM 1294 CB LEU A 92 4.191 0.548 -2.970 1.00 63.45 C ATOM 1295 CG LEU A 92 4.849 1.838 -2.425 1.00 52.15 C ATOM 1296 CD1 LEU A 92 3.985 3.065 -2.673 1.00 73.22 C ATOM 1297 CD2 LEU A 92 5.143 1.729 -0.933 1.00 51.45 C ATOM 0 H LEU A 92 5.398 -0.119 -4.980 1.00 35.11 H new ATOM 0 HA LEU A 92 5.970 -0.382 -2.161 1.00 12.11 H new ATOM 0 HB2 LEU A 92 3.820 0.708 -3.982 1.00 63.45 H new ATOM 0 HB3 LEU A 92 3.335 0.268 -2.357 1.00 63.45 H new ATOM 0 HG LEU A 92 5.787 1.953 -2.968 1.00 52.15 H new ATOM 0 HD11 LEU A 92 4.484 3.948 -2.275 1.00 73.22 H new ATOM 0 HD12 LEU A 92 3.828 3.189 -3.745 1.00 73.22 H new ATOM 0 HD13 LEU A 92 3.022 2.938 -2.178 1.00 73.22 H new ATOM 0 HD21 LEU A 92 5.605 2.653 -0.585 1.00 51.45 H new ATOM 0 HD22 LEU A 92 4.213 1.561 -0.390 1.00 51.45 H new ATOM 0 HD23 LEU A 92 5.822 0.895 -0.756 1.00 51.45 H new ATOM 1308 N ARG A 93 4.416 -2.685 -3.697 1.00 73.01 N ATOM 1309 CA ARG A 93 3.939 -4.050 -3.655 1.00 60.20 C ATOM 1310 C ARG A 93 5.106 -4.929 -3.183 1.00 13.32 C ATOM 1311 O ARG A 93 4.944 -5.764 -2.286 1.00 51.44 O ATOM 1312 CB ARG A 93 3.469 -4.379 -5.088 1.00 35.13 C ATOM 1313 CG ARG A 93 1.974 -4.731 -5.172 1.00 12.24 C ATOM 1314 CD ARG A 93 1.118 -3.527 -5.591 1.00 51.42 C ATOM 1315 NE ARG A 93 0.903 -3.475 -7.051 1.00 62.25 N ATOM 1316 CZ ARG A 93 -0.083 -4.085 -7.744 1.00 23.25 C ATOM 1317 NH1 ARG A 93 -1.005 -4.843 -7.168 1.00 12.24 N ATOM 1318 NH2 ARG A 93 -0.176 -3.960 -9.060 1.00 62.44 N ATOM 0 H ARG A 93 4.598 -2.368 -4.649 1.00 73.01 H new ATOM 0 HA ARG A 93 3.109 -4.217 -2.968 1.00 60.20 H new ATOM 0 HB2 ARG A 93 3.671 -3.525 -5.734 1.00 35.13 H new ATOM 0 HB3 ARG A 93 4.054 -5.215 -5.472 1.00 35.13 H new ATOM 0 HG2 ARG A 93 1.833 -5.542 -5.887 1.00 12.24 H new ATOM 0 HG3 ARG A 93 1.634 -5.097 -4.203 1.00 12.24 H new ATOM 0 HD2 ARG A 93 0.154 -3.576 -5.085 1.00 51.42 H new ATOM 0 HD3 ARG A 93 1.603 -2.607 -5.264 1.00 51.42 H new ATOM 0 HE ARG A 93 1.567 -2.921 -7.592 1.00 62.25 H new ATOM 0 HH11 ARG A 93 -0.989 -4.986 -6.158 1.00 12.24 H new ATOM 0 HH12 ARG A 93 -1.730 -5.283 -7.734 1.00 12.24 H new ATOM 0 HH21 ARG A 93 0.505 -3.395 -9.568 1.00 62.44 H new ATOM 0 HH22 ARG A 93 -0.928 -4.429 -9.565 1.00 62.44 H new ATOM 1329 N ALA A 94 6.307 -4.688 -3.730 1.00 74.13 N ATOM 1330 CA ALA A 94 7.543 -5.316 -3.281 1.00 73.42 C ATOM 1331 C ALA A 94 7.878 -4.967 -1.818 1.00 24.43 C ATOM 1332 O ALA A 94 8.279 -5.834 -1.051 1.00 20.32 O ATOM 1333 CB ALA A 94 8.685 -4.955 -4.234 1.00 34.24 C ATOM 0 H ALA A 94 6.441 -4.041 -4.507 1.00 74.13 H new ATOM 0 HA ALA A 94 7.403 -6.397 -3.304 1.00 73.42 H new ATOM 0 HB1 ALA A 94 9.606 -5.427 -3.893 1.00 34.24 H new ATOM 0 HB2 ALA A 94 8.446 -5.307 -5.238 1.00 34.24 H new ATOM 0 HB3 ALA A 94 8.817 -3.873 -4.251 1.00 34.24 H new ATOM 1339 N THR A 95 7.685 -3.709 -1.432 1.00 40.41 N ATOM 1340 CA THR A 95 8.054 -3.115 -0.150 1.00 20.34 C ATOM 1341 C THR A 95 7.064 -3.546 0.931 1.00 11.42 C ATOM 1342 O THR A 95 7.495 -3.958 2.005 1.00 40.30 O ATOM 1343 CB THR A 95 8.049 -1.576 -0.261 1.00 51.11 C ATOM 1344 OG1 THR A 95 8.909 -1.075 -1.260 1.00 61.21 O ATOM 1345 CG2 THR A 95 8.541 -0.900 1.027 1.00 54.25 C ATOM 0 H THR A 95 7.236 -3.031 -2.048 1.00 40.41 H new ATOM 0 HA THR A 95 9.054 -3.456 0.118 1.00 20.34 H new ATOM 0 HB THR A 95 7.007 -1.351 -0.487 1.00 51.11 H new ATOM 0 HG1 THR A 95 8.717 -1.522 -2.111 1.00 61.21 H new ATOM 0 HG21 THR A 95 8.520 0.182 0.901 1.00 54.25 H new ATOM 0 HG22 THR A 95 7.892 -1.181 1.856 1.00 54.25 H new ATOM 0 HG23 THR A 95 9.561 -1.221 1.239 1.00 54.25 H new ATOM 1353 N ALA A 96 5.750 -3.451 0.671 1.00 35.20 N ATOM 1354 CA ALA A 96 4.711 -3.628 1.684 1.00 12.42 C ATOM 1355 C ALA A 96 4.852 -4.969 2.396 1.00 55.42 C ATOM 1356 O ALA A 96 4.739 -5.050 3.621 1.00 15.33 O ATOM 1357 CB ALA A 96 3.341 -3.481 1.021 1.00 13.21 C ATOM 0 H ALA A 96 5.382 -3.247 -0.258 1.00 35.20 H new ATOM 0 HA ALA A 96 4.819 -2.860 2.449 1.00 12.42 H new ATOM 0 HB1 ALA A 96 2.559 -3.611 1.769 1.00 13.21 H new ATOM 0 HB2 ALA A 96 3.256 -2.489 0.577 1.00 13.21 H new ATOM 0 HB3 ALA A 96 3.230 -4.237 0.244 1.00 13.21 H new ATOM 1363 N ARG A 97 5.201 -5.994 1.619 1.00 13.35 N ATOM 1364 CA ARG A 97 5.561 -7.318 2.052 1.00 23.03 C ATOM 1365 C ARG A 97 6.518 -7.259 3.240 1.00 22.42 C ATOM 1366 O ARG A 97 6.223 -7.817 4.299 1.00 74.23 O ATOM 1367 CB ARG A 97 6.184 -7.976 0.801 1.00 21.34 C ATOM 1368 CG ARG A 97 6.747 -9.381 1.071 1.00 52.52 C ATOM 1369 CD ARG A 97 8.090 -9.720 0.399 1.00 40.33 C ATOM 1370 NE ARG A 97 9.268 -9.371 1.213 1.00 52.30 N ATOM 1371 CZ ARG A 97 9.829 -10.142 2.154 1.00 21.25 C ATOM 1372 NH1 ARG A 97 9.261 -11.269 2.560 1.00 63.10 N ATOM 1373 NH2 ARG A 97 10.974 -9.754 2.691 1.00 51.50 N ATOM 0 H ARG A 97 5.238 -5.901 0.604 1.00 13.35 H new ATOM 0 HA ARG A 97 4.712 -7.898 2.414 1.00 23.03 H new ATOM 0 HB2 ARG A 97 5.429 -8.039 0.018 1.00 21.34 H new ATOM 0 HB3 ARG A 97 6.983 -7.338 0.423 1.00 21.34 H new ATOM 0 HG2 ARG A 97 6.864 -9.501 2.148 1.00 52.52 H new ATOM 0 HG3 ARG A 97 6.008 -10.114 0.747 1.00 52.52 H new ATOM 0 HD2 ARG A 97 8.116 -10.787 0.178 1.00 40.33 H new ATOM 0 HD3 ARG A 97 8.151 -9.196 -0.555 1.00 40.33 H new ATOM 0 HE ARG A 97 9.695 -8.460 1.045 1.00 52.30 H new ATOM 0 HH11 ARG A 97 8.374 -11.568 2.154 1.00 63.10 H new ATOM 0 HH12 ARG A 97 9.711 -11.837 3.278 1.00 63.10 H new ATOM 0 HH21 ARG A 97 11.411 -8.884 2.387 1.00 51.50 H new ATOM 0 HH22 ARG A 97 11.420 -10.325 3.409 1.00 51.50 H new ATOM 1384 N GLU A 98 7.660 -6.615 3.038 1.00 32.22 N ATOM 1385 CA GLU A 98 8.713 -6.414 4.016 1.00 75.40 C ATOM 1386 C GLU A 98 8.147 -5.589 5.178 1.00 23.33 C ATOM 1387 O GLU A 98 8.215 -6.016 6.332 1.00 24.43 O ATOM 1388 CB GLU A 98 9.901 -5.742 3.283 1.00 75.14 C ATOM 1389 CG GLU A 98 11.262 -6.404 3.564 1.00 51.21 C ATOM 1390 CD GLU A 98 12.068 -6.580 2.270 1.00 43.30 C ATOM 1391 OE1 GLU A 98 11.659 -7.417 1.428 1.00 21.44 O ATOM 1392 OE2 GLU A 98 13.080 -5.869 2.070 1.00 15.55 O ATOM 0 H GLU A 98 7.886 -6.197 2.136 1.00 32.22 H new ATOM 0 HA GLU A 98 9.079 -7.344 4.451 1.00 75.40 H new ATOM 0 HB2 GLU A 98 9.712 -5.764 2.210 1.00 75.14 H new ATOM 0 HB3 GLU A 98 9.950 -4.694 3.577 1.00 75.14 H new ATOM 0 HG2 GLU A 98 11.828 -5.795 4.269 1.00 51.21 H new ATOM 0 HG3 GLU A 98 11.107 -7.375 4.035 1.00 51.21 H new ATOM 1397 N GLN A 99 7.515 -4.450 4.867 1.00 12.45 N ATOM 1398 CA GLN A 99 7.037 -3.482 5.846 1.00 62.23 C ATOM 1399 C GLN A 99 6.098 -4.076 6.907 1.00 44.34 C ATOM 1400 O GLN A 99 6.190 -3.632 8.043 1.00 71.33 O ATOM 1401 CB GLN A 99 6.373 -2.272 5.164 1.00 14.32 C ATOM 1402 CG GLN A 99 7.311 -1.063 4.979 1.00 75.12 C ATOM 1403 CD GLN A 99 6.554 0.225 4.629 1.00 31.03 C ATOM 1404 OE1 GLN A 99 5.422 0.433 5.054 1.00 62.23 O ATOM 1405 NE2 GLN A 99 7.121 1.142 3.864 1.00 3.14 N ATOM 0 H GLN A 99 7.320 -4.175 3.904 1.00 12.45 H new ATOM 0 HA GLN A 99 7.930 -3.151 6.376 1.00 62.23 H new ATOM 0 HB2 GLN A 99 5.997 -2.579 4.188 1.00 14.32 H new ATOM 0 HB3 GLN A 99 5.511 -1.963 5.755 1.00 14.32 H new ATOM 0 HG2 GLN A 99 7.881 -0.907 5.895 1.00 75.12 H new ATOM 0 HG3 GLN A 99 8.030 -1.283 4.190 1.00 75.12 H new ATOM 0 HE21 GLN A 99 8.061 0.991 3.499 1.00 3.14 H new ATOM 0 HE22 GLN A 99 6.618 2.000 3.639 1.00 3.14 H new ATOM 1412 N ILE A 100 5.225 -5.051 6.606 1.00 20.11 N ATOM 1413 CA ILE A 100 4.336 -5.631 7.633 1.00 24.30 C ATOM 1414 C ILE A 100 5.163 -6.220 8.780 1.00 61.21 C ATOM 1415 O ILE A 100 4.865 -5.999 9.952 1.00 31.32 O ATOM 1416 CB ILE A 100 3.418 -6.720 7.033 1.00 73.44 C ATOM 1417 CG1 ILE A 100 2.419 -6.208 5.968 1.00 61.23 C ATOM 1418 CG2 ILE A 100 2.618 -7.516 8.084 1.00 4.12 C ATOM 1419 CD1 ILE A 100 1.485 -5.091 6.452 1.00 54.44 C ATOM 0 H ILE A 100 5.114 -5.451 5.674 1.00 20.11 H new ATOM 0 HA ILE A 100 3.706 -4.830 8.018 1.00 24.30 H new ATOM 0 HB ILE A 100 4.140 -7.378 6.550 1.00 73.44 H new ATOM 0 HG12 ILE A 100 2.980 -5.846 5.107 1.00 61.23 H new ATOM 0 HG13 ILE A 100 1.813 -7.047 5.624 1.00 61.23 H new ATOM 0 HG21 ILE A 100 1.999 -8.260 7.583 1.00 4.12 H new ATOM 0 HG22 ILE A 100 3.308 -8.016 8.764 1.00 4.12 H new ATOM 0 HG23 ILE A 100 1.981 -6.835 8.649 1.00 4.12 H new ATOM 0 HD11 ILE A 100 0.821 -4.795 5.640 1.00 54.44 H new ATOM 0 HD12 ILE A 100 0.892 -5.451 7.293 1.00 54.44 H new ATOM 0 HD13 ILE A 100 2.078 -4.232 6.767 1.00 54.44 H new ATOM 1430 N ILE A 101 6.184 -7.008 8.449 1.00 62.30 N ATOM 1431 CA ILE A 101 7.010 -7.662 9.442 1.00 62.12 C ATOM 1432 C ILE A 101 7.967 -6.648 10.060 1.00 2.53 C ATOM 1433 O ILE A 101 8.289 -6.741 11.243 1.00 73.34 O ATOM 1434 CB ILE A 101 7.718 -8.856 8.790 1.00 55.42 C ATOM 1435 CG1 ILE A 101 6.687 -9.847 8.210 1.00 62.21 C ATOM 1436 CG2 ILE A 101 8.639 -9.565 9.788 1.00 32.44 C ATOM 1437 CD1 ILE A 101 5.645 -10.403 9.182 1.00 73.42 C ATOM 0 H ILE A 101 6.455 -7.206 7.486 1.00 62.30 H new ATOM 0 HA ILE A 101 6.408 -8.054 10.261 1.00 62.12 H new ATOM 0 HB ILE A 101 8.333 -8.476 7.974 1.00 55.42 H new ATOM 0 HG12 ILE A 101 6.161 -9.352 7.394 1.00 62.21 H new ATOM 0 HG13 ILE A 101 7.229 -10.687 7.776 1.00 62.21 H new ATOM 0 HG21 ILE A 101 9.127 -10.407 9.298 1.00 32.44 H new ATOM 0 HG22 ILE A 101 9.395 -8.866 10.146 1.00 32.44 H new ATOM 0 HG23 ILE A 101 8.051 -9.927 10.631 1.00 32.44 H new ATOM 0 HD11 ILE A 101 4.981 -11.086 8.652 1.00 73.42 H new ATOM 0 HD12 ILE A 101 6.148 -10.938 9.988 1.00 73.42 H new ATOM 0 HD13 ILE A 101 5.063 -9.582 9.600 1.00 73.42 H new ATOM 1448 N SER A 102 8.401 -5.657 9.288 1.00 1.22 N ATOM 1449 CA SER A 102 9.257 -4.599 9.792 1.00 5.45 C ATOM 1450 C SER A 102 8.483 -3.620 10.703 1.00 74.32 C ATOM 1451 O SER A 102 9.103 -2.822 11.410 1.00 73.43 O ATOM 1452 CB SER A 102 9.902 -3.928 8.574 1.00 63.25 C ATOM 1453 OG SER A 102 10.917 -3.019 8.949 1.00 34.13 O ATOM 0 H SER A 102 8.168 -5.568 8.299 1.00 1.22 H new ATOM 0 HA SER A 102 10.039 -4.999 10.437 1.00 5.45 H new ATOM 0 HB2 SER A 102 10.322 -4.691 7.919 1.00 63.25 H new ATOM 0 HB3 SER A 102 9.137 -3.403 8.002 1.00 63.25 H new ATOM 0 HG SER A 102 10.687 -2.608 9.809 1.00 34.13 H new ATOM 1458 N GLU A 103 7.147 -3.641 10.684 1.00 62.13 N ATOM 1459 CA GLU A 103 6.253 -2.859 11.534 1.00 34.12 C ATOM 1460 C GLU A 103 6.045 -3.521 12.899 1.00 25.14 C ATOM 1461 O GLU A 103 5.542 -2.862 13.806 1.00 42.11 O ATOM 1462 CB GLU A 103 4.924 -2.657 10.777 1.00 4.21 C ATOM 1463 CG GLU A 103 3.749 -2.132 11.616 1.00 61.11 C ATOM 1464 CD GLU A 103 2.520 -1.707 10.799 1.00 2.21 C ATOM 1465 OE1 GLU A 103 2.247 -2.253 9.704 1.00 30.11 O ATOM 1466 OE2 GLU A 103 1.800 -0.768 11.208 1.00 72.34 O ATOM 0 H GLU A 103 6.634 -4.240 10.037 1.00 62.13 H new ATOM 0 HA GLU A 103 6.700 -1.887 11.744 1.00 34.12 H new ATOM 0 HB2 GLU A 103 5.098 -1.962 9.955 1.00 4.21 H new ATOM 0 HB3 GLU A 103 4.632 -3.609 10.333 1.00 4.21 H new ATOM 0 HG2 GLU A 103 3.449 -2.906 12.322 1.00 61.11 H new ATOM 0 HG3 GLU A 103 4.091 -1.280 12.203 1.00 61.11 H new ATOM 1471 N ILE A 104 6.390 -4.801 13.058 1.00 73.42 N ATOM 1472 CA ILE A 104 6.344 -5.462 14.366 1.00 21.34 C ATOM 1473 C ILE A 104 7.370 -4.768 15.267 1.00 11.41 C ATOM 1474 O ILE A 104 6.985 -3.865 16.045 1.00 44.21 O ATOM 1475 CB ILE A 104 6.584 -6.989 14.262 1.00 70.33 C ATOM 1476 CG1 ILE A 104 5.809 -7.673 13.119 1.00 70.33 C ATOM 1477 CG2 ILE A 104 6.187 -7.652 15.596 1.00 25.45 C ATOM 1478 CD1 ILE A 104 6.357 -9.077 12.832 1.00 3.51 C ATOM 0 H ILE A 104 6.705 -5.402 12.296 1.00 73.42 H new ATOM 0 HA ILE A 104 5.348 -5.367 14.798 1.00 21.34 H new ATOM 0 HB ILE A 104 7.644 -7.118 14.041 1.00 70.33 H new ATOM 0 HG12 ILE A 104 4.753 -7.740 13.382 1.00 70.33 H new ATOM 0 HG13 ILE A 104 5.875 -7.064 12.217 1.00 70.33 H new ATOM 0 HG21 ILE A 104 6.353 -8.727 15.531 1.00 25.45 H new ATOM 0 HG22 ILE A 104 6.793 -7.239 16.402 1.00 25.45 H new ATOM 0 HG23 ILE A 104 5.134 -7.459 15.799 1.00 25.45 H new ATOM 0 HD11 ILE A 104 5.788 -9.531 12.021 1.00 3.51 H new ATOM 0 HD12 ILE A 104 7.406 -9.006 12.544 1.00 3.51 H new ATOM 0 HD13 ILE A 104 6.267 -9.693 13.727 1.00 3.51 H new TER 1489 ILE A 104