USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 708 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 64 ASN : amide:sc= -2.24! K(o=-1.1!,f=1.1) USER MOD Set 1.2: A 83 SER OG : rot 61:sc= 1.18 USER MOD Set 2.1: A 19 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 48 SER OG : rot -168:sc= 0.594 USER MOD Single : A 1 GLY N :NH3+ -100:sc= 0.0145 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.00046) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 140:sc= -0.94 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -77:sc= 0.373 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0743 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 28:sc= 0.105 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.08 USER MOD Single : A 73 MET CE :methyl -149:sc= -2.98 (180deg=-8.85!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -38:sc= 0.73 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -3.38 K(o=-3.4,f=-4.6!) USER MOD Single : A 88 MET CE :methyl -150:sc= -8.3! (180deg=-9.81!) USER MOD Single : A 89 MET CE :methyl 149:sc= -3.9 (180deg=-4.09!) USER MOD Single : A 93 MET CE :methyl 133:sc= -0.525 (180deg=-2.69!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.217 -4.166 -31.067 1.00 0.00 N ATOM 2 CA GLY A 1 -4.589 -5.263 -31.945 1.00 0.00 C ATOM 3 C GLY A 1 -5.613 -6.180 -31.274 1.00 0.00 C ATOM 4 O GLY A 1 -5.533 -6.432 -30.073 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.740 -3.310 -31.341 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.449 -4.414 -30.084 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.195 -3.988 -31.147 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.003 -4.867 -32.872 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.702 -5.837 -32.212 1.00 0.00 H new ATOM 8 N SER A 2 -6.553 -6.653 -32.080 1.00 0.00 N ATOM 9 CA SER A 2 -7.593 -7.536 -31.579 1.00 0.00 C ATOM 10 C SER A 2 -8.389 -6.835 -30.477 1.00 0.00 C ATOM 11 O SER A 2 -7.976 -5.790 -29.977 1.00 0.00 O ATOM 12 CB SER A 2 -6.998 -8.844 -31.054 1.00 0.00 C ATOM 13 OG SER A 2 -7.711 -9.983 -31.530 1.00 0.00 O ATOM 0 H SER A 2 -6.616 -6.441 -33.076 1.00 0.00 H new ATOM 0 HA SER A 2 -8.263 -7.778 -32.404 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.954 -8.916 -31.359 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.012 -8.837 -29.964 1.00 0.00 H new ATOM 0 HG SER A 2 -7.300 -10.798 -31.174 1.00 0.00 H new ATOM 19 N SER A 3 -9.516 -7.439 -30.130 1.00 0.00 N ATOM 20 CA SER A 3 -10.374 -6.886 -29.095 1.00 0.00 C ATOM 21 C SER A 3 -10.538 -7.894 -27.957 1.00 0.00 C ATOM 22 O SER A 3 -10.802 -9.071 -28.199 1.00 0.00 O ATOM 23 CB SER A 3 -11.741 -6.498 -29.663 1.00 0.00 C ATOM 24 OG SER A 3 -11.978 -5.096 -29.572 1.00 0.00 O ATOM 0 H SER A 3 -9.855 -8.306 -30.547 1.00 0.00 H new ATOM 0 HA SER A 3 -9.903 -5.983 -28.706 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.802 -6.809 -30.706 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.523 -7.034 -29.124 1.00 0.00 H new ATOM 0 HG SER A 3 -12.860 -4.888 -29.946 1.00 0.00 H new ATOM 30 N GLY A 4 -10.376 -7.397 -26.740 1.00 0.00 N ATOM 31 CA GLY A 4 -10.503 -8.240 -25.563 1.00 0.00 C ATOM 32 C GLY A 4 -9.131 -8.711 -25.076 1.00 0.00 C ATOM 33 O GLY A 4 -8.723 -8.395 -23.960 1.00 0.00 O ATOM 0 H GLY A 4 -10.158 -6.420 -26.543 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.005 -7.688 -24.768 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.127 -9.103 -25.795 1.00 0.00 H new ATOM 37 N SER A 5 -8.459 -9.461 -25.937 1.00 0.00 N ATOM 38 CA SER A 5 -7.142 -9.979 -25.608 1.00 0.00 C ATOM 39 C SER A 5 -7.139 -10.536 -24.183 1.00 0.00 C ATOM 40 O SER A 5 -6.845 -9.814 -23.231 1.00 0.00 O ATOM 41 CB SER A 5 -6.071 -8.897 -25.757 1.00 0.00 C ATOM 42 OG SER A 5 -5.796 -8.603 -27.124 1.00 0.00 O ATOM 0 H SER A 5 -8.802 -9.722 -26.862 1.00 0.00 H new ATOM 0 HA SER A 5 -6.907 -10.783 -26.306 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.399 -7.990 -25.250 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.155 -9.223 -25.265 1.00 0.00 H new ATOM 0 HG SER A 5 -5.109 -7.907 -27.177 1.00 0.00 H new ATOM 48 N SER A 6 -7.471 -11.814 -24.080 1.00 0.00 N ATOM 49 CA SER A 6 -7.511 -12.476 -22.787 1.00 0.00 C ATOM 50 C SER A 6 -6.156 -12.344 -22.089 1.00 0.00 C ATOM 51 O SER A 6 -5.149 -12.050 -22.732 1.00 0.00 O ATOM 52 CB SER A 6 -7.891 -13.951 -22.934 1.00 0.00 C ATOM 53 OG SER A 6 -8.605 -14.434 -21.800 1.00 0.00 O ATOM 0 H SER A 6 -7.715 -12.409 -24.871 1.00 0.00 H new ATOM 0 HA SER A 6 -8.275 -11.991 -22.179 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.500 -14.081 -23.828 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.988 -14.546 -23.074 1.00 0.00 H new ATOM 0 HG SER A 6 -8.831 -15.378 -21.933 1.00 0.00 H new ATOM 59 N GLY A 7 -6.174 -12.567 -20.784 1.00 0.00 N ATOM 60 CA GLY A 7 -4.959 -12.476 -19.992 1.00 0.00 C ATOM 61 C GLY A 7 -4.815 -13.687 -19.068 1.00 0.00 C ATOM 62 O GLY A 7 -5.784 -14.404 -18.823 1.00 0.00 O ATOM 0 H GLY A 7 -7.011 -12.811 -20.254 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.094 -12.413 -20.652 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.975 -11.561 -19.399 1.00 0.00 H new ATOM 66 N SER A 8 -3.598 -13.877 -18.580 1.00 0.00 N ATOM 67 CA SER A 8 -3.315 -14.989 -17.688 1.00 0.00 C ATOM 68 C SER A 8 -3.341 -14.513 -16.234 1.00 0.00 C ATOM 69 O SER A 8 -3.504 -15.317 -15.317 1.00 0.00 O ATOM 70 CB SER A 8 -1.962 -15.625 -18.014 1.00 0.00 C ATOM 71 OG SER A 8 -0.873 -14.787 -17.638 1.00 0.00 O ATOM 0 H SER A 8 -2.797 -13.280 -18.785 1.00 0.00 H new ATOM 0 HA SER A 8 -4.086 -15.746 -17.830 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.878 -16.582 -17.499 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.907 -15.833 -19.083 1.00 0.00 H new ATOM 0 HG SER A 8 -0.028 -15.229 -17.861 1.00 0.00 H new ATOM 77 N ASP A 9 -3.178 -13.209 -16.069 1.00 0.00 N ATOM 78 CA ASP A 9 -3.181 -12.616 -14.742 1.00 0.00 C ATOM 79 C ASP A 9 -4.215 -11.489 -14.693 1.00 0.00 C ATOM 80 O ASP A 9 -4.635 -10.983 -15.733 1.00 0.00 O ATOM 81 CB ASP A 9 -1.814 -12.019 -14.402 1.00 0.00 C ATOM 82 CG ASP A 9 -0.619 -12.926 -14.704 1.00 0.00 C ATOM 83 OD1 ASP A 9 -0.640 -14.074 -14.211 1.00 0.00 O ATOM 84 OD2 ASP A 9 0.288 -12.450 -15.420 1.00 0.00 O ATOM 0 H ASP A 9 -3.043 -12.546 -16.832 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.421 -13.400 -14.024 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.693 -11.088 -14.955 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.799 -11.764 -13.342 1.00 0.00 H new ATOM 89 N ILE A 10 -4.595 -11.130 -13.476 1.00 0.00 N ATOM 90 CA ILE A 10 -5.571 -10.072 -13.279 1.00 0.00 C ATOM 91 C ILE A 10 -5.047 -9.090 -12.229 1.00 0.00 C ATOM 92 O ILE A 10 -4.215 -9.450 -11.398 1.00 0.00 O ATOM 93 CB ILE A 10 -6.940 -10.664 -12.938 1.00 0.00 C ATOM 94 CG1 ILE A 10 -7.412 -11.622 -14.034 1.00 0.00 C ATOM 95 CG2 ILE A 10 -7.963 -9.558 -12.665 1.00 0.00 C ATOM 96 CD1 ILE A 10 -8.930 -11.554 -14.207 1.00 0.00 C ATOM 0 H ILE A 10 -4.245 -11.553 -12.616 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.713 -9.508 -14.201 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.841 -11.246 -12.022 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.924 -11.371 -14.976 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.117 -12.641 -13.783 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.927 -10.006 -12.425 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.626 -8.950 -11.825 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.065 -8.930 -13.550 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.238 -12.245 -14.992 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.416 -11.829 -13.271 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.220 -10.540 -14.482 1.00 0.00 H new ATOM 108 N ILE A 11 -5.556 -7.869 -12.302 1.00 0.00 N ATOM 109 CA ILE A 11 -5.150 -6.832 -11.368 1.00 0.00 C ATOM 110 C ILE A 11 -6.197 -6.712 -10.259 1.00 0.00 C ATOM 111 O ILE A 11 -7.393 -6.629 -10.535 1.00 0.00 O ATOM 112 CB ILE A 11 -4.885 -5.519 -12.108 1.00 0.00 C ATOM 113 CG1 ILE A 11 -3.602 -5.606 -12.937 1.00 0.00 C ATOM 114 CG2 ILE A 11 -4.860 -4.338 -11.136 1.00 0.00 C ATOM 115 CD1 ILE A 11 -2.384 -5.195 -12.108 1.00 0.00 C ATOM 0 H ILE A 11 -6.246 -7.574 -12.993 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.207 -7.098 -10.890 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.706 -5.347 -12.803 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.470 -6.624 -13.303 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.686 -4.961 -13.812 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.670 -3.417 -11.687 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.821 -4.265 -10.628 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.071 -4.490 -10.400 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.486 -5.266 -12.721 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.508 -4.168 -11.763 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.289 -5.857 -11.248 1.00 0.00 H new ATOM 127 N HIS A 12 -5.709 -6.708 -9.027 1.00 0.00 N ATOM 128 CA HIS A 12 -6.588 -6.600 -7.874 1.00 0.00 C ATOM 129 C HIS A 12 -6.653 -5.143 -7.413 1.00 0.00 C ATOM 130 O HIS A 12 -5.863 -4.311 -7.859 1.00 0.00 O ATOM 131 CB HIS A 12 -6.146 -7.555 -6.763 1.00 0.00 C ATOM 132 CG HIS A 12 -6.700 -8.953 -6.898 1.00 0.00 C ATOM 133 ND1 HIS A 12 -7.573 -9.506 -5.977 1.00 0.00 N ATOM 134 CD2 HIS A 12 -6.497 -9.903 -7.855 1.00 0.00 C ATOM 135 CE1 HIS A 12 -7.874 -10.734 -6.372 1.00 0.00 C ATOM 136 NE2 HIS A 12 -7.206 -10.979 -7.536 1.00 0.00 N ATOM 0 H HIS A 12 -4.717 -6.778 -8.802 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.598 -6.902 -8.152 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -5.057 -7.606 -6.754 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -6.454 -7.145 -5.801 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.866 -9.798 -8.725 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -8.533 -11.421 -5.862 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.245 -11.846 -8.072 1.00 0.00 H new ATOM 144 N SER A 13 -7.601 -4.878 -6.527 1.00 0.00 N ATOM 145 CA SER A 13 -7.780 -3.535 -6.001 1.00 0.00 C ATOM 146 C SER A 13 -7.701 -3.558 -4.473 1.00 0.00 C ATOM 147 O SER A 13 -8.412 -4.322 -3.822 1.00 0.00 O ATOM 148 CB SER A 13 -9.113 -2.938 -6.455 1.00 0.00 C ATOM 149 OG SER A 13 -9.866 -3.854 -7.245 1.00 0.00 O ATOM 0 H SER A 13 -8.254 -5.570 -6.160 1.00 0.00 H new ATOM 0 HA SER A 13 -6.980 -2.905 -6.391 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.697 -2.648 -5.581 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.927 -2.031 -7.030 1.00 0.00 H new ATOM 0 HG SER A 13 -10.711 -3.436 -7.514 1.00 0.00 H new ATOM 155 N VAL A 14 -6.831 -2.709 -3.945 1.00 0.00 N ATOM 156 CA VAL A 14 -6.651 -2.622 -2.505 1.00 0.00 C ATOM 157 C VAL A 14 -6.352 -1.172 -2.120 1.00 0.00 C ATOM 158 O VAL A 14 -5.716 -0.442 -2.880 1.00 0.00 O ATOM 159 CB VAL A 14 -5.561 -3.597 -2.054 1.00 0.00 C ATOM 160 CG1 VAL A 14 -4.240 -3.312 -2.772 1.00 0.00 C ATOM 161 CG2 VAL A 14 -5.381 -3.553 -0.536 1.00 0.00 C ATOM 0 H VAL A 14 -6.244 -2.076 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.565 -2.914 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.879 -4.604 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.482 -4.019 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.380 -3.418 -3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.915 -2.296 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.601 -4.255 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.096 -2.546 -0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.318 -3.827 -0.050 1.00 0.00 H new ATOM 171 N ARG A 15 -6.825 -0.797 -0.941 1.00 0.00 N ATOM 172 CA ARG A 15 -6.617 0.553 -0.446 1.00 0.00 C ATOM 173 C ARG A 15 -6.038 0.516 0.970 1.00 0.00 C ATOM 174 O ARG A 15 -6.761 0.274 1.934 1.00 0.00 O ATOM 175 CB ARG A 15 -7.927 1.343 -0.433 1.00 0.00 C ATOM 176 CG ARG A 15 -8.372 1.691 -1.855 1.00 0.00 C ATOM 177 CD ARG A 15 -9.744 2.370 -1.849 1.00 0.00 C ATOM 178 NE ARG A 15 -9.589 3.825 -2.074 1.00 0.00 N ATOM 179 CZ ARG A 15 -10.609 4.694 -2.095 1.00 0.00 C ATOM 180 NH1 ARG A 15 -11.863 4.261 -1.904 1.00 0.00 N ATOM 181 NH2 ARG A 15 -10.375 5.996 -2.305 1.00 0.00 N ATOM 0 H ARG A 15 -7.352 -1.405 -0.314 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.914 1.047 -1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.703 0.759 0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.798 2.258 0.146 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.638 2.350 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.413 0.785 -2.459 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.376 1.939 -2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.243 2.192 -0.896 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.648 4.189 -2.222 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.041 3.270 -1.743 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.639 4.923 -1.920 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.421 6.326 -2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.151 6.658 -2.321 1.00 0.00 H new ATOM 195 N VAL A 16 -4.738 0.760 1.049 1.00 0.00 N ATOM 196 CA VAL A 16 -4.053 0.757 2.331 1.00 0.00 C ATOM 197 C VAL A 16 -3.936 2.194 2.844 1.00 0.00 C ATOM 198 O VAL A 16 -3.180 2.994 2.295 1.00 0.00 O ATOM 199 CB VAL A 16 -2.699 0.057 2.199 1.00 0.00 C ATOM 200 CG1 VAL A 16 -1.887 0.187 3.489 1.00 0.00 C ATOM 201 CG2 VAL A 16 -2.877 -1.411 1.808 1.00 0.00 C ATOM 0 H VAL A 16 -4.141 0.961 0.247 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.624 0.193 3.069 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.143 0.550 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.929 -0.319 3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.716 1.241 3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.437 -0.268 4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.900 -1.885 1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.462 -1.923 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.397 -1.472 0.852 1.00 0.00 H new ATOM 211 N GLU A 17 -4.695 2.477 3.893 1.00 0.00 N ATOM 212 CA GLU A 17 -4.686 3.803 4.487 1.00 0.00 C ATOM 213 C GLU A 17 -3.500 3.948 5.443 1.00 0.00 C ATOM 214 O GLU A 17 -3.115 2.989 6.109 1.00 0.00 O ATOM 215 CB GLU A 17 -6.006 4.093 5.202 1.00 0.00 C ATOM 216 CG GLU A 17 -6.165 3.208 6.440 1.00 0.00 C ATOM 217 CD GLU A 17 -7.488 3.495 7.154 1.00 0.00 C ATOM 218 OE1 GLU A 17 -8.534 3.370 6.481 1.00 0.00 O ATOM 219 OE2 GLU A 17 -7.422 3.832 8.355 1.00 0.00 O ATOM 0 H GLU A 17 -5.320 1.811 4.347 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.576 4.537 3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.043 5.143 5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.839 3.923 4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.125 2.158 6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.334 3.381 7.124 1.00 0.00 H new ATOM 226 N LYS A 18 -2.956 5.155 5.482 1.00 0.00 N ATOM 227 CA LYS A 18 -1.822 5.438 6.346 1.00 0.00 C ATOM 228 C LYS A 18 -2.304 5.537 7.795 1.00 0.00 C ATOM 229 O LYS A 18 -3.470 5.834 8.046 1.00 0.00 O ATOM 230 CB LYS A 18 -1.075 6.682 5.860 1.00 0.00 C ATOM 231 CG LYS A 18 -1.870 7.953 6.163 1.00 0.00 C ATOM 232 CD LYS A 18 -1.032 9.203 5.888 1.00 0.00 C ATOM 233 CE LYS A 18 -1.665 10.440 6.530 1.00 0.00 C ATOM 234 NZ LYS A 18 -2.709 11.005 5.646 1.00 0.00 N ATOM 0 H LYS A 18 -3.279 5.949 4.929 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.098 4.624 6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.099 6.736 6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.897 6.607 4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.773 7.975 5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.189 7.947 7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.024 9.062 6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.940 9.354 4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.100 10.175 7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.898 11.190 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.128 11.843 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.284 11.276 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.449 10.293 5.483 1.00 0.00 H new ATOM 248 N SER A 19 -1.380 5.282 8.710 1.00 0.00 N ATOM 249 CA SER A 19 -1.695 5.338 10.127 1.00 0.00 C ATOM 250 C SER A 19 -0.407 5.444 10.946 1.00 0.00 C ATOM 251 O SER A 19 0.555 4.722 10.691 1.00 0.00 O ATOM 252 CB SER A 19 -2.502 4.113 10.561 1.00 0.00 C ATOM 253 OG SER A 19 -1.757 2.906 10.418 1.00 0.00 O ATOM 0 H SER A 19 -0.413 5.036 8.497 1.00 0.00 H new ATOM 0 HA SER A 19 -2.305 6.223 10.307 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.808 4.230 11.601 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.413 4.050 9.966 1.00 0.00 H new ATOM 0 HG SER A 19 -2.305 2.147 10.707 1.00 0.00 H new ATOM 259 N PRO A 20 -0.432 6.373 11.939 1.00 0.00 N ATOM 260 CA PRO A 20 0.722 6.582 12.797 1.00 0.00 C ATOM 261 C PRO A 20 0.861 5.448 13.814 1.00 0.00 C ATOM 262 O PRO A 20 0.550 5.624 14.991 1.00 0.00 O ATOM 263 CB PRO A 20 0.490 7.937 13.445 1.00 0.00 C ATOM 264 CG PRO A 20 -0.994 8.225 13.289 1.00 0.00 C ATOM 265 CD PRO A 20 -1.554 7.246 12.270 1.00 0.00 C ATOM 0 HA PRO A 20 1.663 6.575 12.247 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.776 7.921 14.497 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.090 8.708 12.963 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.507 8.116 14.245 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.151 9.252 12.958 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.388 6.679 12.683 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.927 7.764 11.386 1.00 0.00 H new ATOM 273 N ALA A 21 1.330 4.310 13.324 1.00 0.00 N ATOM 274 CA ALA A 21 1.514 3.147 14.176 1.00 0.00 C ATOM 275 C ALA A 21 2.983 2.720 14.138 1.00 0.00 C ATOM 276 O ALA A 21 3.650 2.686 15.170 1.00 0.00 O ATOM 277 CB ALA A 21 0.570 2.030 13.727 1.00 0.00 C ATOM 0 H ALA A 21 1.588 4.168 12.347 1.00 0.00 H new ATOM 0 HA ALA A 21 1.267 3.386 15.210 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.708 1.158 14.366 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.462 2.374 13.801 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.790 1.761 12.694 1.00 0.00 H new ATOM 283 N GLY A 22 3.443 2.405 12.936 1.00 0.00 N ATOM 284 CA GLY A 22 4.820 1.981 12.749 1.00 0.00 C ATOM 285 C GLY A 22 5.021 1.362 11.365 1.00 0.00 C ATOM 286 O GLY A 22 4.797 0.167 11.177 1.00 0.00 O ATOM 0 H GLY A 22 2.886 2.435 12.082 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.487 2.835 12.869 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.088 1.256 13.518 1.00 0.00 H new ATOM 290 N ARG A 23 5.441 2.203 10.431 1.00 0.00 N ATOM 291 CA ARG A 23 5.674 1.753 9.069 1.00 0.00 C ATOM 292 C ARG A 23 4.377 1.222 8.456 1.00 0.00 C ATOM 293 O ARG A 23 3.434 0.894 9.176 1.00 0.00 O ATOM 294 CB ARG A 23 6.737 0.653 9.027 1.00 0.00 C ATOM 295 CG ARG A 23 7.894 1.045 8.105 1.00 0.00 C ATOM 296 CD ARG A 23 8.489 -0.187 7.419 1.00 0.00 C ATOM 297 NE ARG A 23 9.936 -0.282 7.718 1.00 0.00 N ATOM 298 CZ ARG A 23 10.435 -0.633 8.911 1.00 0.00 C ATOM 299 NH1 ARG A 23 9.608 -0.923 9.924 1.00 0.00 N ATOM 300 NH2 ARG A 23 11.761 -0.693 9.091 1.00 0.00 N ATOM 0 H ARG A 23 5.626 3.193 10.591 1.00 0.00 H new ATOM 0 HA ARG A 23 6.029 2.608 8.493 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.115 0.469 10.033 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.289 -0.278 8.679 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.541 1.750 7.352 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.667 1.554 8.681 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.978 -1.087 7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.335 -0.124 6.342 1.00 0.00 H new ATOM 0 HE ARG A 23 10.594 -0.067 6.969 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.598 -0.877 9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.988 -1.190 10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.391 -0.471 8.320 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.141 -0.960 9.999 1.00 0.00 H new ATOM 314 N LEU A 24 4.370 1.152 7.133 1.00 0.00 N ATOM 315 CA LEU A 24 3.204 0.667 6.415 1.00 0.00 C ATOM 316 C LEU A 24 2.618 -0.536 7.157 1.00 0.00 C ATOM 317 O LEU A 24 3.335 -1.244 7.862 1.00 0.00 O ATOM 318 CB LEU A 24 3.556 0.377 4.955 1.00 0.00 C ATOM 319 CG LEU A 24 3.230 1.486 3.953 1.00 0.00 C ATOM 320 CD1 LEU A 24 1.827 2.047 4.192 1.00 0.00 C ATOM 321 CD2 LEU A 24 4.298 2.582 3.982 1.00 0.00 C ATOM 0 H LEU A 24 5.154 1.423 6.539 1.00 0.00 H new ATOM 0 HA LEU A 24 2.429 1.433 6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.623 0.163 4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.031 -0.528 4.648 1.00 0.00 H new ATOM 0 HG LEU A 24 3.238 1.055 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.621 2.834 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.092 1.249 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.766 2.458 5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.042 3.358 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.347 3.016 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.267 2.153 3.726 1.00 0.00 H new ATOM 333 N GLY A 25 1.320 -0.731 6.972 1.00 0.00 N ATOM 334 CA GLY A 25 0.630 -1.836 7.615 1.00 0.00 C ATOM 335 C GLY A 25 1.117 -3.179 7.068 1.00 0.00 C ATOM 336 O GLY A 25 0.777 -4.232 7.605 1.00 0.00 O ATOM 0 H GLY A 25 0.728 -0.142 6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.796 -1.796 8.692 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.444 -1.742 7.454 1.00 0.00 H new ATOM 340 N PHE A 26 1.904 -3.099 6.005 1.00 0.00 N ATOM 341 CA PHE A 26 2.440 -4.295 5.379 1.00 0.00 C ATOM 342 C PHE A 26 3.965 -4.219 5.268 1.00 0.00 C ATOM 343 O PHE A 26 4.532 -3.131 5.189 1.00 0.00 O ATOM 344 CB PHE A 26 1.842 -4.371 3.973 1.00 0.00 C ATOM 345 CG PHE A 26 2.089 -3.122 3.123 1.00 0.00 C ATOM 346 CD1 PHE A 26 1.425 -1.968 3.402 1.00 0.00 C ATOM 347 CD2 PHE A 26 2.971 -3.167 2.089 1.00 0.00 C ATOM 348 CE1 PHE A 26 1.654 -0.810 2.614 1.00 0.00 C ATOM 349 CE2 PHE A 26 3.200 -2.008 1.301 1.00 0.00 C ATOM 350 CZ PHE A 26 2.537 -0.854 1.580 1.00 0.00 C ATOM 0 H PHE A 26 2.183 -2.224 5.562 1.00 0.00 H new ATOM 0 HA PHE A 26 2.189 -5.172 5.976 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.259 -5.237 3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.768 -4.536 4.055 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.724 -1.933 4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.497 -4.084 1.867 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.127 0.106 2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.901 -2.043 0.480 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.711 0.027 0.981 1.00 0.00 H new ATOM 360 N SER A 27 4.585 -5.390 5.266 1.00 0.00 N ATOM 361 CA SER A 27 6.032 -5.471 5.166 1.00 0.00 C ATOM 362 C SER A 27 6.434 -5.961 3.774 1.00 0.00 C ATOM 363 O SER A 27 5.999 -7.026 3.338 1.00 0.00 O ATOM 364 CB SER A 27 6.608 -6.394 6.242 1.00 0.00 C ATOM 365 OG SER A 27 7.969 -6.090 6.534 1.00 0.00 O ATOM 0 H SER A 27 4.111 -6.291 5.332 1.00 0.00 H new ATOM 0 HA SER A 27 6.442 -4.474 5.325 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.014 -6.305 7.151 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.531 -7.429 5.910 1.00 0.00 H new ATOM 0 HG SER A 27 8.299 -6.700 7.226 1.00 0.00 H new ATOM 371 N VAL A 28 7.260 -5.162 3.116 1.00 0.00 N ATOM 372 CA VAL A 28 7.726 -5.502 1.782 1.00 0.00 C ATOM 373 C VAL A 28 9.204 -5.891 1.847 1.00 0.00 C ATOM 374 O VAL A 28 9.939 -5.413 2.710 1.00 0.00 O ATOM 375 CB VAL A 28 7.455 -4.342 0.822 1.00 0.00 C ATOM 376 CG1 VAL A 28 5.958 -4.204 0.538 1.00 0.00 C ATOM 377 CG2 VAL A 28 8.033 -3.034 1.365 1.00 0.00 C ATOM 0 H VAL A 28 7.619 -4.280 3.481 1.00 0.00 H new ATOM 0 HA VAL A 28 7.180 -6.362 1.394 1.00 0.00 H new ATOM 0 HB VAL A 28 7.956 -4.563 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.793 -3.372 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.587 -5.124 0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.426 -4.017 1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.826 -2.226 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.575 -2.805 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.111 -3.137 1.492 1.00 0.00 H new ATOM 387 N ARG A 29 9.596 -6.756 0.922 1.00 0.00 N ATOM 388 CA ARG A 29 10.974 -7.215 0.863 1.00 0.00 C ATOM 389 C ARG A 29 11.605 -6.830 -0.476 1.00 0.00 C ATOM 390 O ARG A 29 10.897 -6.541 -1.440 1.00 0.00 O ATOM 391 CB ARG A 29 11.056 -8.733 1.040 1.00 0.00 C ATOM 392 CG ARG A 29 10.298 -9.457 -0.074 1.00 0.00 C ATOM 393 CD ARG A 29 10.805 -10.891 -0.241 1.00 0.00 C ATOM 394 NE ARG A 29 10.968 -11.206 -1.677 1.00 0.00 N ATOM 395 CZ ARG A 29 11.750 -12.188 -2.147 1.00 0.00 C ATOM 396 NH1 ARG A 29 12.445 -12.956 -1.296 1.00 0.00 N ATOM 397 NH2 ARG A 29 11.837 -12.402 -3.467 1.00 0.00 N ATOM 0 H ARG A 29 8.984 -7.151 0.208 1.00 0.00 H new ATOM 0 HA ARG A 29 11.519 -6.735 1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.100 -9.047 1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.641 -9.013 2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.232 -9.469 0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.417 -8.914 -1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.757 -11.012 0.276 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.103 -11.589 0.216 1.00 0.00 H new ATOM 0 HE ARG A 29 10.453 -10.641 -2.352 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.379 -12.793 -0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.040 -13.703 -1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.308 -11.818 -4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.432 -13.149 -3.824 1.00 0.00 H new ATOM 411 N GLY A 30 12.930 -6.837 -0.493 1.00 0.00 N ATOM 412 CA GLY A 30 13.664 -6.492 -1.699 1.00 0.00 C ATOM 413 C GLY A 30 14.281 -5.097 -1.584 1.00 0.00 C ATOM 414 O GLY A 30 14.584 -4.637 -0.484 1.00 0.00 O ATOM 0 H GLY A 30 13.514 -7.076 0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.449 -7.228 -1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.995 -6.528 -2.559 1.00 0.00 H new ATOM 418 N GLY A 31 14.450 -4.463 -2.735 1.00 0.00 N ATOM 419 CA GLY A 31 15.025 -3.129 -2.777 1.00 0.00 C ATOM 420 C GLY A 31 16.523 -3.188 -3.085 1.00 0.00 C ATOM 421 O GLY A 31 17.338 -3.377 -2.183 1.00 0.00 O ATOM 0 H GLY A 31 14.199 -4.848 -3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.517 -2.534 -3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.866 -2.630 -1.821 1.00 0.00 H new ATOM 425 N SER A 32 16.840 -3.023 -4.361 1.00 0.00 N ATOM 426 CA SER A 32 18.225 -3.054 -4.798 1.00 0.00 C ATOM 427 C SER A 32 18.299 -2.883 -6.316 1.00 0.00 C ATOM 428 O SER A 32 17.312 -3.100 -7.018 1.00 0.00 O ATOM 429 CB SER A 32 18.905 -4.359 -4.378 1.00 0.00 C ATOM 430 OG SER A 32 20.106 -4.124 -3.647 1.00 0.00 O ATOM 0 H SER A 32 16.161 -2.867 -5.106 1.00 0.00 H new ATOM 0 HA SER A 32 18.753 -2.229 -4.320 1.00 0.00 H new ATOM 0 HB2 SER A 32 18.218 -4.946 -3.768 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.130 -4.952 -5.264 1.00 0.00 H new ATOM 0 HG SER A 32 20.509 -4.981 -3.396 1.00 0.00 H new ATOM 436 N GLU A 33 19.477 -2.493 -6.780 1.00 0.00 N ATOM 437 CA GLU A 33 19.692 -2.290 -8.202 1.00 0.00 C ATOM 438 C GLU A 33 19.911 -3.632 -8.903 1.00 0.00 C ATOM 439 O GLU A 33 20.973 -3.871 -9.476 1.00 0.00 O ATOM 440 CB GLU A 33 20.869 -1.344 -8.449 1.00 0.00 C ATOM 441 CG GLU A 33 20.393 -0.023 -9.056 1.00 0.00 C ATOM 442 CD GLU A 33 21.409 0.515 -10.065 1.00 0.00 C ATOM 443 OE1 GLU A 33 21.468 -0.061 -11.173 1.00 0.00 O ATOM 444 OE2 GLU A 33 22.105 1.489 -9.706 1.00 0.00 O ATOM 0 H GLU A 33 20.293 -2.312 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 33 18.800 -1.825 -8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 33 21.388 -1.151 -7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 33 21.587 -1.818 -9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 33 19.431 -0.170 -9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 33 20.238 0.710 -8.264 1.00 0.00 H new ATOM 451 N HIS A 34 18.889 -4.472 -8.836 1.00 0.00 N ATOM 452 CA HIS A 34 18.957 -5.784 -9.457 1.00 0.00 C ATOM 453 C HIS A 34 18.003 -5.836 -10.652 1.00 0.00 C ATOM 454 O HIS A 34 18.442 -5.938 -11.797 1.00 0.00 O ATOM 455 CB HIS A 34 18.682 -6.886 -8.431 1.00 0.00 C ATOM 456 CG HIS A 34 19.927 -7.472 -7.810 1.00 0.00 C ATOM 457 ND1 HIS A 34 20.282 -8.802 -7.953 1.00 0.00 N ATOM 458 CD2 HIS A 34 20.898 -6.895 -7.045 1.00 0.00 C ATOM 459 CE1 HIS A 34 21.415 -9.005 -7.298 1.00 0.00 C ATOM 460 NE2 HIS A 34 21.795 -7.822 -6.735 1.00 0.00 N ATOM 0 H HIS A 34 18.009 -4.270 -8.361 1.00 0.00 H new ATOM 0 HA HIS A 34 19.965 -5.961 -9.832 1.00 0.00 H new ATOM 0 HB2 HIS A 34 18.050 -6.482 -7.640 1.00 0.00 H new ATOM 0 HB3 HIS A 34 18.119 -7.685 -8.913 1.00 0.00 H new ATOM 0 HD2 HIS A 34 20.931 -5.859 -6.743 1.00 0.00 H new ATOM 0 HE1 HIS A 34 21.945 -9.943 -7.223 1.00 0.00 H new ATOM 0 HE2 HIS A 34 22.631 -7.675 -6.169 1.00 0.00 H new ATOM 468 N GLY A 35 16.716 -5.763 -10.345 1.00 0.00 N ATOM 469 CA GLY A 35 15.697 -5.800 -11.380 1.00 0.00 C ATOM 470 C GLY A 35 14.464 -6.573 -10.908 1.00 0.00 C ATOM 471 O GLY A 35 14.219 -7.692 -11.357 1.00 0.00 O ATOM 0 H GLY A 35 16.356 -5.678 -9.394 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.412 -4.783 -11.651 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.102 -6.267 -12.278 1.00 0.00 H new ATOM 475 N LEU A 36 13.721 -5.947 -10.008 1.00 0.00 N ATOM 476 CA LEU A 36 12.520 -6.562 -9.470 1.00 0.00 C ATOM 477 C LEU A 36 11.670 -5.494 -8.778 1.00 0.00 C ATOM 478 O LEU A 36 12.204 -4.533 -8.226 1.00 0.00 O ATOM 479 CB LEU A 36 12.881 -7.742 -8.565 1.00 0.00 C ATOM 480 CG LEU A 36 13.847 -7.436 -7.418 1.00 0.00 C ATOM 481 CD1 LEU A 36 13.147 -6.652 -6.307 1.00 0.00 C ATOM 482 CD2 LEU A 36 14.498 -8.718 -6.893 1.00 0.00 C ATOM 0 H LEU A 36 13.928 -5.019 -9.637 1.00 0.00 H new ATOM 0 HA LEU A 36 11.914 -6.980 -10.274 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.961 -8.144 -8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.318 -8.527 -9.182 1.00 0.00 H new ATOM 0 HG LEU A 36 14.647 -6.804 -7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.855 -6.447 -5.504 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.771 -5.711 -6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.315 -7.238 -5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.180 -8.473 -6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.726 -9.395 -6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.053 -9.200 -7.698 1.00 0.00 H new ATOM 494 N GLY A 37 10.362 -5.699 -8.830 1.00 0.00 N ATOM 495 CA GLY A 37 9.434 -4.765 -8.215 1.00 0.00 C ATOM 496 C GLY A 37 9.397 -4.949 -6.696 1.00 0.00 C ATOM 497 O GLY A 37 10.396 -5.331 -6.089 1.00 0.00 O ATOM 0 H GLY A 37 9.923 -6.498 -9.288 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.729 -3.743 -8.454 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.436 -4.914 -8.627 1.00 0.00 H new ATOM 501 N ILE A 38 8.234 -4.668 -6.126 1.00 0.00 N ATOM 502 CA ILE A 38 8.053 -4.798 -4.691 1.00 0.00 C ATOM 503 C ILE A 38 7.122 -5.978 -4.403 1.00 0.00 C ATOM 504 O ILE A 38 6.048 -6.083 -4.991 1.00 0.00 O ATOM 505 CB ILE A 38 7.575 -3.476 -4.089 1.00 0.00 C ATOM 506 CG1 ILE A 38 8.520 -2.331 -4.459 1.00 0.00 C ATOM 507 CG2 ILE A 38 7.386 -3.598 -2.576 1.00 0.00 C ATOM 508 CD1 ILE A 38 9.837 -2.436 -3.686 1.00 0.00 C ATOM 0 H ILE A 38 7.408 -4.351 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 38 9.004 -5.017 -4.206 1.00 0.00 H new ATOM 0 HB ILE A 38 6.601 -3.239 -4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.720 -2.352 -5.530 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.042 -1.376 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.046 -2.644 -2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.644 -4.367 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.334 -3.870 -2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.491 -1.610 -3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.635 -2.391 -2.616 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.324 -3.382 -3.924 1.00 0.00 H new ATOM 520 N PHE A 39 7.569 -6.836 -3.497 1.00 0.00 N ATOM 521 CA PHE A 39 6.789 -8.004 -3.124 1.00 0.00 C ATOM 522 C PHE A 39 6.478 -7.999 -1.626 1.00 0.00 C ATOM 523 O PHE A 39 7.332 -7.652 -0.812 1.00 0.00 O ATOM 524 CB PHE A 39 7.639 -9.233 -3.452 1.00 0.00 C ATOM 525 CG PHE A 39 8.062 -9.323 -4.920 1.00 0.00 C ATOM 526 CD1 PHE A 39 9.018 -8.485 -5.405 1.00 0.00 C ATOM 527 CD2 PHE A 39 7.483 -10.241 -5.739 1.00 0.00 C ATOM 528 CE1 PHE A 39 9.410 -8.569 -6.767 1.00 0.00 C ATOM 529 CE2 PHE A 39 7.876 -10.324 -7.101 1.00 0.00 C ATOM 530 CZ PHE A 39 8.831 -9.487 -7.586 1.00 0.00 C ATOM 0 H PHE A 39 8.461 -6.746 -3.011 1.00 0.00 H new ATOM 0 HA PHE A 39 5.843 -8.008 -3.665 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.532 -9.222 -2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.078 -10.130 -3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.478 -7.756 -4.754 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.725 -10.907 -5.354 1.00 0.00 H new ATOM 0 HE1 PHE A 39 10.168 -7.904 -7.153 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.416 -11.053 -7.752 1.00 0.00 H new ATOM 0 HZ PHE A 39 9.130 -9.551 -8.622 1.00 0.00 H new ATOM 540 N VAL A 40 5.252 -8.387 -1.308 1.00 0.00 N ATOM 541 CA VAL A 40 4.817 -8.433 0.078 1.00 0.00 C ATOM 542 C VAL A 40 5.464 -9.632 0.772 1.00 0.00 C ATOM 543 O VAL A 40 5.628 -10.691 0.167 1.00 0.00 O ATOM 544 CB VAL A 40 3.288 -8.456 0.146 1.00 0.00 C ATOM 545 CG1 VAL A 40 2.798 -8.144 1.561 1.00 0.00 C ATOM 546 CG2 VAL A 40 2.679 -7.488 -0.871 1.00 0.00 C ATOM 0 H VAL A 40 4.546 -8.673 -1.986 1.00 0.00 H new ATOM 0 HA VAL A 40 5.140 -7.538 0.609 1.00 0.00 H new ATOM 0 HB VAL A 40 2.956 -9.462 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.708 -8.167 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.190 -8.888 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.146 -7.154 1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.592 -7.524 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.023 -6.475 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.988 -7.774 -1.876 1.00 0.00 H new ATOM 556 N SER A 41 5.816 -9.426 2.033 1.00 0.00 N ATOM 557 CA SER A 41 6.442 -10.478 2.817 1.00 0.00 C ATOM 558 C SER A 41 5.585 -10.797 4.043 1.00 0.00 C ATOM 559 O SER A 41 5.440 -11.960 4.418 1.00 0.00 O ATOM 560 CB SER A 41 7.855 -10.078 3.246 1.00 0.00 C ATOM 561 OG SER A 41 7.949 -9.878 4.654 1.00 0.00 O ATOM 0 H SER A 41 5.680 -8.546 2.531 1.00 0.00 H new ATOM 0 HA SER A 41 6.519 -11.369 2.194 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.559 -10.853 2.942 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.145 -9.163 2.730 1.00 0.00 H new ATOM 0 HG SER A 41 8.867 -9.626 4.888 1.00 0.00 H new ATOM 567 N LYS A 42 5.039 -9.745 4.635 1.00 0.00 N ATOM 568 CA LYS A 42 4.200 -9.899 5.811 1.00 0.00 C ATOM 569 C LYS A 42 3.176 -8.764 5.854 1.00 0.00 C ATOM 570 O LYS A 42 3.276 -7.803 5.092 1.00 0.00 O ATOM 571 CB LYS A 42 5.060 -9.999 7.073 1.00 0.00 C ATOM 572 CG LYS A 42 4.429 -10.950 8.092 1.00 0.00 C ATOM 573 CD LYS A 42 3.875 -10.178 9.291 1.00 0.00 C ATOM 574 CE LYS A 42 2.686 -10.913 9.914 1.00 0.00 C ATOM 575 NZ LYS A 42 3.155 -12.014 10.785 1.00 0.00 N ATOM 0 H LYS A 42 5.161 -8.782 4.322 1.00 0.00 H new ATOM 0 HA LYS A 42 3.640 -10.833 5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.058 -10.351 6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.177 -9.010 7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.628 -11.517 7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.173 -11.671 8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.658 -10.048 10.038 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.566 -9.181 8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.083 -10.215 10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.045 -11.311 9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.335 -12.502 11.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.712 -12.689 10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.748 -11.626 11.546 1.00 0.00 H new ATOM 589 N VAL A 43 2.214 -8.911 6.753 1.00 0.00 N ATOM 590 CA VAL A 43 1.172 -7.910 6.905 1.00 0.00 C ATOM 591 C VAL A 43 0.749 -7.839 8.374 1.00 0.00 C ATOM 592 O VAL A 43 0.379 -8.851 8.966 1.00 0.00 O ATOM 593 CB VAL A 43 0.007 -8.219 5.962 1.00 0.00 C ATOM 594 CG1 VAL A 43 -1.170 -7.275 6.216 1.00 0.00 C ATOM 595 CG2 VAL A 43 0.454 -8.159 4.500 1.00 0.00 C ATOM 0 H VAL A 43 2.134 -9.709 7.384 1.00 0.00 H new ATOM 0 HA VAL A 43 1.546 -6.925 6.626 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.330 -9.235 6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.984 -7.516 5.533 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.513 -7.390 7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.852 -6.245 6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.393 -8.382 3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.830 -7.161 4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.244 -8.891 4.331 1.00 0.00 H new ATOM 605 N GLU A 44 0.820 -6.633 8.919 1.00 0.00 N ATOM 606 CA GLU A 44 0.449 -6.417 10.307 1.00 0.00 C ATOM 607 C GLU A 44 -0.893 -7.085 10.608 1.00 0.00 C ATOM 608 O GLU A 44 -1.541 -7.620 9.709 1.00 0.00 O ATOM 609 CB GLU A 44 0.404 -4.923 10.636 1.00 0.00 C ATOM 610 CG GLU A 44 1.210 -4.615 11.900 1.00 0.00 C ATOM 611 CD GLU A 44 0.288 -4.441 13.109 1.00 0.00 C ATOM 612 OE1 GLU A 44 -0.579 -3.545 13.036 1.00 0.00 O ATOM 613 OE2 GLU A 44 0.473 -5.209 14.078 1.00 0.00 O ATOM 0 H GLU A 44 1.129 -5.796 8.425 1.00 0.00 H new ATOM 0 HA GLU A 44 1.209 -6.873 10.941 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.802 -4.350 9.798 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.630 -4.608 10.774 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.917 -5.422 12.091 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.795 -3.708 11.751 1.00 0.00 H new ATOM 620 N GLU A 45 -1.272 -7.034 11.877 1.00 0.00 N ATOM 621 CA GLU A 45 -2.526 -7.628 12.308 1.00 0.00 C ATOM 622 C GLU A 45 -3.613 -6.555 12.415 1.00 0.00 C ATOM 623 O GLU A 45 -3.368 -5.469 12.938 1.00 0.00 O ATOM 624 CB GLU A 45 -2.354 -8.368 13.636 1.00 0.00 C ATOM 625 CG GLU A 45 -1.814 -9.782 13.409 1.00 0.00 C ATOM 626 CD GLU A 45 -0.645 -10.080 14.351 1.00 0.00 C ATOM 627 OE1 GLU A 45 -0.930 -10.402 15.524 1.00 0.00 O ATOM 628 OE2 GLU A 45 0.507 -9.978 13.876 1.00 0.00 O ATOM 0 H GLU A 45 -0.732 -6.590 12.620 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.836 -8.358 11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.672 -7.813 14.280 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.311 -8.419 14.155 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.610 -10.509 13.570 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.488 -9.889 12.374 1.00 0.00 H new ATOM 635 N GLY A 46 -4.789 -6.898 11.912 1.00 0.00 N ATOM 636 CA GLY A 46 -5.914 -5.979 11.945 1.00 0.00 C ATOM 637 C GLY A 46 -5.453 -4.540 11.698 1.00 0.00 C ATOM 638 O GLY A 46 -5.868 -3.622 12.405 1.00 0.00 O ATOM 0 H GLY A 46 -4.988 -7.800 11.479 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.645 -6.266 11.189 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.413 -6.044 12.912 1.00 0.00 H new ATOM 642 N SER A 47 -4.602 -4.389 10.694 1.00 0.00 N ATOM 643 CA SER A 47 -4.081 -3.079 10.345 1.00 0.00 C ATOM 644 C SER A 47 -4.684 -2.612 9.019 1.00 0.00 C ATOM 645 O SER A 47 -5.512 -3.306 8.431 1.00 0.00 O ATOM 646 CB SER A 47 -2.554 -3.099 10.257 1.00 0.00 C ATOM 647 OG SER A 47 -2.089 -3.999 9.254 1.00 0.00 O ATOM 0 H SER A 47 -4.260 -5.153 10.111 1.00 0.00 H new ATOM 0 HA SER A 47 -4.363 -2.378 11.131 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.190 -2.095 10.040 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.139 -3.387 11.223 1.00 0.00 H new ATOM 0 HG SER A 47 -1.332 -3.597 8.779 1.00 0.00 H new ATOM 653 N SER A 48 -4.245 -1.439 8.587 1.00 0.00 N ATOM 654 CA SER A 48 -4.731 -0.871 7.341 1.00 0.00 C ATOM 655 C SER A 48 -4.556 -1.879 6.203 1.00 0.00 C ATOM 656 O SER A 48 -5.474 -2.094 5.413 1.00 0.00 O ATOM 657 CB SER A 48 -4.005 0.435 7.010 1.00 0.00 C ATOM 658 OG SER A 48 -3.960 1.318 8.127 1.00 0.00 O ATOM 0 H SER A 48 -3.558 -0.866 9.078 1.00 0.00 H new ATOM 0 HA SER A 48 -5.791 -0.646 7.459 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.989 0.212 6.683 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.507 0.928 6.178 1.00 0.00 H new ATOM 0 HG SER A 48 -3.669 2.206 7.831 1.00 0.00 H new ATOM 664 N ALA A 49 -3.371 -2.469 6.156 1.00 0.00 N ATOM 665 CA ALA A 49 -3.063 -3.449 5.128 1.00 0.00 C ATOM 666 C ALA A 49 -4.040 -4.621 5.238 1.00 0.00 C ATOM 667 O ALA A 49 -4.905 -4.796 4.381 1.00 0.00 O ATOM 668 CB ALA A 49 -1.605 -3.891 5.263 1.00 0.00 C ATOM 0 H ALA A 49 -2.612 -2.287 6.813 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.180 -3.013 4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.375 -4.626 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.951 -3.027 5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.449 -4.336 6.246 1.00 0.00 H new ATOM 674 N GLU A 50 -3.870 -5.394 6.301 1.00 0.00 N ATOM 675 CA GLU A 50 -4.726 -6.544 6.534 1.00 0.00 C ATOM 676 C GLU A 50 -6.187 -6.183 6.259 1.00 0.00 C ATOM 677 O GLU A 50 -6.968 -7.028 5.824 1.00 0.00 O ATOM 678 CB GLU A 50 -4.552 -7.078 7.957 1.00 0.00 C ATOM 679 CG GLU A 50 -4.481 -8.606 7.965 1.00 0.00 C ATOM 680 CD GLU A 50 -5.631 -9.204 8.778 1.00 0.00 C ATOM 681 OE1 GLU A 50 -6.693 -9.446 8.165 1.00 0.00 O ATOM 682 OE2 GLU A 50 -5.422 -9.406 9.994 1.00 0.00 O ATOM 0 H GLU A 50 -3.152 -5.246 7.010 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.432 -7.336 5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.643 -6.666 8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.384 -6.746 8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.521 -8.981 6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.528 -8.927 8.386 1.00 0.00 H new ATOM 689 N ARG A 51 -6.513 -4.927 6.524 1.00 0.00 N ATOM 690 CA ARG A 51 -7.867 -4.443 6.311 1.00 0.00 C ATOM 691 C ARG A 51 -8.095 -4.142 4.828 1.00 0.00 C ATOM 692 O ARG A 51 -9.168 -4.418 4.294 1.00 0.00 O ATOM 693 CB ARG A 51 -8.135 -3.178 7.128 1.00 0.00 C ATOM 694 CG ARG A 51 -8.542 -3.527 8.561 1.00 0.00 C ATOM 695 CD ARG A 51 -9.371 -2.403 9.185 1.00 0.00 C ATOM 696 NE ARG A 51 -10.481 -2.974 9.981 1.00 0.00 N ATOM 697 CZ ARG A 51 -11.502 -3.665 9.458 1.00 0.00 C ATOM 698 NH1 ARG A 51 -11.562 -3.875 8.136 1.00 0.00 N ATOM 699 NH2 ARG A 51 -12.465 -4.146 10.257 1.00 0.00 N ATOM 0 H ARG A 51 -5.863 -4.229 6.885 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.554 -5.224 6.637 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.242 -2.554 7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.924 -2.595 6.654 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.117 -4.453 8.564 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.651 -3.704 9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.738 -1.783 9.820 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.769 -1.756 8.403 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.467 -2.832 10.991 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.830 -3.509 7.528 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.340 -4.401 7.738 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.420 -3.986 11.263 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.243 -4.672 9.859 1.00 0.00 H new ATOM 713 N ALA A 52 -7.069 -3.581 4.206 1.00 0.00 N ATOM 714 CA ALA A 52 -7.144 -3.240 2.796 1.00 0.00 C ATOM 715 C ALA A 52 -7.306 -4.520 1.974 1.00 0.00 C ATOM 716 O ALA A 52 -7.838 -4.487 0.865 1.00 0.00 O ATOM 717 CB ALA A 52 -5.901 -2.443 2.396 1.00 0.00 C ATOM 0 H ALA A 52 -6.181 -3.354 4.653 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.012 -2.610 2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.958 -2.187 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.849 -1.529 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.010 -3.044 2.577 1.00 0.00 H new ATOM 723 N GLY A 53 -6.837 -5.617 2.548 1.00 0.00 N ATOM 724 CA GLY A 53 -6.923 -6.906 1.883 1.00 0.00 C ATOM 725 C GLY A 53 -5.546 -7.368 1.402 1.00 0.00 C ATOM 726 O GLY A 53 -5.434 -8.369 0.696 1.00 0.00 O ATOM 0 H GLY A 53 -6.396 -5.640 3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.340 -7.645 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.604 -6.837 1.035 1.00 0.00 H new ATOM 730 N LEU A 54 -4.531 -6.617 1.805 1.00 0.00 N ATOM 731 CA LEU A 54 -3.166 -6.937 1.424 1.00 0.00 C ATOM 732 C LEU A 54 -2.615 -8.006 2.370 1.00 0.00 C ATOM 733 O LEU A 54 -2.622 -7.826 3.587 1.00 0.00 O ATOM 734 CB LEU A 54 -2.314 -5.667 1.368 1.00 0.00 C ATOM 735 CG LEU A 54 -0.912 -5.826 0.776 1.00 0.00 C ATOM 736 CD1 LEU A 54 -0.976 -6.046 -0.736 1.00 0.00 C ATOM 737 CD2 LEU A 54 -0.023 -4.637 1.146 1.00 0.00 C ATOM 0 H LEU A 54 -4.627 -5.788 2.391 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.139 -7.356 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.851 -4.919 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.217 -5.273 2.380 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.457 -6.716 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.034 -6.156 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.549 -6.949 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.459 -5.190 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.968 -4.775 0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.464 -3.719 0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.061 -4.569 2.231 1.00 0.00 H new ATOM 749 N CYS A 55 -2.150 -9.094 1.775 1.00 0.00 N ATOM 750 CA CYS A 55 -1.596 -10.192 2.550 1.00 0.00 C ATOM 751 C CYS A 55 -0.350 -10.709 1.827 1.00 0.00 C ATOM 752 O CYS A 55 -0.326 -10.783 0.600 1.00 0.00 O ATOM 753 CB CYS A 55 -2.626 -11.301 2.776 1.00 0.00 C ATOM 754 SG CYS A 55 -3.615 -11.555 1.257 1.00 0.00 S ATOM 0 H CYS A 55 -2.145 -9.239 0.765 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.318 -9.837 3.542 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.121 -12.227 3.050 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.281 -11.037 3.606 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.485 -12.500 1.458 1.00 0.00 H new ATOM 760 N VAL A 56 0.654 -11.053 2.620 1.00 0.00 N ATOM 761 CA VAL A 56 1.900 -11.560 2.072 1.00 0.00 C ATOM 762 C VAL A 56 1.591 -12.596 0.988 1.00 0.00 C ATOM 763 O VAL A 56 0.603 -13.322 1.082 1.00 0.00 O ATOM 764 CB VAL A 56 2.779 -12.114 3.195 1.00 0.00 C ATOM 765 CG1 VAL A 56 1.938 -12.870 4.227 1.00 0.00 C ATOM 766 CG2 VAL A 56 3.889 -13.005 2.634 1.00 0.00 C ATOM 0 H VAL A 56 0.630 -10.990 3.638 1.00 0.00 H new ATOM 0 HA VAL A 56 2.466 -10.756 1.602 1.00 0.00 H new ATOM 0 HB VAL A 56 3.250 -11.270 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.587 -13.254 5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.201 -12.194 4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.427 -13.701 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.499 -13.386 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.446 -13.841 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.514 -12.424 1.956 1.00 0.00 H new ATOM 776 N GLY A 57 2.456 -12.631 -0.015 1.00 0.00 N ATOM 777 CA GLY A 57 2.287 -13.565 -1.115 1.00 0.00 C ATOM 778 C GLY A 57 1.943 -12.829 -2.412 1.00 0.00 C ATOM 779 O GLY A 57 1.962 -13.421 -3.490 1.00 0.00 O ATOM 0 H GLY A 57 3.275 -12.028 -0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.202 -14.141 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.496 -14.275 -0.875 1.00 0.00 H new ATOM 783 N ASP A 58 1.635 -11.549 -2.264 1.00 0.00 N ATOM 784 CA ASP A 58 1.287 -10.726 -3.410 1.00 0.00 C ATOM 785 C ASP A 58 2.498 -9.884 -3.815 1.00 0.00 C ATOM 786 O ASP A 58 3.444 -9.739 -3.042 1.00 0.00 O ATOM 787 CB ASP A 58 0.139 -9.772 -3.074 1.00 0.00 C ATOM 788 CG ASP A 58 -1.142 -9.991 -3.882 1.00 0.00 C ATOM 789 OD1 ASP A 58 -1.043 -10.664 -4.931 1.00 0.00 O ATOM 790 OD2 ASP A 58 -2.190 -9.479 -3.434 1.00 0.00 O ATOM 0 H ASP A 58 1.619 -11.062 -1.368 1.00 0.00 H new ATOM 0 HA ASP A 58 0.981 -11.388 -4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.097 -9.870 -2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.479 -8.749 -3.231 1.00 0.00 H new ATOM 795 N LYS A 59 2.430 -9.352 -5.026 1.00 0.00 N ATOM 796 CA LYS A 59 3.509 -8.528 -5.544 1.00 0.00 C ATOM 797 C LYS A 59 2.930 -7.226 -6.101 1.00 0.00 C ATOM 798 O LYS A 59 2.179 -7.244 -7.075 1.00 0.00 O ATOM 799 CB LYS A 59 4.344 -9.313 -6.557 1.00 0.00 C ATOM 800 CG LYS A 59 5.320 -8.394 -7.294 1.00 0.00 C ATOM 801 CD LYS A 59 5.261 -8.629 -8.805 1.00 0.00 C ATOM 802 CE LYS A 59 6.118 -7.606 -9.553 1.00 0.00 C ATOM 803 NZ LYS A 59 6.170 -7.930 -10.996 1.00 0.00 N ATOM 0 H LYS A 59 1.644 -9.475 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 59 4.196 -8.254 -4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.897 -10.101 -6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.686 -9.801 -7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.081 -7.353 -7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.334 -8.571 -6.934 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.609 -9.636 -9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.228 -8.563 -9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.706 -6.606 -9.413 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.127 -7.596 -9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.756 -7.226 -11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.583 -8.876 -11.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.208 -7.916 -11.390 1.00 0.00 H new ATOM 817 N ILE A 60 3.301 -6.128 -5.460 1.00 0.00 N ATOM 818 CA ILE A 60 2.827 -4.820 -5.879 1.00 0.00 C ATOM 819 C ILE A 60 3.504 -4.436 -7.196 1.00 0.00 C ATOM 820 O ILE A 60 4.717 -4.235 -7.240 1.00 0.00 O ATOM 821 CB ILE A 60 3.028 -3.794 -4.762 1.00 0.00 C ATOM 822 CG1 ILE A 60 2.373 -4.264 -3.462 1.00 0.00 C ATOM 823 CG2 ILE A 60 2.527 -2.413 -5.190 1.00 0.00 C ATOM 824 CD1 ILE A 60 3.221 -3.875 -2.249 1.00 0.00 C ATOM 0 H ILE A 60 3.925 -6.117 -4.653 1.00 0.00 H new ATOM 0 HA ILE A 60 1.754 -4.846 -6.067 1.00 0.00 H new ATOM 0 HB ILE A 60 4.097 -3.703 -4.569 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.380 -3.825 -3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.242 -5.346 -3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.681 -1.702 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.078 -2.083 -6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.464 -2.469 -5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.733 -4.221 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.206 -4.336 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.329 -2.791 -2.213 1.00 0.00 H new ATOM 836 N THR A 61 2.691 -4.345 -8.238 1.00 0.00 N ATOM 837 CA THR A 61 3.196 -3.988 -9.553 1.00 0.00 C ATOM 838 C THR A 61 3.049 -2.484 -9.791 1.00 0.00 C ATOM 839 O THR A 61 3.746 -1.913 -10.628 1.00 0.00 O ATOM 840 CB THR A 61 2.462 -4.841 -10.589 1.00 0.00 C ATOM 841 OG1 THR A 61 1.091 -4.494 -10.417 1.00 0.00 O ATOM 842 CG2 THR A 61 2.512 -6.335 -10.259 1.00 0.00 C ATOM 0 H THR A 61 1.686 -4.512 -8.198 1.00 0.00 H new ATOM 0 HA THR A 61 4.263 -4.196 -9.636 1.00 0.00 H new ATOM 0 HB THR A 61 2.899 -4.671 -11.573 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.737 -4.943 -9.621 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.976 -6.895 -11.025 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.550 -6.666 -10.227 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.045 -6.509 -9.290 1.00 0.00 H new ATOM 850 N GLU A 62 2.137 -1.885 -9.039 1.00 0.00 N ATOM 851 CA GLU A 62 1.890 -0.458 -9.157 1.00 0.00 C ATOM 852 C GLU A 62 1.075 0.041 -7.962 1.00 0.00 C ATOM 853 O GLU A 62 0.421 -0.747 -7.280 1.00 0.00 O ATOM 854 CB GLU A 62 1.186 -0.131 -10.476 1.00 0.00 C ATOM 855 CG GLU A 62 0.711 1.324 -10.498 1.00 0.00 C ATOM 856 CD GLU A 62 0.153 1.697 -11.872 1.00 0.00 C ATOM 857 OE1 GLU A 62 0.980 1.873 -12.792 1.00 0.00 O ATOM 858 OE2 GLU A 62 -1.089 1.798 -11.972 1.00 0.00 O ATOM 0 H GLU A 62 1.560 -2.362 -8.346 1.00 0.00 H new ATOM 0 HA GLU A 62 2.850 0.058 -9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.866 -0.308 -11.309 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.334 -0.797 -10.613 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.056 1.472 -9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.540 1.985 -10.247 1.00 0.00 H new ATOM 865 N VAL A 63 1.142 1.346 -7.744 1.00 0.00 N ATOM 866 CA VAL A 63 0.418 1.959 -6.643 1.00 0.00 C ATOM 867 C VAL A 63 0.187 3.439 -6.952 1.00 0.00 C ATOM 868 O VAL A 63 1.066 4.109 -7.491 1.00 0.00 O ATOM 869 CB VAL A 63 1.172 1.732 -5.331 1.00 0.00 C ATOM 870 CG1 VAL A 63 2.674 1.959 -5.515 1.00 0.00 C ATOM 871 CG2 VAL A 63 0.615 2.622 -4.218 1.00 0.00 C ATOM 0 H VAL A 63 1.686 1.996 -8.311 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.561 1.495 -6.524 1.00 0.00 H new ATOM 0 HB VAL A 63 1.024 0.693 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.186 1.791 -4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.058 1.265 -6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.849 2.983 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.168 2.441 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.718 3.669 -4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.438 2.391 -4.060 1.00 0.00 H new ATOM 881 N ASN A 64 -1.001 3.907 -6.596 1.00 0.00 N ATOM 882 CA ASN A 64 -1.358 5.296 -6.828 1.00 0.00 C ATOM 883 C ASN A 64 -1.010 5.674 -8.269 1.00 0.00 C ATOM 884 O ASN A 64 -0.795 6.846 -8.573 1.00 0.00 O ATOM 885 CB ASN A 64 -0.584 6.227 -5.895 1.00 0.00 C ATOM 886 CG ASN A 64 -1.514 7.259 -5.253 1.00 0.00 C ATOM 887 OD1 ASN A 64 -2.165 8.046 -5.921 1.00 0.00 O ATOM 888 ND2 ASN A 64 -1.540 7.211 -3.924 1.00 0.00 N ATOM 0 H ASN A 64 -1.728 3.349 -6.149 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.426 5.405 -6.641 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.093 5.642 -5.118 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.201 6.737 -6.454 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.130 7.858 -3.402 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.970 6.527 -3.427 1.00 0.00 H new ATOM 895 N GLY A 65 -0.964 4.658 -9.119 1.00 0.00 N ATOM 896 CA GLY A 65 -0.645 4.869 -10.521 1.00 0.00 C ATOM 897 C GLY A 65 0.852 4.682 -10.777 1.00 0.00 C ATOM 898 O GLY A 65 1.246 4.157 -11.817 1.00 0.00 O ATOM 0 H GLY A 65 -1.142 3.687 -8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.213 4.171 -11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.946 5.873 -10.819 1.00 0.00 H new ATOM 902 N LEU A 66 1.644 5.122 -9.811 1.00 0.00 N ATOM 903 CA LEU A 66 3.089 5.010 -9.918 1.00 0.00 C ATOM 904 C LEU A 66 3.482 3.531 -9.930 1.00 0.00 C ATOM 905 O LEU A 66 3.176 2.797 -8.992 1.00 0.00 O ATOM 906 CB LEU A 66 3.773 5.819 -8.814 1.00 0.00 C ATOM 907 CG LEU A 66 3.941 7.315 -9.086 1.00 0.00 C ATOM 908 CD1 LEU A 66 5.328 7.616 -9.659 1.00 0.00 C ATOM 909 CD2 LEU A 66 2.823 7.838 -9.990 1.00 0.00 C ATOM 0 H LEU A 66 1.313 5.557 -8.950 1.00 0.00 H new ATOM 0 HA LEU A 66 3.436 5.440 -10.858 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.200 5.699 -7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.758 5.390 -8.634 1.00 0.00 H new ATOM 0 HG LEU A 66 3.862 7.845 -8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.421 8.686 -9.843 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.092 7.303 -8.947 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.460 7.074 -10.595 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.967 8.904 -10.167 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.845 7.306 -10.941 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.859 7.677 -9.507 1.00 0.00 H new ATOM 921 N SER A 67 4.154 3.139 -11.002 1.00 0.00 N ATOM 922 CA SER A 67 4.591 1.761 -11.148 1.00 0.00 C ATOM 923 C SER A 67 5.858 1.525 -10.324 1.00 0.00 C ATOM 924 O SER A 67 6.764 2.357 -10.318 1.00 0.00 O ATOM 925 CB SER A 67 4.842 1.416 -12.618 1.00 0.00 C ATOM 926 OG SER A 67 5.082 2.578 -13.406 1.00 0.00 O ATOM 0 H SER A 67 4.407 3.751 -11.778 1.00 0.00 H new ATOM 0 HA SER A 67 3.799 1.109 -10.780 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.698 0.745 -12.692 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.981 0.879 -13.016 1.00 0.00 H new ATOM 0 HG SER A 67 5.239 2.315 -14.337 1.00 0.00 H new ATOM 932 N LEU A 68 5.882 0.385 -9.648 1.00 0.00 N ATOM 933 CA LEU A 68 7.023 0.028 -8.822 1.00 0.00 C ATOM 934 C LEU A 68 7.800 -1.105 -9.496 1.00 0.00 C ATOM 935 O LEU A 68 8.602 -1.780 -8.852 1.00 0.00 O ATOM 936 CB LEU A 68 6.572 -0.298 -7.397 1.00 0.00 C ATOM 937 CG LEU A 68 5.576 0.679 -6.769 1.00 0.00 C ATOM 938 CD1 LEU A 68 5.040 0.138 -5.442 1.00 0.00 C ATOM 939 CD2 LEU A 68 6.196 2.069 -6.613 1.00 0.00 C ATOM 0 H LEU A 68 5.129 -0.303 -9.656 1.00 0.00 H new ATOM 0 HA LEU A 68 7.706 0.873 -8.730 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.125 -1.292 -7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.455 -0.346 -6.760 1.00 0.00 H new ATOM 0 HG LEU A 68 4.725 0.780 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.334 0.852 -5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.536 -0.813 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.868 -0.011 -4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.467 2.744 -6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.075 2.005 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.488 2.449 -7.592 1.00 0.00 H new ATOM 951 N GLU A 69 7.536 -1.277 -10.783 1.00 0.00 N ATOM 952 CA GLU A 69 8.201 -2.317 -11.550 1.00 0.00 C ATOM 953 C GLU A 69 9.675 -1.964 -11.756 1.00 0.00 C ATOM 954 O GLU A 69 10.556 -2.777 -11.482 1.00 0.00 O ATOM 955 CB GLU A 69 7.498 -2.543 -12.890 1.00 0.00 C ATOM 956 CG GLU A 69 6.892 -3.946 -12.962 1.00 0.00 C ATOM 957 CD GLU A 69 7.822 -4.908 -13.705 1.00 0.00 C ATOM 958 OE1 GLU A 69 8.907 -5.189 -13.152 1.00 0.00 O ATOM 959 OE2 GLU A 69 7.426 -5.340 -14.809 1.00 0.00 O ATOM 0 H GLU A 69 6.871 -0.714 -11.314 1.00 0.00 H new ATOM 0 HA GLU A 69 8.147 -3.249 -10.987 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.714 -1.797 -13.024 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.209 -2.408 -13.705 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.708 -4.318 -11.954 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.927 -3.904 -13.468 1.00 0.00 H new ATOM 966 N SER A 70 9.898 -0.750 -12.238 1.00 0.00 N ATOM 967 CA SER A 70 11.250 -0.279 -12.484 1.00 0.00 C ATOM 968 C SER A 70 11.577 0.887 -11.549 1.00 0.00 C ATOM 969 O SER A 70 12.031 1.938 -11.997 1.00 0.00 O ATOM 970 CB SER A 70 11.429 0.145 -13.944 1.00 0.00 C ATOM 971 OG SER A 70 11.451 -0.974 -14.826 1.00 0.00 O ATOM 0 H SER A 70 9.165 -0.078 -12.465 1.00 0.00 H new ATOM 0 HA SER A 70 11.939 -1.100 -12.285 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.618 0.815 -14.229 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.358 0.706 -14.047 1.00 0.00 H new ATOM 0 HG SER A 70 11.565 -0.662 -15.748 1.00 0.00 H new ATOM 977 N THR A 71 11.334 0.661 -10.266 1.00 0.00 N ATOM 978 CA THR A 71 11.597 1.679 -9.264 1.00 0.00 C ATOM 979 C THR A 71 12.176 1.045 -7.998 1.00 0.00 C ATOM 980 O THR A 71 11.905 -0.118 -7.702 1.00 0.00 O ATOM 981 CB THR A 71 10.296 2.447 -9.018 1.00 0.00 C ATOM 982 OG1 THR A 71 10.382 3.566 -9.898 1.00 0.00 O ATOM 983 CG2 THR A 71 10.241 3.074 -7.624 1.00 0.00 C ATOM 0 H THR A 71 10.958 -0.213 -9.898 1.00 0.00 H new ATOM 0 HA THR A 71 12.350 2.387 -9.609 1.00 0.00 H new ATOM 0 HB THR A 71 9.448 1.775 -9.148 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.929 3.329 -10.676 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.298 3.607 -7.502 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.316 2.291 -6.870 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.070 3.772 -7.506 1.00 0.00 H new ATOM 991 N THR A 72 12.964 1.837 -7.285 1.00 0.00 N ATOM 992 CA THR A 72 13.584 1.367 -6.058 1.00 0.00 C ATOM 993 C THR A 72 12.555 1.314 -4.927 1.00 0.00 C ATOM 994 O THR A 72 11.491 1.924 -5.021 1.00 0.00 O ATOM 995 CB THR A 72 14.775 2.277 -5.753 1.00 0.00 C ATOM 996 OG1 THR A 72 15.443 1.624 -4.675 1.00 0.00 O ATOM 997 CG2 THR A 72 14.349 3.624 -5.166 1.00 0.00 C ATOM 0 H THR A 72 13.187 2.801 -7.534 1.00 0.00 H new ATOM 0 HA THR A 72 13.954 0.347 -6.167 1.00 0.00 H new ATOM 0 HB THR A 72 15.347 2.444 -6.666 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.230 2.146 -4.414 1.00 0.00 H new ATOM 0 HG21 THR A 72 15.233 4.231 -4.968 1.00 0.00 H new ATOM 0 HG22 THR A 72 13.704 4.143 -5.876 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.806 3.460 -4.235 1.00 0.00 H new ATOM 1005 N MET A 73 12.907 0.578 -3.883 1.00 0.00 N ATOM 1006 CA MET A 73 12.028 0.437 -2.736 1.00 0.00 C ATOM 1007 C MET A 73 11.666 1.803 -2.151 1.00 0.00 C ATOM 1008 O MET A 73 10.489 2.147 -2.048 1.00 0.00 O ATOM 1009 CB MET A 73 12.718 -0.411 -1.665 1.00 0.00 C ATOM 1010 CG MET A 73 11.734 -0.808 -0.562 1.00 0.00 C ATOM 1011 SD MET A 73 12.187 -2.395 0.117 1.00 0.00 S ATOM 1012 CE MET A 73 10.759 -3.355 -0.361 1.00 0.00 C ATOM 0 H MET A 73 13.790 0.073 -3.808 1.00 0.00 H new ATOM 0 HA MET A 73 11.110 -0.051 -3.063 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.139 -1.307 -2.121 1.00 0.00 H new ATOM 0 HB3 MET A 73 13.548 0.148 -1.233 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.733 -0.053 0.225 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.722 -0.851 -0.964 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.581 -4.136 0.379 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.886 -2.705 -0.419 1.00 0.00 H new ATOM 0 HE3 MET A 73 10.937 -3.812 -1.335 1.00 0.00 H new ATOM 1022 N GLY A 74 12.699 2.546 -1.783 1.00 0.00 N ATOM 1023 CA GLY A 74 12.505 3.868 -1.211 1.00 0.00 C ATOM 1024 C GLY A 74 11.349 4.598 -1.899 1.00 0.00 C ATOM 1025 O GLY A 74 10.307 4.831 -1.289 1.00 0.00 O ATOM 0 H GLY A 74 13.674 2.258 -1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.301 3.780 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.420 4.451 -1.314 1.00 0.00 H new ATOM 1029 N SER A 75 11.573 4.939 -3.159 1.00 0.00 N ATOM 1030 CA SER A 75 10.563 5.638 -3.936 1.00 0.00 C ATOM 1031 C SER A 75 9.176 5.081 -3.612 1.00 0.00 C ATOM 1032 O SER A 75 8.274 5.830 -3.240 1.00 0.00 O ATOM 1033 CB SER A 75 10.845 5.523 -5.435 1.00 0.00 C ATOM 1034 OG SER A 75 10.746 6.783 -6.095 1.00 0.00 O ATOM 0 H SER A 75 12.439 4.744 -3.662 1.00 0.00 H new ATOM 0 HA SER A 75 10.595 6.694 -3.668 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.843 5.112 -5.586 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.141 4.822 -5.884 1.00 0.00 H new ATOM 0 HG SER A 75 10.935 6.668 -7.050 1.00 0.00 H new ATOM 1040 N ALA A 76 9.048 3.771 -3.767 1.00 0.00 N ATOM 1041 CA ALA A 76 7.785 3.105 -3.495 1.00 0.00 C ATOM 1042 C ALA A 76 7.302 3.489 -2.095 1.00 0.00 C ATOM 1043 O ALA A 76 6.159 3.909 -1.923 1.00 0.00 O ATOM 1044 CB ALA A 76 7.960 1.594 -3.658 1.00 0.00 C ATOM 0 H ALA A 76 9.798 3.153 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 76 7.022 3.423 -4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.013 1.094 -3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.275 1.372 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.716 1.238 -2.959 1.00 0.00 H new ATOM 1050 N VAL A 77 8.197 3.330 -1.131 1.00 0.00 N ATOM 1051 CA VAL A 77 7.876 3.655 0.248 1.00 0.00 C ATOM 1052 C VAL A 77 7.485 5.131 0.343 1.00 0.00 C ATOM 1053 O VAL A 77 6.394 5.460 0.808 1.00 0.00 O ATOM 1054 CB VAL A 77 9.049 3.287 1.159 1.00 0.00 C ATOM 1055 CG1 VAL A 77 8.738 3.628 2.618 1.00 0.00 C ATOM 1056 CG2 VAL A 77 9.419 1.811 1.007 1.00 0.00 C ATOM 0 H VAL A 77 9.144 2.980 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 77 7.021 3.071 0.589 1.00 0.00 H new ATOM 0 HB VAL A 77 9.910 3.881 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.588 3.357 3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.547 4.697 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.857 3.073 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.255 1.576 1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.562 1.192 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.703 1.612 -0.026 1.00 0.00 H new ATOM 1066 N LYS A 78 8.396 5.981 -0.105 1.00 0.00 N ATOM 1067 CA LYS A 78 8.161 7.415 -0.077 1.00 0.00 C ATOM 1068 C LYS A 78 6.702 7.695 -0.443 1.00 0.00 C ATOM 1069 O LYS A 78 6.118 8.673 0.021 1.00 0.00 O ATOM 1070 CB LYS A 78 9.169 8.141 -0.970 1.00 0.00 C ATOM 1071 CG LYS A 78 9.985 9.154 -0.164 1.00 0.00 C ATOM 1072 CD LYS A 78 10.478 10.295 -1.056 1.00 0.00 C ATOM 1073 CE LYS A 78 11.249 11.335 -0.240 1.00 0.00 C ATOM 1074 NZ LYS A 78 11.214 12.652 -0.913 1.00 0.00 N ATOM 0 H LYS A 78 9.299 5.705 -0.490 1.00 0.00 H new ATOM 0 HA LYS A 78 8.320 7.808 0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.838 7.416 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.644 8.651 -1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.375 9.557 0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.837 8.655 0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.119 9.896 -1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.629 10.770 -1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.816 11.418 0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.282 11.013 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.742 13.346 -0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.648 12.572 -1.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.227 12.965 -1.012 1.00 0.00 H new ATOM 1088 N VAL A 79 6.154 6.818 -1.272 1.00 0.00 N ATOM 1089 CA VAL A 79 4.775 6.959 -1.706 1.00 0.00 C ATOM 1090 C VAL A 79 3.860 6.219 -0.728 1.00 0.00 C ATOM 1091 O VAL A 79 2.835 6.752 -0.307 1.00 0.00 O ATOM 1092 CB VAL A 79 4.627 6.472 -3.149 1.00 0.00 C ATOM 1093 CG1 VAL A 79 3.704 5.254 -3.224 1.00 0.00 C ATOM 1094 CG2 VAL A 79 4.128 7.596 -4.059 1.00 0.00 C ATOM 0 H VAL A 79 6.641 6.007 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 79 4.478 8.008 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 79 5.612 6.168 -3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.616 4.928 -4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.119 4.445 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.718 5.520 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.032 7.223 -5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.157 7.945 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.839 8.422 -4.041 1.00 0.00 H new ATOM 1104 N LEU A 80 4.263 5.001 -0.397 1.00 0.00 N ATOM 1105 CA LEU A 80 3.492 4.182 0.523 1.00 0.00 C ATOM 1106 C LEU A 80 3.380 4.902 1.869 1.00 0.00 C ATOM 1107 O LEU A 80 2.545 4.546 2.699 1.00 0.00 O ATOM 1108 CB LEU A 80 4.093 2.779 0.624 1.00 0.00 C ATOM 1109 CG LEU A 80 4.136 1.973 -0.676 1.00 0.00 C ATOM 1110 CD1 LEU A 80 5.201 0.877 -0.606 1.00 0.00 C ATOM 1111 CD2 LEU A 80 2.755 1.408 -1.017 1.00 0.00 C ATOM 0 H LEU A 80 5.113 4.562 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 80 2.477 4.043 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.110 2.867 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.523 2.213 1.361 1.00 0.00 H new ATOM 0 HG LEU A 80 4.418 2.646 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.211 0.319 -1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.179 1.330 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.973 0.200 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.813 0.840 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.420 0.754 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.046 2.227 -1.137 1.00 0.00 H new ATOM 1123 N THR A 81 4.234 5.900 2.042 1.00 0.00 N ATOM 1124 CA THR A 81 4.241 6.673 3.273 1.00 0.00 C ATOM 1125 C THR A 81 3.732 8.092 3.015 1.00 0.00 C ATOM 1126 O THR A 81 3.752 8.935 3.911 1.00 0.00 O ATOM 1127 CB THR A 81 5.658 6.630 3.849 1.00 0.00 C ATOM 1128 OG1 THR A 81 5.532 7.248 5.127 1.00 0.00 O ATOM 1129 CG2 THR A 81 6.626 7.539 3.089 1.00 0.00 C ATOM 0 H THR A 81 4.926 6.191 1.351 1.00 0.00 H new ATOM 0 HA THR A 81 3.561 6.248 4.011 1.00 0.00 H new ATOM 0 HB THR A 81 6.029 5.605 3.826 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.908 8.001 5.066 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.617 7.471 3.538 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.678 7.225 2.047 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.274 8.569 3.140 1.00 0.00 H new ATOM 1137 N SER A 82 3.289 8.313 1.786 1.00 0.00 N ATOM 1138 CA SER A 82 2.775 9.616 1.399 1.00 0.00 C ATOM 1139 C SER A 82 1.475 9.453 0.610 1.00 0.00 C ATOM 1140 O SER A 82 1.497 9.337 -0.614 1.00 0.00 O ATOM 1141 CB SER A 82 3.804 10.390 0.572 1.00 0.00 C ATOM 1142 OG SER A 82 3.548 11.791 0.576 1.00 0.00 O ATOM 0 H SER A 82 3.275 7.612 1.045 1.00 0.00 H new ATOM 0 HA SER A 82 2.573 10.187 2.305 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.802 10.203 0.968 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.794 10.023 -0.454 1.00 0.00 H new ATOM 0 HG SER A 82 4.228 12.249 0.039 1.00 0.00 H new ATOM 1148 N SER A 83 0.372 9.448 1.344 1.00 0.00 N ATOM 1149 CA SER A 83 -0.936 9.301 0.728 1.00 0.00 C ATOM 1150 C SER A 83 -1.951 8.814 1.765 1.00 0.00 C ATOM 1151 O SER A 83 -1.739 7.790 2.412 1.00 0.00 O ATOM 1152 CB SER A 83 -0.882 8.334 -0.456 1.00 0.00 C ATOM 1153 OG SER A 83 -0.738 9.018 -1.698 1.00 0.00 O ATOM 0 H SER A 83 0.357 9.543 2.359 1.00 0.00 H new ATOM 0 HA SER A 83 -1.248 10.275 0.352 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.048 7.644 -0.323 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.792 7.734 -0.476 1.00 0.00 H new ATOM 0 HG SER A 83 0.097 9.532 -1.694 1.00 0.00 H new ATOM 1159 N SER A 84 -3.031 9.571 1.890 1.00 0.00 N ATOM 1160 CA SER A 84 -4.078 9.230 2.837 1.00 0.00 C ATOM 1161 C SER A 84 -4.909 8.063 2.300 1.00 0.00 C ATOM 1162 O SER A 84 -5.776 7.540 2.999 1.00 0.00 O ATOM 1163 CB SER A 84 -4.977 10.435 3.122 1.00 0.00 C ATOM 1164 OG SER A 84 -6.011 10.571 2.151 1.00 0.00 O ATOM 0 H SER A 84 -3.203 10.420 1.351 1.00 0.00 H new ATOM 0 HA SER A 84 -3.608 8.932 3.774 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.421 10.330 4.112 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.373 11.342 3.138 1.00 0.00 H new ATOM 0 HG SER A 84 -6.564 11.350 2.369 1.00 0.00 H new ATOM 1170 N ARG A 85 -4.616 7.690 1.063 1.00 0.00 N ATOM 1171 CA ARG A 85 -5.325 6.594 0.424 1.00 0.00 C ATOM 1172 C ARG A 85 -4.494 6.023 -0.727 1.00 0.00 C ATOM 1173 O ARG A 85 -4.569 6.512 -1.854 1.00 0.00 O ATOM 1174 CB ARG A 85 -6.681 7.056 -0.115 1.00 0.00 C ATOM 1175 CG ARG A 85 -7.809 6.159 0.399 1.00 0.00 C ATOM 1176 CD ARG A 85 -8.834 6.970 1.194 1.00 0.00 C ATOM 1177 NE ARG A 85 -9.469 6.115 2.222 1.00 0.00 N ATOM 1178 CZ ARG A 85 -10.459 6.519 3.030 1.00 0.00 C ATOM 1179 NH1 ARG A 85 -10.934 7.768 2.933 1.00 0.00 N ATOM 1180 NH2 ARG A 85 -10.974 5.674 3.933 1.00 0.00 N ATOM 0 H ARG A 85 -3.897 8.127 0.486 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.489 5.822 1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.865 8.087 0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.668 7.041 -1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.300 5.669 -0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.394 5.372 1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.347 7.822 1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.593 7.370 0.522 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.132 5.158 2.322 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.542 8.411 2.245 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.687 8.076 3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.613 4.723 4.006 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.727 5.982 4.548 1.00 0.00 H new ATOM 1194 N LEU A 86 -3.721 4.997 -0.404 1.00 0.00 N ATOM 1195 CA LEU A 86 -2.877 4.355 -1.397 1.00 0.00 C ATOM 1196 C LEU A 86 -3.701 3.324 -2.171 1.00 0.00 C ATOM 1197 O LEU A 86 -4.558 2.653 -1.598 1.00 0.00 O ATOM 1198 CB LEU A 86 -1.624 3.772 -0.740 1.00 0.00 C ATOM 1199 CG LEU A 86 -0.589 4.788 -0.252 1.00 0.00 C ATOM 1200 CD1 LEU A 86 0.241 4.216 0.898 1.00 0.00 C ATOM 1201 CD2 LEU A 86 0.290 5.272 -1.407 1.00 0.00 C ATOM 0 H LEU A 86 -3.661 4.594 0.531 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.518 5.086 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.933 3.162 0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.141 3.105 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.120 5.657 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.969 4.958 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.416 3.961 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.763 3.321 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.017 5.993 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.814 4.423 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.334 5.745 -2.165 1.00 0.00 H new ATOM 1213 N HIS A 87 -3.412 3.230 -3.461 1.00 0.00 N ATOM 1214 CA HIS A 87 -4.116 2.291 -4.318 1.00 0.00 C ATOM 1215 C HIS A 87 -3.107 1.378 -5.017 1.00 0.00 C ATOM 1216 O HIS A 87 -2.638 1.686 -6.111 1.00 0.00 O ATOM 1217 CB HIS A 87 -5.025 3.031 -5.302 1.00 0.00 C ATOM 1218 CG HIS A 87 -6.499 2.792 -5.075 1.00 0.00 C ATOM 1219 ND1 HIS A 87 -7.429 3.816 -5.046 1.00 0.00 N ATOM 1220 CD2 HIS A 87 -7.192 1.635 -4.869 1.00 0.00 C ATOM 1221 CE1 HIS A 87 -8.625 3.288 -4.830 1.00 0.00 C ATOM 1222 NE2 HIS A 87 -8.476 1.937 -4.720 1.00 0.00 N ATOM 0 H HIS A 87 -2.701 3.788 -3.933 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.768 1.660 -3.714 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.826 4.100 -5.231 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.770 2.726 -6.317 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.768 0.642 -4.833 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.555 3.832 -4.754 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -9.228 1.268 -4.551 1.00 0.00 H new ATOM 1230 N MET A 88 -2.801 0.272 -4.355 1.00 0.00 N ATOM 1231 CA MET A 88 -1.856 -0.689 -4.898 1.00 0.00 C ATOM 1232 C MET A 88 -2.572 -1.746 -5.741 1.00 0.00 C ATOM 1233 O MET A 88 -3.676 -2.171 -5.404 1.00 0.00 O ATOM 1234 CB MET A 88 -1.107 -1.372 -3.752 1.00 0.00 C ATOM 1235 CG MET A 88 -0.553 -0.340 -2.767 1.00 0.00 C ATOM 1236 SD MET A 88 0.321 -1.165 -1.447 1.00 0.00 S ATOM 1237 CE MET A 88 -0.907 -1.067 -0.154 1.00 0.00 C ATOM 0 H MET A 88 -3.191 0.020 -3.447 1.00 0.00 H new ATOM 0 HA MET A 88 -1.152 -0.156 -5.538 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.778 -2.055 -3.230 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.290 -1.972 -4.153 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.117 0.346 -3.285 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.367 0.258 -2.357 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.411 -1.023 0.816 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.512 -0.171 -0.294 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.548 -1.947 -0.194 1.00 0.00 H new ATOM 1247 N MET A 89 -1.915 -2.139 -6.822 1.00 0.00 N ATOM 1248 CA MET A 89 -2.474 -3.138 -7.717 1.00 0.00 C ATOM 1249 C MET A 89 -1.501 -4.301 -7.918 1.00 0.00 C ATOM 1250 O MET A 89 -0.423 -4.122 -8.483 1.00 0.00 O ATOM 1251 CB MET A 89 -2.788 -2.494 -9.069 1.00 0.00 C ATOM 1252 CG MET A 89 -3.443 -1.124 -8.885 1.00 0.00 C ATOM 1253 SD MET A 89 -4.865 -1.265 -7.816 1.00 0.00 S ATOM 1254 CE MET A 89 -6.085 -1.819 -8.996 1.00 0.00 C ATOM 0 H MET A 89 -1.000 -1.783 -7.099 1.00 0.00 H new ATOM 0 HA MET A 89 -3.388 -3.528 -7.270 1.00 0.00 H new ATOM 0 HB2 MET A 89 -1.870 -2.387 -9.647 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.451 -3.144 -9.640 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.725 -0.423 -8.458 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.744 -0.723 -9.853 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.812 -2.457 -8.495 1.00 0.00 H new ATOM 0 HE2 MET A 89 -6.594 -0.956 -9.425 1.00 0.00 H new ATOM 0 HE3 MET A 89 -5.594 -2.382 -9.790 1.00 0.00 H new ATOM 1264 N VAL A 90 -1.916 -5.467 -7.445 1.00 0.00 N ATOM 1265 CA VAL A 90 -1.094 -6.659 -7.566 1.00 0.00 C ATOM 1266 C VAL A 90 -1.634 -7.533 -8.699 1.00 0.00 C ATOM 1267 O VAL A 90 -2.813 -7.453 -9.041 1.00 0.00 O ATOM 1268 CB VAL A 90 -1.032 -7.391 -6.223 1.00 0.00 C ATOM 1269 CG1 VAL A 90 -0.330 -6.537 -5.165 1.00 0.00 C ATOM 1270 CG2 VAL A 90 -2.431 -7.801 -5.758 1.00 0.00 C ATOM 0 H VAL A 90 -2.811 -5.612 -6.977 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.069 -6.391 -7.823 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.446 -8.299 -6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.299 -7.080 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.687 -6.318 -5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.877 -5.604 -5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.359 -8.319 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.051 -6.912 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.880 -8.464 -6.497 1.00 0.00 H new ATOM 1280 N ARG A 91 -0.746 -8.348 -9.250 1.00 0.00 N ATOM 1281 CA ARG A 91 -1.120 -9.236 -10.337 1.00 0.00 C ATOM 1282 C ARG A 91 -1.213 -10.679 -9.836 1.00 0.00 C ATOM 1283 O ARG A 91 -0.193 -11.325 -9.601 1.00 0.00 O ATOM 1284 CB ARG A 91 -0.104 -9.165 -11.480 1.00 0.00 C ATOM 1285 CG ARG A 91 -0.403 -7.985 -12.406 1.00 0.00 C ATOM 1286 CD ARG A 91 0.252 -8.182 -13.775 1.00 0.00 C ATOM 1287 NE ARG A 91 -0.080 -7.046 -14.664 1.00 0.00 N ATOM 1288 CZ ARG A 91 0.572 -5.876 -14.663 1.00 0.00 C ATOM 1289 NH1 ARG A 91 1.595 -5.680 -13.820 1.00 0.00 N ATOM 1290 NH2 ARG A 91 0.201 -4.901 -15.505 1.00 0.00 N ATOM 0 H ARG A 91 0.231 -8.412 -8.964 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.093 -8.914 -10.709 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.902 -9.066 -11.072 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.127 -10.094 -12.050 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.481 -7.877 -12.527 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.039 -7.062 -11.954 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.333 -8.262 -13.662 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.092 -9.116 -14.221 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.854 -7.161 -15.318 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.877 -6.422 -13.179 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.092 -4.789 -13.819 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.578 -5.050 -16.146 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.698 -4.010 -15.504 1.00 0.00 H new ATOM 1304 N ARG A 92 -2.446 -11.141 -9.688 1.00 0.00 N ATOM 1305 CA ARG A 92 -2.685 -12.496 -9.219 1.00 0.00 C ATOM 1306 C ARG A 92 -3.725 -13.187 -10.103 1.00 0.00 C ATOM 1307 O ARG A 92 -4.673 -12.554 -10.563 1.00 0.00 O ATOM 1308 CB ARG A 92 -3.175 -12.498 -7.769 1.00 0.00 C ATOM 1309 CG ARG A 92 -2.774 -13.791 -7.057 1.00 0.00 C ATOM 1310 CD ARG A 92 -1.456 -13.615 -6.300 1.00 0.00 C ATOM 1311 NE ARG A 92 -1.393 -14.563 -5.166 1.00 0.00 N ATOM 1312 CZ ARG A 92 -2.212 -14.521 -4.105 1.00 0.00 C ATOM 1313 NH1 ARG A 92 -3.160 -13.578 -4.028 1.00 0.00 N ATOM 1314 NH2 ARG A 92 -2.081 -15.422 -3.122 1.00 0.00 N ATOM 0 H ARG A 92 -3.289 -10.602 -9.884 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.741 -13.038 -9.272 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.757 -11.642 -7.239 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.259 -12.388 -7.748 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.560 -14.086 -6.362 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.674 -14.596 -7.786 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.615 -13.784 -6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.371 -12.592 -5.934 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.682 -15.294 -5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.259 -12.892 -4.776 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.783 -13.546 -3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.358 -16.140 -3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.704 -15.390 -2.315 1.00 0.00 H new ATOM 1328 N MET A 93 -3.512 -14.478 -10.313 1.00 0.00 N ATOM 1329 CA MET A 93 -4.419 -15.262 -11.134 1.00 0.00 C ATOM 1330 C MET A 93 -5.737 -15.520 -10.401 1.00 0.00 C ATOM 1331 O MET A 93 -5.834 -15.302 -9.194 1.00 0.00 O ATOM 1332 CB MET A 93 -3.762 -16.598 -11.487 1.00 0.00 C ATOM 1333 CG MET A 93 -3.531 -17.444 -10.234 1.00 0.00 C ATOM 1334 SD MET A 93 -3.560 -19.179 -10.654 1.00 0.00 S ATOM 1335 CE MET A 93 -5.304 -19.392 -10.970 1.00 0.00 C ATOM 0 H MET A 93 -2.725 -15.000 -9.929 1.00 0.00 H new ATOM 0 HA MET A 93 -4.634 -14.701 -12.043 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.394 -17.144 -12.187 1.00 0.00 H new ATOM 0 HB3 MET A 93 -2.811 -16.418 -11.989 1.00 0.00 H new ATOM 0 HG2 MET A 93 -2.573 -17.187 -9.783 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.300 -17.228 -9.493 1.00 0.00 H new ATOM 0 HE1 MET A 93 -5.441 -19.939 -11.903 1.00 0.00 H new ATOM 0 HE2 MET A 93 -5.756 -19.952 -10.151 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.781 -18.415 -11.049 1.00 0.00 H new ATOM 1345 N GLY A 94 -6.720 -15.979 -11.162 1.00 0.00 N ATOM 1346 CA GLY A 94 -8.028 -16.269 -10.600 1.00 0.00 C ATOM 1347 C GLY A 94 -7.901 -16.925 -9.224 1.00 0.00 C ATOM 1348 O GLY A 94 -7.017 -17.752 -9.006 1.00 0.00 O ATOM 0 H GLY A 94 -6.637 -16.157 -12.163 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.604 -15.347 -10.516 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.578 -16.928 -11.272 1.00 0.00 H new ATOM 1352 N SER A 95 -8.798 -16.532 -8.331 1.00 0.00 N ATOM 1353 CA SER A 95 -8.797 -17.072 -6.982 1.00 0.00 C ATOM 1354 C SER A 95 -9.308 -18.514 -6.995 1.00 0.00 C ATOM 1355 O SER A 95 -9.841 -18.979 -8.002 1.00 0.00 O ATOM 1356 CB SER A 95 -9.650 -16.215 -6.045 1.00 0.00 C ATOM 1357 OG SER A 95 -9.007 -15.989 -4.794 1.00 0.00 O ATOM 0 H SER A 95 -9.530 -15.846 -8.515 1.00 0.00 H new ATOM 0 HA SER A 95 -7.773 -17.060 -6.610 1.00 0.00 H new ATOM 0 HB2 SER A 95 -9.862 -15.258 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.608 -16.706 -5.876 1.00 0.00 H new ATOM 0 HG SER A 95 -9.583 -15.437 -4.225 1.00 0.00 H new ATOM 1363 N GLY A 96 -9.129 -19.183 -5.865 1.00 0.00 N ATOM 1364 CA GLY A 96 -9.565 -20.562 -5.734 1.00 0.00 C ATOM 1365 C GLY A 96 -8.405 -21.467 -5.316 1.00 0.00 C ATOM 1366 O GLY A 96 -7.681 -21.987 -6.165 1.00 0.00 O ATOM 0 H GLY A 96 -8.687 -18.795 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.365 -20.626 -4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.978 -20.908 -6.682 1.00 0.00 H new ATOM 1370 N PRO A 97 -8.259 -21.632 -3.974 1.00 0.00 N ATOM 1371 CA PRO A 97 -7.199 -22.465 -3.433 1.00 0.00 C ATOM 1372 C PRO A 97 -7.521 -23.950 -3.616 1.00 0.00 C ATOM 1373 O PRO A 97 -8.579 -24.300 -4.136 1.00 0.00 O ATOM 1374 CB PRO A 97 -7.084 -22.058 -1.974 1.00 0.00 C ATOM 1375 CG PRO A 97 -8.386 -21.350 -1.635 1.00 0.00 C ATOM 1376 CD PRO A 97 -9.097 -21.032 -2.940 1.00 0.00 C ATOM 0 HA PRO A 97 -6.249 -22.323 -3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.936 -22.929 -1.336 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.229 -21.400 -1.818 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.011 -21.982 -1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.189 -20.436 -1.075 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.104 -21.450 -2.954 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -9.196 -19.956 -3.085 1.00 0.00 H new ATOM 1384 N SER A 98 -6.588 -24.783 -3.178 1.00 0.00 N ATOM 1385 CA SER A 98 -6.760 -26.222 -3.286 1.00 0.00 C ATOM 1386 C SER A 98 -6.239 -26.908 -2.021 1.00 0.00 C ATOM 1387 O SER A 98 -5.166 -26.570 -1.525 1.00 0.00 O ATOM 1388 CB SER A 98 -6.042 -26.771 -4.521 1.00 0.00 C ATOM 1389 OG SER A 98 -6.619 -27.992 -4.975 1.00 0.00 O ATOM 0 H SER A 98 -5.711 -24.489 -2.748 1.00 0.00 H new ATOM 0 HA SER A 98 -7.824 -26.432 -3.394 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.081 -26.032 -5.321 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.990 -26.932 -4.287 1.00 0.00 H new ATOM 0 HG SER A 98 -6.134 -28.309 -5.765 1.00 0.00 H new ATOM 1395 N SER A 99 -7.024 -27.859 -1.536 1.00 0.00 N ATOM 1396 CA SER A 99 -6.656 -28.595 -0.339 1.00 0.00 C ATOM 1397 C SER A 99 -6.982 -30.079 -0.516 1.00 0.00 C ATOM 1398 O SER A 99 -6.097 -30.928 -0.425 1.00 0.00 O ATOM 1399 CB SER A 99 -7.372 -28.037 0.892 1.00 0.00 C ATOM 1400 OG SER A 99 -6.459 -27.684 1.927 1.00 0.00 O ATOM 0 H SER A 99 -7.914 -28.137 -1.951 1.00 0.00 H new ATOM 0 HA SER A 99 -5.583 -28.482 -0.184 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.953 -27.160 0.607 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.077 -28.778 1.268 1.00 0.00 H new ATOM 0 HG SER A 99 -6.955 -27.330 2.694 1.00 0.00 H new ATOM 1406 N GLY A 100 -8.255 -30.347 -0.767 1.00 0.00 N ATOM 1407 CA GLY A 100 -8.709 -31.714 -0.958 1.00 0.00 C ATOM 1408 C GLY A 100 -9.419 -32.235 0.293 1.00 0.00 C ATOM 1409 O GLY A 100 -10.647 -32.254 0.353 1.00 0.00 O ATOM 0 H GLY A 100 -8.987 -29.640 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.386 -31.760 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.858 -32.354 -1.191 1.00 0.00 H new TER 1413 GLY A 100