USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 548 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot -15:sc= 0.0277 USER MOD Set 1.2: A 41 ASN : amide:sc= 0.0247 K(o=0.052,f=-0.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -6.79! C(o=-6.8!,f=-9.6!) USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.69) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.0142 K(o=-0.014,f=-1.5) USER MOD Single : A 32 LYS NZ :NH3+ -153:sc= -0.957 (180deg=-2.05!) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.41) USER MOD Single : A 48 THR OG1 : rot 79:sc= 0.152 USER MOD Single : A 49 GLN : amide:sc= -2.65! C(o=-2.6!,f=-4.1!) USER MOD Single : A 53 THR OG1 : rot -48:sc= 0.999 USER MOD Single : A 54 SER OG : rot -166:sc= -0.263 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 145:sc= -0.627 (180deg=-1.17) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 94:sc= 1.45 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 156:sc= -0.146 (180deg=-0.751) USER MOD Single : A 70 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -52.004 -48.836 -9.830 1.00 0.00 N ATOM 2 CA GLY A 1 -51.407 -47.565 -9.464 1.00 0.00 C ATOM 3 C GLY A 1 -51.475 -47.301 -7.973 1.00 0.00 C ATOM 4 O GLY A 1 -52.557 -47.285 -7.387 1.00 0.00 O ATOM 0 H1 GLY A 1 -51.932 -48.970 -10.859 1.00 0.00 H new ATOM 0 H2 GLY A 1 -51.503 -49.607 -9.345 1.00 0.00 H new ATOM 0 H3 GLY A 1 -53.005 -48.843 -9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -50.366 -47.550 -9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -51.916 -46.761 -9.996 1.00 0.00 H new ATOM 8 N SER A 2 -50.315 -47.094 -7.357 1.00 0.00 N ATOM 9 CA SER A 2 -50.246 -46.834 -5.924 1.00 0.00 C ATOM 10 C SER A 2 -51.060 -45.597 -5.556 1.00 0.00 C ATOM 11 O SER A 2 -51.262 -44.705 -6.380 1.00 0.00 O ATOM 12 CB SER A 2 -48.792 -46.650 -5.487 1.00 0.00 C ATOM 13 OG SER A 2 -48.157 -45.632 -6.242 1.00 0.00 O ATOM 0 H SER A 2 -49.410 -47.101 -7.828 1.00 0.00 H new ATOM 0 HA SER A 2 -50.668 -47.693 -5.403 1.00 0.00 H new ATOM 0 HB2 SER A 2 -48.757 -46.397 -4.427 1.00 0.00 H new ATOM 0 HB3 SER A 2 -48.251 -47.588 -5.609 1.00 0.00 H new ATOM 0 HG SER A 2 -47.229 -45.533 -5.942 1.00 0.00 H new ATOM 19 N SER A 3 -51.526 -45.551 -4.312 1.00 0.00 N ATOM 20 CA SER A 3 -52.322 -44.427 -3.835 1.00 0.00 C ATOM 21 C SER A 3 -51.698 -43.811 -2.586 1.00 0.00 C ATOM 22 O SER A 3 -51.883 -44.307 -1.476 1.00 0.00 O ATOM 23 CB SER A 3 -53.753 -44.878 -3.534 1.00 0.00 C ATOM 24 OG SER A 3 -54.533 -43.803 -3.041 1.00 0.00 O ATOM 0 H SER A 3 -51.366 -46.280 -3.616 1.00 0.00 H new ATOM 0 HA SER A 3 -52.345 -43.671 -4.620 1.00 0.00 H new ATOM 0 HB2 SER A 3 -54.210 -45.278 -4.439 1.00 0.00 H new ATOM 0 HB3 SER A 3 -53.737 -45.685 -2.802 1.00 0.00 H new ATOM 0 HG SER A 3 -55.443 -44.116 -2.858 1.00 0.00 H new ATOM 30 N GLY A 4 -50.956 -42.724 -2.778 1.00 0.00 N ATOM 31 CA GLY A 4 -50.314 -42.057 -1.660 1.00 0.00 C ATOM 32 C GLY A 4 -49.029 -41.360 -2.060 1.00 0.00 C ATOM 33 O GLY A 4 -47.949 -41.943 -1.984 1.00 0.00 O ATOM 0 H GLY A 4 -50.788 -42.294 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -51.002 -41.327 -1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -50.100 -42.787 -0.880 1.00 0.00 H new ATOM 37 N SER A 5 -49.147 -40.107 -2.490 1.00 0.00 N ATOM 38 CA SER A 5 -47.986 -39.331 -2.909 1.00 0.00 C ATOM 39 C SER A 5 -48.291 -37.836 -2.876 1.00 0.00 C ATOM 40 O SER A 5 -49.439 -37.422 -3.033 1.00 0.00 O ATOM 41 CB SER A 5 -47.552 -39.743 -4.317 1.00 0.00 C ATOM 42 OG SER A 5 -48.638 -39.679 -5.225 1.00 0.00 O ATOM 0 H SER A 5 -50.034 -39.608 -2.557 1.00 0.00 H new ATOM 0 HA SER A 5 -47.173 -39.534 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 5 -46.749 -39.090 -4.659 1.00 0.00 H new ATOM 0 HB3 SER A 5 -47.151 -40.756 -4.295 1.00 0.00 H new ATOM 0 HG SER A 5 -48.334 -39.945 -6.118 1.00 0.00 H new ATOM 48 N SER A 6 -47.253 -37.032 -2.669 1.00 0.00 N ATOM 49 CA SER A 6 -47.409 -35.583 -2.611 1.00 0.00 C ATOM 50 C SER A 6 -46.117 -34.881 -3.015 1.00 0.00 C ATOM 51 O SER A 6 -45.072 -35.514 -3.161 1.00 0.00 O ATOM 52 CB SER A 6 -47.819 -35.149 -1.202 1.00 0.00 C ATOM 53 OG SER A 6 -46.747 -35.304 -0.288 1.00 0.00 O ATOM 0 H SER A 6 -46.296 -37.359 -2.539 1.00 0.00 H new ATOM 0 HA SER A 6 -48.192 -35.298 -3.314 1.00 0.00 H new ATOM 0 HB2 SER A 6 -48.140 -34.107 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A 6 -48.672 -35.740 -0.870 1.00 0.00 H new ATOM 0 HG SER A 6 -47.034 -35.018 0.604 1.00 0.00 H new ATOM 59 N GLY A 7 -46.196 -33.566 -3.196 1.00 0.00 N ATOM 60 CA GLY A 7 -45.027 -32.798 -3.582 1.00 0.00 C ATOM 61 C GLY A 7 -45.325 -31.318 -3.722 1.00 0.00 C ATOM 62 O GLY A 7 -45.920 -30.890 -4.711 1.00 0.00 O ATOM 0 H GLY A 7 -47.049 -33.019 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -44.242 -32.939 -2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -44.642 -33.179 -4.528 1.00 0.00 H new ATOM 66 N MET A 8 -44.913 -30.536 -2.730 1.00 0.00 N ATOM 67 CA MET A 8 -45.141 -29.096 -2.748 1.00 0.00 C ATOM 68 C MET A 8 -43.917 -28.346 -2.231 1.00 0.00 C ATOM 69 O MET A 8 -43.602 -28.398 -1.043 1.00 0.00 O ATOM 70 CB MET A 8 -46.365 -28.741 -1.903 1.00 0.00 C ATOM 71 CG MET A 8 -47.658 -29.352 -2.419 1.00 0.00 C ATOM 72 SD MET A 8 -48.453 -28.336 -3.678 1.00 0.00 S ATOM 73 CE MET A 8 -50.101 -29.037 -3.688 1.00 0.00 C ATOM 0 H MET A 8 -44.420 -30.875 -1.904 1.00 0.00 H new ATOM 0 HA MET A 8 -45.322 -28.795 -3.780 1.00 0.00 H new ATOM 0 HB2 MET A 8 -46.198 -29.075 -0.879 1.00 0.00 H new ATOM 0 HB3 MET A 8 -46.472 -27.657 -1.871 1.00 0.00 H new ATOM 0 HG2 MET A 8 -47.449 -30.339 -2.833 1.00 0.00 H new ATOM 0 HG3 MET A 8 -48.346 -29.495 -1.585 1.00 0.00 H new ATOM 0 HE1 MET A 8 -50.715 -28.512 -4.420 1.00 0.00 H new ATOM 0 HE2 MET A 8 -50.046 -30.093 -3.952 1.00 0.00 H new ATOM 0 HE3 MET A 8 -50.547 -28.933 -2.699 1.00 0.00 H new ATOM 83 N ALA A 9 -43.232 -27.649 -3.132 1.00 0.00 N ATOM 84 CA ALA A 9 -42.044 -26.887 -2.766 1.00 0.00 C ATOM 85 C ALA A 9 -41.681 -25.880 -3.853 1.00 0.00 C ATOM 86 O ALA A 9 -41.707 -26.199 -5.041 1.00 0.00 O ATOM 87 CB ALA A 9 -40.876 -27.825 -2.502 1.00 0.00 C ATOM 0 H ALA A 9 -43.479 -27.596 -4.120 1.00 0.00 H new ATOM 0 HA ALA A 9 -42.265 -26.333 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -39.996 -27.242 -2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -41.130 -28.502 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -40.664 -28.404 -3.401 1.00 0.00 H new ATOM 93 N SER A 10 -41.344 -24.664 -3.437 1.00 0.00 N ATOM 94 CA SER A 10 -40.981 -23.609 -4.375 1.00 0.00 C ATOM 95 C SER A 10 -39.880 -22.724 -3.798 1.00 0.00 C ATOM 96 O SER A 10 -39.962 -22.278 -2.655 1.00 0.00 O ATOM 97 CB SER A 10 -42.206 -22.759 -4.720 1.00 0.00 C ATOM 98 OG SER A 10 -41.955 -21.936 -5.846 1.00 0.00 O ATOM 0 H SER A 10 -41.315 -24.385 -2.456 1.00 0.00 H new ATOM 0 HA SER A 10 -40.606 -24.079 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 10 -43.058 -23.408 -4.923 1.00 0.00 H new ATOM 0 HB3 SER A 10 -42.475 -22.139 -3.865 1.00 0.00 H new ATOM 0 HG SER A 10 -42.753 -21.404 -6.047 1.00 0.00 H new ATOM 104 N GLY A 11 -38.849 -22.474 -4.600 1.00 0.00 N ATOM 105 CA GLY A 11 -37.746 -21.644 -4.152 1.00 0.00 C ATOM 106 C GLY A 11 -36.473 -21.900 -4.935 1.00 0.00 C ATOM 107 O GLY A 11 -35.811 -22.918 -4.737 1.00 0.00 O ATOM 0 H GLY A 11 -38.758 -22.831 -5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -38.023 -20.594 -4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -37.562 -21.830 -3.094 1.00 0.00 H new ATOM 111 N GLN A 12 -36.132 -20.975 -5.826 1.00 0.00 N ATOM 112 CA GLN A 12 -34.931 -21.108 -6.642 1.00 0.00 C ATOM 113 C GLN A 12 -33.890 -20.063 -6.253 1.00 0.00 C ATOM 114 O GLN A 12 -34.214 -18.892 -6.054 1.00 0.00 O ATOM 115 CB GLN A 12 -35.279 -20.969 -8.125 1.00 0.00 C ATOM 116 CG GLN A 12 -35.660 -22.284 -8.786 1.00 0.00 C ATOM 117 CD GLN A 12 -36.040 -22.117 -10.244 1.00 0.00 C ATOM 118 OE1 GLN A 12 -35.203 -21.772 -11.080 1.00 0.00 O ATOM 119 NE2 GLN A 12 -37.307 -22.360 -10.558 1.00 0.00 N ATOM 0 H GLN A 12 -36.670 -20.126 -6.001 1.00 0.00 H new ATOM 0 HA GLN A 12 -34.510 -22.098 -6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -36.105 -20.266 -8.232 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -34.426 -20.541 -8.651 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -34.824 -22.980 -8.710 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -36.496 -22.729 -8.246 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -37.967 -22.644 -9.833 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -37.621 -22.263 -11.524 1.00 0.00 H new ATOM 128 N PHE A 13 -32.638 -20.495 -6.145 1.00 0.00 N ATOM 129 CA PHE A 13 -31.549 -19.598 -5.778 1.00 0.00 C ATOM 130 C PHE A 13 -31.393 -18.481 -6.806 1.00 0.00 C ATOM 131 O PHE A 13 -31.897 -18.579 -7.925 1.00 0.00 O ATOM 132 CB PHE A 13 -30.238 -20.377 -5.652 1.00 0.00 C ATOM 133 CG PHE A 13 -30.130 -21.167 -4.379 1.00 0.00 C ATOM 134 CD1 PHE A 13 -30.867 -22.328 -4.205 1.00 0.00 C ATOM 135 CD2 PHE A 13 -29.292 -20.750 -3.358 1.00 0.00 C ATOM 136 CE1 PHE A 13 -30.770 -23.057 -3.035 1.00 0.00 C ATOM 137 CE2 PHE A 13 -29.191 -21.476 -2.185 1.00 0.00 C ATOM 138 CZ PHE A 13 -29.930 -22.631 -2.024 1.00 0.00 C ATOM 0 H PHE A 13 -32.353 -21.461 -6.306 1.00 0.00 H new ATOM 0 HA PHE A 13 -31.791 -19.150 -4.815 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -30.145 -21.055 -6.500 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -29.403 -19.679 -5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -31.524 -22.667 -4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -28.711 -19.848 -3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -31.350 -23.959 -2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -28.535 -21.140 -1.396 1.00 0.00 H new ATOM 0 HZ PHE A 13 -29.852 -23.200 -1.110 1.00 0.00 H new ATOM 148 N VAL A 14 -30.692 -17.421 -6.419 1.00 0.00 N ATOM 149 CA VAL A 14 -30.469 -16.286 -7.306 1.00 0.00 C ATOM 150 C VAL A 14 -29.468 -16.633 -8.402 1.00 0.00 C ATOM 151 O VAL A 14 -28.656 -17.545 -8.248 1.00 0.00 O ATOM 152 CB VAL A 14 -29.958 -15.058 -6.530 1.00 0.00 C ATOM 153 CG1 VAL A 14 -30.966 -14.638 -5.470 1.00 0.00 C ATOM 154 CG2 VAL A 14 -28.603 -15.351 -5.902 1.00 0.00 C ATOM 0 H VAL A 14 -30.268 -17.324 -5.496 1.00 0.00 H new ATOM 0 HA VAL A 14 -31.431 -16.046 -7.759 1.00 0.00 H new ATOM 0 HB VAL A 14 -29.838 -14.232 -7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -30.587 -13.769 -4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -31.912 -14.385 -5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -31.121 -15.459 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -28.257 -14.473 -5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -28.695 -16.191 -5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -27.886 -15.599 -6.684 1.00 0.00 H new ATOM 164 N ASN A 15 -29.531 -15.900 -9.509 1.00 0.00 N ATOM 165 CA ASN A 15 -28.629 -16.131 -10.631 1.00 0.00 C ATOM 166 C ASN A 15 -28.568 -14.906 -11.540 1.00 0.00 C ATOM 167 O ASN A 15 -29.367 -13.980 -11.407 1.00 0.00 O ATOM 168 CB ASN A 15 -29.082 -17.353 -11.433 1.00 0.00 C ATOM 169 CG ASN A 15 -29.394 -18.543 -10.546 1.00 0.00 C ATOM 170 OD1 ASN A 15 -30.386 -18.545 -9.818 1.00 0.00 O ATOM 171 ND2 ASN A 15 -28.545 -19.562 -10.605 1.00 0.00 N ATOM 0 H ASN A 15 -30.197 -15.141 -9.653 1.00 0.00 H new ATOM 0 HA ASN A 15 -27.632 -16.316 -10.232 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -29.967 -17.095 -12.015 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -28.302 -17.627 -12.144 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -28.702 -20.391 -10.032 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -27.735 -19.516 -11.224 1.00 0.00 H new ATOM 178 N LYS A 16 -27.613 -14.910 -12.464 1.00 0.00 N ATOM 179 CA LYS A 16 -27.447 -13.802 -13.397 1.00 0.00 C ATOM 180 C LYS A 16 -27.438 -12.467 -12.660 1.00 0.00 C ATOM 181 O LYS A 16 -28.048 -11.495 -13.108 1.00 0.00 O ATOM 182 CB LYS A 16 -28.566 -13.814 -14.440 1.00 0.00 C ATOM 183 CG LYS A 16 -28.323 -14.784 -15.583 1.00 0.00 C ATOM 184 CD LYS A 16 -29.580 -15.002 -16.407 1.00 0.00 C ATOM 185 CE LYS A 16 -29.682 -13.998 -17.545 1.00 0.00 C ATOM 186 NZ LYS A 16 -30.264 -12.704 -17.093 1.00 0.00 N ATOM 0 H LYS A 16 -26.942 -15.669 -12.587 1.00 0.00 H new ATOM 0 HA LYS A 16 -26.488 -13.925 -13.901 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -29.505 -14.071 -13.950 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -28.683 -12.809 -14.846 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -27.529 -14.401 -16.224 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -27.978 -15.738 -15.184 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -29.580 -16.014 -16.812 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -30.457 -14.916 -15.765 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -28.691 -13.824 -17.965 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -30.298 -14.414 -18.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -30.734 -12.236 -17.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -30.959 -12.880 -16.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -29.507 -12.091 -16.729 1.00 0.00 H new ATOM 200 N LEU A 17 -26.743 -12.425 -11.529 1.00 0.00 N ATOM 201 CA LEU A 17 -26.654 -11.207 -10.730 1.00 0.00 C ATOM 202 C LEU A 17 -25.418 -10.397 -11.108 1.00 0.00 C ATOM 203 O LEU A 17 -24.644 -10.798 -11.977 1.00 0.00 O ATOM 204 CB LEU A 17 -26.616 -11.553 -9.240 1.00 0.00 C ATOM 205 CG LEU A 17 -25.667 -12.682 -8.838 1.00 0.00 C ATOM 206 CD1 LEU A 17 -26.320 -14.036 -9.070 1.00 0.00 C ATOM 207 CD2 LEU A 17 -24.359 -12.580 -9.608 1.00 0.00 C ATOM 0 H LEU A 17 -26.233 -13.220 -11.144 1.00 0.00 H new ATOM 0 HA LEU A 17 -27.538 -10.602 -10.934 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -26.337 -10.656 -8.686 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -27.624 -11.823 -8.924 1.00 0.00 H new ATOM 0 HG LEU A 17 -25.447 -12.584 -7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -25.630 -14.828 -8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -27.229 -14.109 -8.473 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -26.570 -14.143 -10.126 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -23.696 -13.392 -9.309 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.560 -12.651 -10.677 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -23.883 -11.624 -9.391 1.00 0.00 H new ATOM 219 N GLN A 18 -25.238 -9.258 -10.447 1.00 0.00 N ATOM 220 CA GLN A 18 -24.095 -8.394 -10.713 1.00 0.00 C ATOM 221 C GLN A 18 -23.123 -8.399 -9.537 1.00 0.00 C ATOM 222 O GLN A 18 -23.257 -7.606 -8.606 1.00 0.00 O ATOM 223 CB GLN A 18 -24.564 -6.965 -10.995 1.00 0.00 C ATOM 224 CG GLN A 18 -24.905 -6.715 -12.455 1.00 0.00 C ATOM 225 CD GLN A 18 -25.636 -5.403 -12.667 1.00 0.00 C ATOM 226 OE1 GLN A 18 -25.082 -4.327 -12.442 1.00 0.00 O ATOM 227 NE2 GLN A 18 -26.888 -5.486 -13.102 1.00 0.00 N ATOM 0 H GLN A 18 -25.869 -8.913 -9.724 1.00 0.00 H new ATOM 0 HA GLN A 18 -23.577 -8.780 -11.591 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -25.441 -6.752 -10.384 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -23.784 -6.268 -10.688 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -23.988 -6.715 -13.044 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -25.521 -7.534 -12.826 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -27.308 -6.399 -13.276 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -27.430 -4.637 -13.262 1.00 0.00 H new ATOM 236 N GLU A 19 -22.146 -9.299 -9.588 1.00 0.00 N ATOM 237 CA GLU A 19 -21.152 -9.408 -8.526 1.00 0.00 C ATOM 238 C GLU A 19 -19.797 -8.886 -8.994 1.00 0.00 C ATOM 239 O GLU A 19 -18.974 -9.641 -9.510 1.00 0.00 O ATOM 240 CB GLU A 19 -21.021 -10.862 -8.068 1.00 0.00 C ATOM 241 CG GLU A 19 -20.031 -11.054 -6.931 1.00 0.00 C ATOM 242 CD GLU A 19 -20.278 -10.102 -5.776 1.00 0.00 C ATOM 243 OE1 GLU A 19 -21.452 -9.754 -5.534 1.00 0.00 O ATOM 244 OE2 GLU A 19 -19.295 -9.707 -5.114 1.00 0.00 O ATOM 0 H GLU A 19 -22.021 -9.963 -10.352 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.486 -8.799 -7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -21.999 -11.224 -7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -20.712 -11.475 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -20.092 -12.081 -6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -19.018 -10.908 -7.307 1.00 0.00 H new ATOM 251 N GLU A 20 -19.573 -7.588 -8.809 1.00 0.00 N ATOM 252 CA GLU A 20 -18.318 -6.965 -9.213 1.00 0.00 C ATOM 253 C GLU A 20 -17.417 -6.723 -8.005 1.00 0.00 C ATOM 254 O GLU A 20 -17.895 -6.441 -6.906 1.00 0.00 O ATOM 255 CB GLU A 20 -18.589 -5.643 -9.934 1.00 0.00 C ATOM 256 CG GLU A 20 -19.130 -5.818 -11.343 1.00 0.00 C ATOM 257 CD GLU A 20 -18.804 -4.642 -12.243 1.00 0.00 C ATOM 258 OE1 GLU A 20 -17.668 -4.587 -12.758 1.00 0.00 O ATOM 259 OE2 GLU A 20 -19.685 -3.778 -12.433 1.00 0.00 O ATOM 0 H GLU A 20 -20.244 -6.949 -8.382 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.807 -7.645 -9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -19.301 -5.060 -9.350 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.665 -5.067 -9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.716 -6.728 -11.777 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -20.211 -5.949 -11.299 1.00 0.00 H new ATOM 266 N VAL A 21 -16.110 -6.836 -8.217 1.00 0.00 N ATOM 267 CA VAL A 21 -15.141 -6.630 -7.147 1.00 0.00 C ATOM 268 C VAL A 21 -15.022 -5.152 -6.791 1.00 0.00 C ATOM 269 O VAL A 21 -14.940 -4.296 -7.673 1.00 0.00 O ATOM 270 CB VAL A 21 -13.751 -7.166 -7.538 1.00 0.00 C ATOM 271 CG1 VAL A 21 -13.224 -6.440 -8.767 1.00 0.00 C ATOM 272 CG2 VAL A 21 -12.782 -7.031 -6.373 1.00 0.00 C ATOM 0 H VAL A 21 -15.697 -7.069 -9.120 1.00 0.00 H new ATOM 0 HA VAL A 21 -15.504 -7.182 -6.280 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.845 -8.224 -7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.241 -6.832 -9.028 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.909 -6.593 -9.601 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.144 -5.374 -8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.805 -7.414 -6.666 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.691 -5.981 -6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -13.155 -7.601 -5.522 1.00 0.00 H new ATOM 282 N ILE A 22 -15.013 -4.860 -5.495 1.00 0.00 N ATOM 283 CA ILE A 22 -14.903 -3.486 -5.023 1.00 0.00 C ATOM 284 C ILE A 22 -13.547 -3.236 -4.371 1.00 0.00 C ATOM 285 O ILE A 22 -12.899 -4.163 -3.885 1.00 0.00 O ATOM 286 CB ILE A 22 -16.015 -3.146 -4.013 1.00 0.00 C ATOM 287 CG1 ILE A 22 -17.376 -3.589 -4.553 1.00 0.00 C ATOM 288 CG2 ILE A 22 -16.019 -1.655 -3.711 1.00 0.00 C ATOM 289 CD1 ILE A 22 -18.460 -3.632 -3.499 1.00 0.00 C ATOM 0 H ILE A 22 -15.081 -5.557 -4.753 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.008 -2.843 -5.897 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.820 -3.684 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.681 -2.909 -5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.276 -4.578 -5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.810 -1.431 -2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.056 -1.367 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.193 -1.098 -4.631 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -19.397 -3.954 -3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -18.177 -4.334 -2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.588 -2.639 -3.068 1.00 0.00 H new ATOM 301 N CYS A 23 -13.124 -1.976 -4.363 1.00 0.00 N ATOM 302 CA CYS A 23 -11.845 -1.602 -3.770 1.00 0.00 C ATOM 303 C CYS A 23 -11.934 -1.594 -2.247 1.00 0.00 C ATOM 304 O CYS A 23 -12.698 -0.836 -1.648 1.00 0.00 O ATOM 305 CB CYS A 23 -11.410 -0.224 -4.274 1.00 0.00 C ATOM 306 SG CYS A 23 -9.686 0.204 -3.868 1.00 0.00 S ATOM 0 H CYS A 23 -13.648 -1.197 -4.761 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.103 -2.342 -4.069 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -11.537 -0.187 -5.356 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.071 0.532 -3.850 1.00 0.00 H new ATOM 311 N PRO A 24 -11.134 -2.458 -1.603 1.00 0.00 N ATOM 312 CA PRO A 24 -11.103 -2.570 -0.142 1.00 0.00 C ATOM 313 C PRO A 24 -10.478 -1.346 0.520 1.00 0.00 C ATOM 314 O PRO A 24 -10.316 -1.304 1.739 1.00 0.00 O ATOM 315 CB PRO A 24 -10.238 -3.809 0.100 1.00 0.00 C ATOM 316 CG PRO A 24 -9.373 -3.910 -1.108 1.00 0.00 C ATOM 317 CD PRO A 24 -10.199 -3.391 -2.253 1.00 0.00 C ATOM 0 HA PRO A 24 -12.104 -2.643 0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.641 -3.704 1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.851 -4.702 0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.462 -3.323 -0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.067 -4.941 -1.284 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.582 -2.888 -2.998 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.726 -4.196 -2.766 1.00 0.00 H new ATOM 325 N ILE A 25 -10.130 -0.353 -0.292 1.00 0.00 N ATOM 326 CA ILE A 25 -9.525 0.871 0.216 1.00 0.00 C ATOM 327 C ILE A 25 -10.549 1.998 0.300 1.00 0.00 C ATOM 328 O ILE A 25 -10.717 2.623 1.347 1.00 0.00 O ATOM 329 CB ILE A 25 -8.349 1.327 -0.668 1.00 0.00 C ATOM 330 CG1 ILE A 25 -7.236 0.277 -0.656 1.00 0.00 C ATOM 331 CG2 ILE A 25 -7.820 2.672 -0.195 1.00 0.00 C ATOM 332 CD1 ILE A 25 -6.059 0.633 -1.536 1.00 0.00 C ATOM 0 H ILE A 25 -10.257 -0.373 -1.304 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.153 0.647 1.216 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.706 1.439 -1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.886 0.142 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.646 -0.679 -0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.989 2.980 -0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.615 3.416 -0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.476 2.586 0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.309 -0.156 -1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.395 0.739 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.623 1.573 -1.198 1.00 0.00 H new ATOM 344 N CYS A 26 -11.234 2.250 -0.810 1.00 0.00 N ATOM 345 CA CYS A 26 -12.245 3.300 -0.863 1.00 0.00 C ATOM 346 C CYS A 26 -13.649 2.703 -0.888 1.00 0.00 C ATOM 347 O CYS A 26 -14.631 3.386 -0.596 1.00 0.00 O ATOM 348 CB CYS A 26 -12.031 4.180 -2.097 1.00 0.00 C ATOM 349 SG CYS A 26 -11.868 3.250 -3.655 1.00 0.00 S ATOM 0 H CYS A 26 -11.108 1.742 -1.685 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.146 3.912 0.034 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.868 4.872 -2.186 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.134 4.781 -1.950 1.00 0.00 H new ATOM 354 N LEU A 27 -13.736 1.425 -1.238 1.00 0.00 N ATOM 355 CA LEU A 27 -15.019 0.734 -1.301 1.00 0.00 C ATOM 356 C LEU A 27 -15.859 1.250 -2.465 1.00 0.00 C ATOM 357 O LEU A 27 -17.045 1.539 -2.308 1.00 0.00 O ATOM 358 CB LEU A 27 -15.782 0.914 0.012 1.00 0.00 C ATOM 359 CG LEU A 27 -14.952 0.804 1.292 1.00 0.00 C ATOM 360 CD1 LEU A 27 -15.752 1.290 2.490 1.00 0.00 C ATOM 361 CD2 LEU A 27 -14.487 -0.629 1.504 1.00 0.00 C ATOM 0 H LEU A 27 -12.933 0.846 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.825 -0.327 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.263 1.892 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.576 0.168 0.053 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.072 1.439 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.145 1.204 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.034 2.332 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.651 0.683 2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.898 -0.689 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.354 -1.284 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.875 -0.942 0.658 1.00 0.00 H new ATOM 373 N ASP A 28 -15.236 1.361 -3.633 1.00 0.00 N ATOM 374 CA ASP A 28 -15.927 1.839 -4.826 1.00 0.00 C ATOM 375 C ASP A 28 -15.749 0.863 -5.984 1.00 0.00 C ATOM 376 O ASP A 28 -14.679 0.278 -6.157 1.00 0.00 O ATOM 377 CB ASP A 28 -15.406 3.221 -5.223 1.00 0.00 C ATOM 378 CG ASP A 28 -16.068 3.750 -6.480 1.00 0.00 C ATOM 379 OD1 ASP A 28 -17.311 3.675 -6.573 1.00 0.00 O ATOM 380 OD2 ASP A 28 -15.342 4.238 -7.371 1.00 0.00 O ATOM 0 H ASP A 28 -14.254 1.127 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 28 -16.990 1.912 -4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -15.577 3.920 -4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.328 3.169 -5.378 1.00 0.00 H new ATOM 385 N ILE A 29 -16.804 0.691 -6.774 1.00 0.00 N ATOM 386 CA ILE A 29 -16.764 -0.214 -7.916 1.00 0.00 C ATOM 387 C ILE A 29 -15.436 -0.105 -8.657 1.00 0.00 C ATOM 388 O ILE A 29 -15.199 0.856 -9.391 1.00 0.00 O ATOM 389 CB ILE A 29 -17.914 0.070 -8.900 1.00 0.00 C ATOM 390 CG1 ILE A 29 -19.265 -0.142 -8.214 1.00 0.00 C ATOM 391 CG2 ILE A 29 -17.792 -0.819 -10.128 1.00 0.00 C ATOM 392 CD1 ILE A 29 -20.441 0.337 -9.036 1.00 0.00 C ATOM 0 H ILE A 29 -17.697 1.167 -6.644 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.876 -1.224 -7.522 1.00 0.00 H new ATOM 0 HB ILE A 29 -17.850 1.110 -9.221 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -19.391 -1.203 -7.998 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -19.264 0.380 -7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.612 -0.606 -10.814 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.842 -0.623 -10.626 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.834 -1.865 -9.825 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -21.366 0.155 -8.488 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -20.338 1.405 -9.231 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -20.468 -0.203 -9.982 1.00 0.00 H new ATOM 404 N LEU A 30 -14.573 -1.096 -8.463 1.00 0.00 N ATOM 405 CA LEU A 30 -13.268 -1.113 -9.115 1.00 0.00 C ATOM 406 C LEU A 30 -13.418 -1.087 -10.633 1.00 0.00 C ATOM 407 O LEU A 30 -13.456 -2.134 -11.279 1.00 0.00 O ATOM 408 CB LEU A 30 -12.480 -2.353 -8.690 1.00 0.00 C ATOM 409 CG LEU A 30 -11.613 -2.201 -7.439 1.00 0.00 C ATOM 410 CD1 LEU A 30 -11.317 -3.561 -6.826 1.00 0.00 C ATOM 411 CD2 LEU A 30 -10.320 -1.471 -7.772 1.00 0.00 C ATOM 0 H LEU A 30 -14.753 -1.898 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.723 -0.221 -8.807 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -13.185 -3.167 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.838 -2.653 -9.518 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.164 -1.608 -6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.699 -3.433 -5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.253 -4.047 -6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.787 -4.179 -7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.716 -1.372 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.765 -2.037 -8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.552 -0.481 -8.164 1.00 0.00 H new ATOM 423 N GLN A 31 -13.499 0.115 -11.194 1.00 0.00 N ATOM 424 CA GLN A 31 -13.642 0.276 -12.636 1.00 0.00 C ATOM 425 C GLN A 31 -12.428 -0.284 -13.370 1.00 0.00 C ATOM 426 O GLN A 31 -12.555 -0.873 -14.444 1.00 0.00 O ATOM 427 CB GLN A 31 -13.830 1.752 -12.990 1.00 0.00 C ATOM 428 CG GLN A 31 -14.539 1.975 -14.316 1.00 0.00 C ATOM 429 CD GLN A 31 -15.047 3.394 -14.475 1.00 0.00 C ATOM 430 OE1 GLN A 31 -14.908 4.220 -13.573 1.00 0.00 O ATOM 431 NE2 GLN A 31 -15.639 3.685 -15.628 1.00 0.00 N ATOM 0 H GLN A 31 -13.468 0.991 -10.672 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.524 -0.281 -12.952 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.399 2.237 -12.197 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.854 2.236 -13.024 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.855 1.745 -15.133 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.377 1.282 -14.397 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -15.733 2.969 -16.348 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -16.000 4.625 -15.793 1.00 0.00 H new ATOM 440 N LYS A 32 -11.251 -0.097 -12.784 1.00 0.00 N ATOM 441 CA LYS A 32 -10.012 -0.584 -13.380 1.00 0.00 C ATOM 442 C LYS A 32 -9.138 -1.270 -12.336 1.00 0.00 C ATOM 443 O LYS A 32 -8.201 -0.684 -11.794 1.00 0.00 O ATOM 444 CB LYS A 32 -9.244 0.572 -14.025 1.00 0.00 C ATOM 445 CG LYS A 32 -9.003 1.741 -13.085 1.00 0.00 C ATOM 446 CD LYS A 32 -8.795 3.037 -13.850 1.00 0.00 C ATOM 447 CE LYS A 32 -10.118 3.715 -14.169 1.00 0.00 C ATOM 448 NZ LYS A 32 -10.826 3.047 -15.296 1.00 0.00 N ATOM 0 H LYS A 32 -11.128 0.389 -11.896 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.270 -1.314 -14.147 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.284 0.203 -14.386 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.798 0.924 -14.895 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.852 1.848 -12.410 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.129 1.538 -12.467 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.172 3.711 -13.263 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.258 2.832 -14.776 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.754 3.705 -13.284 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.939 4.760 -14.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.436 3.736 -15.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.129 2.670 -15.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.408 2.268 -14.927 1.00 0.00 H new ATOM 462 N PRO A 33 -9.449 -2.542 -12.046 1.00 0.00 N ATOM 463 CA PRO A 33 -8.702 -3.336 -11.065 1.00 0.00 C ATOM 464 C PRO A 33 -7.300 -3.687 -11.551 1.00 0.00 C ATOM 465 O PRO A 33 -7.132 -4.288 -12.612 1.00 0.00 O ATOM 466 CB PRO A 33 -9.549 -4.602 -10.915 1.00 0.00 C ATOM 467 CG PRO A 33 -10.294 -4.714 -12.200 1.00 0.00 C ATOM 468 CD PRO A 33 -10.554 -3.303 -12.652 1.00 0.00 C ATOM 0 HA PRO A 33 -8.552 -2.794 -10.131 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.924 -5.478 -10.742 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.230 -4.524 -10.068 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.712 -5.261 -12.942 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.228 -5.258 -12.063 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.549 -3.222 -13.739 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.525 -2.944 -12.310 1.00 0.00 H new ATOM 476 N VAL A 34 -6.295 -3.308 -10.767 1.00 0.00 N ATOM 477 CA VAL A 34 -4.907 -3.584 -11.117 1.00 0.00 C ATOM 478 C VAL A 34 -4.259 -4.516 -10.099 1.00 0.00 C ATOM 479 O VAL A 34 -4.369 -4.307 -8.891 1.00 0.00 O ATOM 480 CB VAL A 34 -4.082 -2.286 -11.207 1.00 0.00 C ATOM 481 CG1 VAL A 34 -2.625 -2.600 -11.509 1.00 0.00 C ATOM 482 CG2 VAL A 34 -4.665 -1.357 -12.261 1.00 0.00 C ATOM 0 H VAL A 34 -6.417 -2.809 -9.886 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.917 -4.068 -12.094 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.127 -1.779 -10.243 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.058 -1.671 -11.569 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.215 -3.225 -10.715 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.556 -3.129 -12.459 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.070 -0.445 -12.311 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.651 -1.853 -13.231 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.692 -1.106 -11.997 1.00 0.00 H new ATOM 492 N THR A 35 -3.582 -5.546 -10.596 1.00 0.00 N ATOM 493 CA THR A 35 -2.916 -6.512 -9.730 1.00 0.00 C ATOM 494 C THR A 35 -1.442 -6.164 -9.551 1.00 0.00 C ATOM 495 O THR A 35 -0.648 -6.290 -10.483 1.00 0.00 O ATOM 496 CB THR A 35 -3.030 -7.942 -10.291 1.00 0.00 C ATOM 497 OG1 THR A 35 -4.404 -8.265 -10.534 1.00 0.00 O ATOM 498 CG2 THR A 35 -2.429 -8.951 -9.325 1.00 0.00 C ATOM 0 H THR A 35 -3.480 -5.733 -11.593 1.00 0.00 H new ATOM 0 HA THR A 35 -3.417 -6.469 -8.763 1.00 0.00 H new ATOM 0 HB THR A 35 -2.476 -7.986 -11.229 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.978 -7.619 -10.072 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.521 -9.954 -9.742 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.376 -8.719 -9.166 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.959 -8.904 -8.374 1.00 0.00 H new ATOM 506 N ILE A 36 -1.084 -5.728 -8.348 1.00 0.00 N ATOM 507 CA ILE A 36 0.295 -5.365 -8.047 1.00 0.00 C ATOM 508 C ILE A 36 1.139 -6.602 -7.760 1.00 0.00 C ATOM 509 O ILE A 36 0.641 -7.727 -7.793 1.00 0.00 O ATOM 510 CB ILE A 36 0.375 -4.411 -6.841 1.00 0.00 C ATOM 511 CG1 ILE A 36 -0.254 -5.060 -5.607 1.00 0.00 C ATOM 512 CG2 ILE A 36 -0.313 -3.092 -7.162 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.308 -4.144 -4.404 1.00 0.00 C ATOM 0 H ILE A 36 -1.730 -5.618 -7.566 1.00 0.00 H new ATOM 0 HA ILE A 36 0.687 -4.857 -8.928 1.00 0.00 H new ATOM 0 HB ILE A 36 1.424 -4.208 -6.626 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.265 -5.384 -5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.313 -5.954 -5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.248 -2.428 -6.300 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.176 -2.625 -8.017 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.361 -3.276 -7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.766 -4.670 -3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.703 -3.840 -4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.900 -3.261 -4.645 1.00 0.00 H new ATOM 525 N ASP A 37 2.419 -6.385 -7.476 1.00 0.00 N ATOM 526 CA ASP A 37 3.333 -7.482 -7.179 1.00 0.00 C ATOM 527 C ASP A 37 2.833 -8.300 -5.993 1.00 0.00 C ATOM 528 O ASP A 37 2.857 -9.531 -6.019 1.00 0.00 O ATOM 529 CB ASP A 37 4.734 -6.942 -6.888 1.00 0.00 C ATOM 530 CG ASP A 37 5.447 -6.476 -8.142 1.00 0.00 C ATOM 531 OD1 ASP A 37 5.804 -7.335 -8.976 1.00 0.00 O ATOM 532 OD2 ASP A 37 5.647 -5.253 -8.291 1.00 0.00 O ATOM 0 H ASP A 37 2.847 -5.460 -7.445 1.00 0.00 H new ATOM 0 HA ASP A 37 3.377 -8.132 -8.053 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.662 -6.112 -6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.326 -7.719 -6.404 1.00 0.00 H new ATOM 537 N CYS A 38 2.380 -7.608 -4.952 1.00 0.00 N ATOM 538 CA CYS A 38 1.876 -8.269 -3.755 1.00 0.00 C ATOM 539 C CYS A 38 0.914 -9.396 -4.120 1.00 0.00 C ATOM 540 O CYS A 38 0.980 -10.489 -3.559 1.00 0.00 O ATOM 541 CB CYS A 38 1.174 -7.258 -2.846 1.00 0.00 C ATOM 542 SG CYS A 38 -0.606 -7.064 -3.186 1.00 0.00 S ATOM 0 H CYS A 38 2.352 -6.589 -4.914 1.00 0.00 H new ATOM 0 HA CYS A 38 2.725 -8.698 -3.222 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.303 -7.567 -1.809 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.661 -6.289 -2.953 1.00 0.00 H new ATOM 547 N GLY A 39 0.020 -9.120 -5.065 1.00 0.00 N ATOM 548 CA GLY A 39 -0.943 -10.120 -5.489 1.00 0.00 C ATOM 549 C GLY A 39 -2.363 -9.759 -5.099 1.00 0.00 C ATOM 550 O GLY A 39 -3.168 -10.634 -4.780 1.00 0.00 O ATOM 0 H GLY A 39 -0.055 -8.223 -5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.886 -10.239 -6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.682 -11.082 -5.048 1.00 0.00 H new ATOM 554 N HIS A 40 -2.671 -8.466 -5.123 1.00 0.00 N ATOM 555 CA HIS A 40 -4.004 -7.992 -4.768 1.00 0.00 C ATOM 556 C HIS A 40 -4.537 -7.028 -5.824 1.00 0.00 C ATOM 557 O HIS A 40 -3.771 -6.455 -6.597 1.00 0.00 O ATOM 558 CB HIS A 40 -3.977 -7.305 -3.402 1.00 0.00 C ATOM 559 CG HIS A 40 -3.806 -8.256 -2.257 1.00 0.00 C ATOM 560 ND1 HIS A 40 -3.303 -7.874 -1.031 1.00 0.00 N ATOM 561 CD2 HIS A 40 -4.077 -9.578 -2.157 1.00 0.00 C ATOM 562 CE1 HIS A 40 -3.270 -8.922 -0.227 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.735 -9.968 -0.885 1.00 0.00 N ATOM 0 H HIS A 40 -2.016 -7.729 -5.384 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.668 -8.855 -4.720 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.164 -6.579 -3.385 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.904 -6.748 -3.266 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.486 -10.209 -2.932 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.922 -8.923 0.795 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.826 -10.912 -0.510 1.00 0.00 H new ATOM 571 N ASN A 41 -5.855 -6.856 -5.851 1.00 0.00 N ATOM 572 CA ASN A 41 -6.490 -5.963 -6.813 1.00 0.00 C ATOM 573 C ASN A 41 -6.909 -4.656 -6.148 1.00 0.00 C ATOM 574 O ASN A 41 -7.556 -4.659 -5.101 1.00 0.00 O ATOM 575 CB ASN A 41 -7.708 -6.642 -7.443 1.00 0.00 C ATOM 576 CG ASN A 41 -7.330 -7.560 -8.590 1.00 0.00 C ATOM 577 OD1 ASN A 41 -7.212 -7.124 -9.735 1.00 0.00 O ATOM 578 ND2 ASN A 41 -7.140 -8.838 -8.286 1.00 0.00 N ATOM 0 H ASN A 41 -6.504 -7.323 -5.218 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.765 -5.736 -7.594 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.235 -7.216 -6.681 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.399 -5.880 -7.804 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.885 -9.503 -9.016 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.249 -9.155 -7.323 1.00 0.00 H new ATOM 585 N PHE A 42 -6.536 -3.539 -6.764 1.00 0.00 N ATOM 586 CA PHE A 42 -6.872 -2.224 -6.232 1.00 0.00 C ATOM 587 C PHE A 42 -7.341 -1.291 -7.345 1.00 0.00 C ATOM 588 O PHE A 42 -7.272 -1.631 -8.526 1.00 0.00 O ATOM 589 CB PHE A 42 -5.665 -1.615 -5.516 1.00 0.00 C ATOM 590 CG PHE A 42 -5.292 -2.335 -4.251 1.00 0.00 C ATOM 591 CD1 PHE A 42 -6.095 -2.246 -3.125 1.00 0.00 C ATOM 592 CD2 PHE A 42 -4.140 -3.102 -4.189 1.00 0.00 C ATOM 593 CE1 PHE A 42 -5.755 -2.907 -1.960 1.00 0.00 C ATOM 594 CE2 PHE A 42 -3.795 -3.766 -3.026 1.00 0.00 C ATOM 595 CZ PHE A 42 -4.603 -3.667 -1.910 1.00 0.00 C ATOM 0 H PHE A 42 -6.001 -3.519 -7.632 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.685 -2.347 -5.517 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.811 -1.620 -6.193 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.880 -0.572 -5.281 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.997 -1.653 -3.158 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.504 -3.182 -5.058 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.390 -2.829 -1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.895 -4.361 -2.990 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.334 -4.183 -1.000 1.00 0.00 H new ATOM 605 N CYS A 43 -7.819 -0.113 -6.958 1.00 0.00 N ATOM 606 CA CYS A 43 -8.301 0.871 -7.921 1.00 0.00 C ATOM 607 C CYS A 43 -7.243 1.938 -8.184 1.00 0.00 C ATOM 608 O CYS A 43 -6.571 2.403 -7.262 1.00 0.00 O ATOM 609 CB CYS A 43 -9.587 1.525 -7.412 1.00 0.00 C ATOM 610 SG CYS A 43 -9.315 3.043 -6.442 1.00 0.00 S ATOM 0 H CYS A 43 -7.883 0.184 -5.984 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.510 0.354 -8.858 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.224 1.760 -8.264 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.129 0.806 -6.798 1.00 0.00 H new ATOM 615 N LEU A 44 -7.101 2.324 -9.447 1.00 0.00 N ATOM 616 CA LEU A 44 -6.125 3.337 -9.833 1.00 0.00 C ATOM 617 C LEU A 44 -6.212 4.553 -8.916 1.00 0.00 C ATOM 618 O LEU A 44 -5.197 5.045 -8.420 1.00 0.00 O ATOM 619 CB LEU A 44 -6.349 3.763 -11.285 1.00 0.00 C ATOM 620 CG LEU A 44 -5.257 4.636 -11.904 1.00 0.00 C ATOM 621 CD1 LEU A 44 -3.998 3.820 -12.154 1.00 0.00 C ATOM 622 CD2 LEU A 44 -5.750 5.268 -13.198 1.00 0.00 C ATOM 0 H LEU A 44 -7.650 1.951 -10.222 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.130 2.902 -9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.457 2.865 -11.894 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.294 4.303 -11.343 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.015 5.434 -11.202 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.232 4.458 -12.595 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.634 3.415 -11.210 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.225 3.001 -12.837 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.960 5.886 -13.625 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.020 4.484 -13.906 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.623 5.887 -12.991 1.00 0.00 H new ATOM 634 N LYS A 45 -7.430 5.033 -8.691 1.00 0.00 N ATOM 635 CA LYS A 45 -7.651 6.189 -7.831 1.00 0.00 C ATOM 636 C LYS A 45 -6.951 6.010 -6.488 1.00 0.00 C ATOM 637 O LYS A 45 -6.601 6.986 -5.823 1.00 0.00 O ATOM 638 CB LYS A 45 -9.150 6.408 -7.611 1.00 0.00 C ATOM 639 CG LYS A 45 -9.484 7.016 -6.260 1.00 0.00 C ATOM 640 CD LYS A 45 -9.037 8.465 -6.174 1.00 0.00 C ATOM 641 CE LYS A 45 -10.168 9.419 -6.529 1.00 0.00 C ATOM 642 NZ LYS A 45 -10.219 9.698 -7.991 1.00 0.00 N ATOM 0 H LYS A 45 -8.280 4.639 -9.093 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.231 7.064 -8.326 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.533 7.058 -8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.666 5.453 -7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.559 6.955 -6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.002 6.438 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.683 8.678 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.196 8.628 -6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.118 8.992 -6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.038 10.355 -5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.764 10.568 -8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.252 9.819 -8.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.677 8.903 -8.480 1.00 0.00 H new ATOM 656 N CYS A 46 -6.747 4.757 -6.095 1.00 0.00 N ATOM 657 CA CYS A 46 -6.087 4.450 -4.832 1.00 0.00 C ATOM 658 C CYS A 46 -4.591 4.234 -5.038 1.00 0.00 C ATOM 659 O CYS A 46 -3.770 5.033 -4.586 1.00 0.00 O ATOM 660 CB CYS A 46 -6.710 3.205 -4.197 1.00 0.00 C ATOM 661 SG CYS A 46 -8.079 3.561 -3.050 1.00 0.00 S ATOM 0 H CYS A 46 -7.029 3.938 -6.633 1.00 0.00 H new ATOM 0 HA CYS A 46 -6.225 5.299 -4.163 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -7.074 2.550 -4.989 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.935 2.657 -3.662 1.00 0.00 H new ATOM 666 N ILE A 47 -4.244 3.150 -5.724 1.00 0.00 N ATOM 667 CA ILE A 47 -2.847 2.830 -5.991 1.00 0.00 C ATOM 668 C ILE A 47 -2.052 4.085 -6.337 1.00 0.00 C ATOM 669 O ILE A 47 -0.929 4.272 -5.867 1.00 0.00 O ATOM 670 CB ILE A 47 -2.712 1.817 -7.143 1.00 0.00 C ATOM 671 CG1 ILE A 47 -3.430 0.513 -6.791 1.00 0.00 C ATOM 672 CG2 ILE A 47 -1.245 1.555 -7.448 1.00 0.00 C ATOM 673 CD1 ILE A 47 -3.585 -0.427 -7.966 1.00 0.00 C ATOM 0 H ILE A 47 -4.911 2.479 -6.105 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.445 2.387 -5.080 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.179 2.237 -8.034 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.878 0.005 -6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.416 0.747 -6.391 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.166 0.837 -8.264 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.761 2.488 -7.737 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.755 1.152 -6.561 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.102 -1.330 -7.643 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.164 0.062 -8.750 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.601 -0.691 -8.353 1.00 0.00 H new ATOM 685 N THR A 48 -2.643 4.945 -7.160 1.00 0.00 N ATOM 686 CA THR A 48 -1.992 6.183 -7.569 1.00 0.00 C ATOM 687 C THR A 48 -1.924 7.176 -6.414 1.00 0.00 C ATOM 688 O THR A 48 -0.934 7.890 -6.256 1.00 0.00 O ATOM 689 CB THR A 48 -2.726 6.840 -8.753 1.00 0.00 C ATOM 690 OG1 THR A 48 -2.761 5.942 -9.867 1.00 0.00 O ATOM 691 CG2 THR A 48 -2.042 8.136 -9.161 1.00 0.00 C ATOM 0 H THR A 48 -3.572 4.807 -7.557 1.00 0.00 H new ATOM 0 HA THR A 48 -0.981 5.920 -7.879 1.00 0.00 H new ATOM 0 HB THR A 48 -3.745 7.068 -8.439 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.462 5.272 -9.725 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.578 8.582 -9.999 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.043 8.829 -8.319 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.014 7.927 -9.458 1.00 0.00 H new ATOM 699 N GLN A 49 -2.981 7.214 -5.609 1.00 0.00 N ATOM 700 CA GLN A 49 -3.040 8.120 -4.468 1.00 0.00 C ATOM 701 C GLN A 49 -2.006 7.737 -3.415 1.00 0.00 C ATOM 702 O GLN A 49 -1.223 8.574 -2.966 1.00 0.00 O ATOM 703 CB GLN A 49 -4.440 8.109 -3.853 1.00 0.00 C ATOM 704 CG GLN A 49 -4.524 8.831 -2.518 1.00 0.00 C ATOM 705 CD GLN A 49 -4.051 7.974 -1.360 1.00 0.00 C ATOM 706 OE1 GLN A 49 -4.363 6.785 -1.285 1.00 0.00 O ATOM 707 NE2 GLN A 49 -3.294 8.575 -0.449 1.00 0.00 N ATOM 0 H GLN A 49 -3.808 6.628 -5.726 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.815 9.126 -4.823 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.138 8.571 -4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.761 7.076 -3.719 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.923 9.739 -2.562 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.554 9.139 -2.340 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.060 9.563 -0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.947 8.049 0.353 1.00 0.00 H new ATOM 716 N ILE A 50 -2.009 6.466 -3.025 1.00 0.00 N ATOM 717 CA ILE A 50 -1.070 5.973 -2.025 1.00 0.00 C ATOM 718 C ILE A 50 0.361 6.373 -2.369 1.00 0.00 C ATOM 719 O ILE A 50 1.087 6.904 -1.529 1.00 0.00 O ATOM 720 CB ILE A 50 -1.145 4.440 -1.891 1.00 0.00 C ATOM 721 CG1 ILE A 50 -2.576 4.003 -1.571 1.00 0.00 C ATOM 722 CG2 ILE A 50 -0.184 3.955 -0.815 1.00 0.00 C ATOM 723 CD1 ILE A 50 -2.921 2.629 -2.101 1.00 0.00 C ATOM 0 H ILE A 50 -2.651 5.760 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.353 6.427 -1.075 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.853 3.992 -2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.717 4.013 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.272 4.730 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.248 2.870 -0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.834 4.239 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.449 4.408 0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.950 2.385 -1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.812 2.620 -3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.249 1.891 -1.663 1.00 0.00 H new ATOM 735 N GLY A 51 0.759 6.116 -3.611 1.00 0.00 N ATOM 736 CA GLY A 51 2.101 6.457 -4.045 1.00 0.00 C ATOM 737 C GLY A 51 2.614 7.728 -3.397 1.00 0.00 C ATOM 738 O GLY A 51 2.152 8.823 -3.714 1.00 0.00 O ATOM 0 H GLY A 51 0.176 5.678 -4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.776 5.634 -3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.110 6.576 -5.128 1.00 0.00 H new ATOM 742 N GLU A 52 3.572 7.581 -2.487 1.00 0.00 N ATOM 743 CA GLU A 52 4.146 8.726 -1.791 1.00 0.00 C ATOM 744 C GLU A 52 5.072 9.514 -2.713 1.00 0.00 C ATOM 745 O GLU A 52 5.209 9.197 -3.895 1.00 0.00 O ATOM 746 CB GLU A 52 4.914 8.266 -0.551 1.00 0.00 C ATOM 747 CG GLU A 52 4.043 7.565 0.479 1.00 0.00 C ATOM 748 CD GLU A 52 3.889 6.083 0.200 1.00 0.00 C ATOM 749 OE1 GLU A 52 4.775 5.306 0.614 1.00 0.00 O ATOM 750 OE2 GLU A 52 2.882 5.699 -0.432 1.00 0.00 O ATOM 0 H GLU A 52 3.967 6.681 -2.215 1.00 0.00 H new ATOM 0 HA GLU A 52 3.329 9.377 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.713 7.591 -0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.388 9.130 -0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.477 7.701 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.058 8.032 0.495 1.00 0.00 H new ATOM 757 N THR A 53 5.707 10.545 -2.164 1.00 0.00 N ATOM 758 CA THR A 53 6.619 11.380 -2.935 1.00 0.00 C ATOM 759 C THR A 53 7.985 10.718 -3.077 1.00 0.00 C ATOM 760 O THR A 53 9.019 11.366 -2.917 1.00 0.00 O ATOM 761 CB THR A 53 6.797 12.766 -2.286 1.00 0.00 C ATOM 762 OG1 THR A 53 7.680 13.568 -3.078 1.00 0.00 O ATOM 763 CG2 THR A 53 7.351 12.635 -0.876 1.00 0.00 C ATOM 0 H THR A 53 5.606 10.822 -1.187 1.00 0.00 H new ATOM 0 HA THR A 53 6.175 11.504 -3.923 1.00 0.00 H new ATOM 0 HB THR A 53 5.820 13.246 -2.233 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.482 13.050 -3.299 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.468 13.626 -0.438 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.663 12.048 -0.268 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.320 12.137 -0.911 1.00 0.00 H new ATOM 771 N SER A 54 7.981 9.423 -3.377 1.00 0.00 N ATOM 772 CA SER A 54 9.221 8.673 -3.537 1.00 0.00 C ATOM 773 C SER A 54 9.296 8.036 -4.922 1.00 0.00 C ATOM 774 O SER A 54 8.346 8.109 -5.703 1.00 0.00 O ATOM 775 CB SER A 54 9.330 7.592 -2.460 1.00 0.00 C ATOM 776 OG SER A 54 8.279 6.648 -2.576 1.00 0.00 O ATOM 0 H SER A 54 7.134 8.872 -3.514 1.00 0.00 H new ATOM 0 HA SER A 54 10.054 9.368 -3.430 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.290 7.084 -2.546 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.301 8.054 -1.473 1.00 0.00 H new ATOM 0 HG SER A 54 8.236 6.104 -1.762 1.00 0.00 H new ATOM 782 N CYS A 55 10.430 7.411 -5.218 1.00 0.00 N ATOM 783 CA CYS A 55 10.631 6.762 -6.508 1.00 0.00 C ATOM 784 C CYS A 55 9.808 5.481 -6.606 1.00 0.00 C ATOM 785 O CYS A 55 10.298 4.392 -6.309 1.00 0.00 O ATOM 786 CB CYS A 55 12.113 6.448 -6.720 1.00 0.00 C ATOM 787 SG CYS A 55 13.128 7.897 -7.094 1.00 0.00 S ATOM 0 H CYS A 55 11.224 7.340 -4.582 1.00 0.00 H new ATOM 0 HA CYS A 55 10.298 7.447 -7.287 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.503 5.966 -5.824 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.208 5.731 -7.535 1.00 0.00 H new ATOM 0 HG CYS A 55 14.365 7.531 -7.254 1.00 0.00 H new ATOM 793 N GLY A 56 8.554 5.620 -7.024 1.00 0.00 N ATOM 794 CA GLY A 56 7.682 4.466 -7.151 1.00 0.00 C ATOM 795 C GLY A 56 7.914 3.441 -6.058 1.00 0.00 C ATOM 796 O GLY A 56 8.297 2.304 -6.334 1.00 0.00 O ATOM 0 H GLY A 56 8.126 6.511 -7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.643 4.795 -7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.842 3.999 -8.123 1.00 0.00 H new ATOM 800 N PHE A 57 7.682 3.844 -4.813 1.00 0.00 N ATOM 801 CA PHE A 57 7.870 2.953 -3.674 1.00 0.00 C ATOM 802 C PHE A 57 6.663 3.001 -2.742 1.00 0.00 C ATOM 803 O PHE A 57 6.630 3.781 -1.790 1.00 0.00 O ATOM 804 CB PHE A 57 9.137 3.333 -2.906 1.00 0.00 C ATOM 805 CG PHE A 57 10.405 3.000 -3.639 1.00 0.00 C ATOM 806 CD1 PHE A 57 10.597 1.738 -4.179 1.00 0.00 C ATOM 807 CD2 PHE A 57 11.405 3.947 -3.787 1.00 0.00 C ATOM 808 CE1 PHE A 57 11.763 1.428 -4.855 1.00 0.00 C ATOM 809 CE2 PHE A 57 12.573 3.643 -4.461 1.00 0.00 C ATOM 810 CZ PHE A 57 12.752 2.381 -4.995 1.00 0.00 C ATOM 0 H PHE A 57 7.364 4.781 -4.567 1.00 0.00 H new ATOM 0 HA PHE A 57 7.975 1.936 -4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.118 4.402 -2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.137 2.820 -1.944 1.00 0.00 H new ATOM 0 HD1 PHE A 57 9.827 0.988 -4.071 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.271 4.935 -3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.900 0.442 -5.273 1.00 0.00 H new ATOM 0 HE2 PHE A 57 13.345 4.391 -4.570 1.00 0.00 H new ATOM 0 HZ PHE A 57 13.664 2.141 -5.521 1.00 0.00 H new ATOM 820 N PHE A 58 5.673 2.160 -3.022 1.00 0.00 N ATOM 821 CA PHE A 58 4.462 2.106 -2.210 1.00 0.00 C ATOM 822 C PHE A 58 4.065 0.662 -1.922 1.00 0.00 C ATOM 823 O PHE A 58 3.914 -0.148 -2.838 1.00 0.00 O ATOM 824 CB PHE A 58 3.316 2.832 -2.918 1.00 0.00 C ATOM 825 CG PHE A 58 2.623 1.992 -3.953 1.00 0.00 C ATOM 826 CD1 PHE A 58 3.126 1.902 -5.241 1.00 0.00 C ATOM 827 CD2 PHE A 58 1.469 1.293 -3.638 1.00 0.00 C ATOM 828 CE1 PHE A 58 2.492 1.130 -6.196 1.00 0.00 C ATOM 829 CE2 PHE A 58 0.831 0.519 -4.588 1.00 0.00 C ATOM 830 CZ PHE A 58 1.342 0.438 -5.869 1.00 0.00 C ATOM 0 H PHE A 58 5.685 1.506 -3.805 1.00 0.00 H new ATOM 0 HA PHE A 58 4.667 2.603 -1.262 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.586 3.154 -2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.705 3.732 -3.393 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.024 2.442 -5.502 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.064 1.354 -2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.895 1.068 -7.196 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.067 -0.023 -4.329 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.843 -0.165 -6.613 1.00 0.00 H new ATOM 840 N LYS A 59 3.897 0.345 -0.643 1.00 0.00 N ATOM 841 CA LYS A 59 3.516 -1.001 -0.231 1.00 0.00 C ATOM 842 C LYS A 59 2.007 -1.196 -0.338 1.00 0.00 C ATOM 843 O LYS A 59 1.269 -0.258 -0.642 1.00 0.00 O ATOM 844 CB LYS A 59 3.975 -1.267 1.204 1.00 0.00 C ATOM 845 CG LYS A 59 3.381 -0.307 2.220 1.00 0.00 C ATOM 846 CD LYS A 59 2.058 -0.819 2.765 1.00 0.00 C ATOM 847 CE LYS A 59 2.269 -1.863 3.851 1.00 0.00 C ATOM 848 NZ LYS A 59 2.641 -1.242 5.152 1.00 0.00 N ATOM 0 H LYS A 59 4.019 1.003 0.127 1.00 0.00 H new ATOM 0 HA LYS A 59 4.005 -1.710 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.706 -2.287 1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.062 -1.201 1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.083 -0.165 3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.231 0.668 1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.482 0.014 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.471 -1.250 1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.357 -2.447 3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.052 -2.555 3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.224 -1.791 5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.676 -1.235 5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.283 -0.266 5.186 1.00 0.00 H new ATOM 862 N CYS A 60 1.553 -2.419 -0.084 1.00 0.00 N ATOM 863 CA CYS A 60 0.132 -2.738 -0.150 1.00 0.00 C ATOM 864 C CYS A 60 -0.514 -2.630 1.228 1.00 0.00 C ATOM 865 O CYS A 60 0.041 -3.066 2.237 1.00 0.00 O ATOM 866 CB CYS A 60 -0.071 -4.146 -0.712 1.00 0.00 C ATOM 867 SG CYS A 60 -1.789 -4.742 -0.621 1.00 0.00 S ATOM 0 H CYS A 60 2.150 -3.206 0.170 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.346 -2.017 -0.814 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.253 -4.160 -1.753 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.572 -4.839 -0.169 1.00 0.00 H new ATOM 872 N PRO A 61 -1.716 -2.036 1.273 1.00 0.00 N ATOM 873 CA PRO A 61 -2.464 -1.858 2.521 1.00 0.00 C ATOM 874 C PRO A 61 -2.987 -3.178 3.077 1.00 0.00 C ATOM 875 O PRO A 61 -2.949 -3.413 4.285 1.00 0.00 O ATOM 876 CB PRO A 61 -3.628 -0.952 2.110 1.00 0.00 C ATOM 877 CG PRO A 61 -3.809 -1.205 0.653 1.00 0.00 C ATOM 878 CD PRO A 61 -2.436 -1.493 0.110 1.00 0.00 C ATOM 0 HA PRO A 61 -1.842 -1.443 3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.533 -1.192 2.669 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.402 0.096 2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.480 -2.047 0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.251 -0.340 0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.471 -2.209 -0.711 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.958 -0.591 -0.273 1.00 0.00 H new ATOM 886 N LEU A 62 -3.475 -4.037 2.188 1.00 0.00 N ATOM 887 CA LEU A 62 -4.005 -5.335 2.590 1.00 0.00 C ATOM 888 C LEU A 62 -2.909 -6.208 3.192 1.00 0.00 C ATOM 889 O LEU A 62 -3.101 -6.832 4.237 1.00 0.00 O ATOM 890 CB LEU A 62 -4.637 -6.043 1.391 1.00 0.00 C ATOM 891 CG LEU A 62 -6.030 -5.561 0.984 1.00 0.00 C ATOM 892 CD1 LEU A 62 -6.492 -6.270 -0.280 1.00 0.00 C ATOM 893 CD2 LEU A 62 -7.023 -5.782 2.115 1.00 0.00 C ATOM 0 H LEU A 62 -3.514 -3.858 1.185 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.769 -5.169 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.971 -5.930 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.694 -7.109 1.612 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.977 -4.492 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.485 -5.914 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.794 -6.060 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.528 -7.345 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.009 -5.433 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.072 -6.844 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.700 -5.227 2.996 1.00 0.00 H new ATOM 905 N CYS A 63 -1.760 -6.248 2.527 1.00 0.00 N ATOM 906 CA CYS A 63 -0.631 -7.043 2.996 1.00 0.00 C ATOM 907 C CYS A 63 0.660 -6.230 2.958 1.00 0.00 C ATOM 908 O CYS A 63 0.818 -5.332 2.132 1.00 0.00 O ATOM 909 CB CYS A 63 -0.479 -8.303 2.142 1.00 0.00 C ATOM 910 SG CYS A 63 0.022 -7.979 0.421 1.00 0.00 S ATOM 0 H CYS A 63 -1.586 -5.739 1.661 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.826 -7.333 4.028 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.259 -8.957 2.607 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.426 -8.843 2.138 1.00 0.00 H new ATOM 915 N LYS A 64 1.582 -6.553 3.859 1.00 0.00 N ATOM 916 CA LYS A 64 2.860 -5.855 3.930 1.00 0.00 C ATOM 917 C LYS A 64 3.901 -6.537 3.048 1.00 0.00 C ATOM 918 O LYS A 64 4.735 -7.304 3.532 1.00 0.00 O ATOM 919 CB LYS A 64 3.357 -5.804 5.376 1.00 0.00 C ATOM 920 CG LYS A 64 4.761 -5.241 5.518 1.00 0.00 C ATOM 921 CD LYS A 64 4.741 -3.734 5.711 1.00 0.00 C ATOM 922 CE LYS A 64 4.621 -3.362 7.181 1.00 0.00 C ATOM 923 NZ LYS A 64 5.931 -3.446 7.883 1.00 0.00 N ATOM 0 H LYS A 64 1.468 -7.294 4.550 1.00 0.00 H new ATOM 0 HA LYS A 64 2.711 -4.838 3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.670 -5.197 5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.334 -6.810 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.258 -5.711 6.367 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.344 -5.487 4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.652 -3.301 5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.906 -3.306 5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.226 -2.350 7.268 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.906 -4.026 7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.807 -3.185 8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.296 -4.418 7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.607 -2.794 7.436 1.00 0.00 H new ATOM 937 N THR A 65 3.849 -6.252 1.750 1.00 0.00 N ATOM 938 CA THR A 65 4.787 -6.837 0.801 1.00 0.00 C ATOM 939 C THR A 65 5.722 -5.778 0.228 1.00 0.00 C ATOM 940 O THR A 65 5.296 -4.901 -0.523 1.00 0.00 O ATOM 941 CB THR A 65 4.051 -7.537 -0.358 1.00 0.00 C ATOM 942 OG1 THR A 65 3.047 -8.416 0.160 1.00 0.00 O ATOM 943 CG2 THR A 65 5.026 -8.324 -1.221 1.00 0.00 C ATOM 0 H THR A 65 3.167 -5.619 1.333 1.00 0.00 H new ATOM 0 HA THR A 65 5.372 -7.576 1.349 1.00 0.00 H new ATOM 0 HB THR A 65 3.580 -6.772 -0.976 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.188 -7.946 0.196 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.484 -8.809 -2.032 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.772 -7.647 -1.637 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.522 -9.080 -0.613 1.00 0.00 H new ATOM 951 N SER A 66 6.999 -5.866 0.587 1.00 0.00 N ATOM 952 CA SER A 66 7.994 -4.913 0.110 1.00 0.00 C ATOM 953 C SER A 66 8.378 -5.205 -1.337 1.00 0.00 C ATOM 954 O SER A 66 9.139 -6.132 -1.615 1.00 0.00 O ATOM 955 CB SER A 66 9.239 -4.956 0.998 1.00 0.00 C ATOM 956 OG SER A 66 9.038 -4.223 2.195 1.00 0.00 O ATOM 0 H SER A 66 7.369 -6.587 1.206 1.00 0.00 H new ATOM 0 HA SER A 66 7.556 -3.916 0.157 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.482 -5.991 1.238 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.091 -4.546 0.455 1.00 0.00 H new ATOM 0 HG SER A 66 9.847 -4.268 2.746 1.00 0.00 H new ATOM 962 N VAL A 67 7.844 -4.408 -2.257 1.00 0.00 N ATOM 963 CA VAL A 67 8.130 -4.579 -3.676 1.00 0.00 C ATOM 964 C VAL A 67 8.623 -3.277 -4.299 1.00 0.00 C ATOM 965 O VAL A 67 8.042 -2.214 -4.080 1.00 0.00 O ATOM 966 CB VAL A 67 6.887 -5.064 -4.445 1.00 0.00 C ATOM 967 CG1 VAL A 67 6.456 -6.437 -3.952 1.00 0.00 C ATOM 968 CG2 VAL A 67 5.752 -4.060 -4.310 1.00 0.00 C ATOM 0 H VAL A 67 7.211 -3.637 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 67 8.913 -5.334 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 67 7.144 -5.148 -5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.576 -6.763 -4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.267 -7.150 -4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.216 -6.383 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.882 -4.419 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.494 -3.942 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.066 -3.099 -4.716 1.00 0.00 H new ATOM 978 N ARG A 68 9.698 -3.369 -5.075 1.00 0.00 N ATOM 979 CA ARG A 68 10.269 -2.198 -5.729 1.00 0.00 C ATOM 980 C ARG A 68 9.741 -2.058 -7.153 1.00 0.00 C ATOM 981 O ARG A 68 9.642 -3.040 -7.890 1.00 0.00 O ATOM 982 CB ARG A 68 11.796 -2.292 -5.747 1.00 0.00 C ATOM 983 CG ARG A 68 12.434 -2.106 -4.381 1.00 0.00 C ATOM 984 CD ARG A 68 13.937 -2.331 -4.432 1.00 0.00 C ATOM 985 NE ARG A 68 14.493 -2.619 -3.113 1.00 0.00 N ATOM 986 CZ ARG A 68 15.609 -3.314 -2.921 1.00 0.00 C ATOM 987 NH1 ARG A 68 16.285 -3.789 -3.958 1.00 0.00 N ATOM 988 NH2 ARG A 68 16.051 -3.535 -1.690 1.00 0.00 N ATOM 0 H ARG A 68 10.191 -4.242 -5.266 1.00 0.00 H new ATOM 0 HA ARG A 68 9.972 -1.316 -5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.087 -3.264 -6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.190 -1.538 -6.428 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.228 -1.100 -4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.985 -2.801 -3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.157 -3.159 -5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.422 -1.446 -4.844 1.00 0.00 H new ATOM 0 HE ARG A 68 13.997 -2.267 -2.294 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.949 -3.621 -4.906 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.141 -4.322 -3.808 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.534 -3.171 -0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.908 -4.069 -1.544 1.00 0.00 H new ATOM 1002 N LYS A 69 9.400 -0.832 -7.535 1.00 0.00 N ATOM 1003 CA LYS A 69 8.882 -0.562 -8.871 1.00 0.00 C ATOM 1004 C LYS A 69 10.019 -0.427 -9.879 1.00 0.00 C ATOM 1005 O LYS A 69 9.988 0.440 -10.751 1.00 0.00 O ATOM 1006 CB LYS A 69 8.038 0.714 -8.865 1.00 0.00 C ATOM 1007 CG LYS A 69 7.036 0.787 -10.004 1.00 0.00 C ATOM 1008 CD LYS A 69 5.930 1.787 -9.711 1.00 0.00 C ATOM 1009 CE LYS A 69 4.636 1.409 -10.415 1.00 0.00 C ATOM 1010 NZ LYS A 69 4.100 0.107 -9.930 1.00 0.00 N ATOM 0 H LYS A 69 9.473 -0.009 -6.937 1.00 0.00 H new ATOM 0 HA LYS A 69 8.256 -1.403 -9.167 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.504 0.781 -7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.701 1.578 -8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 69 7.549 1.070 -10.923 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.602 -0.199 -10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.759 1.837 -8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.243 2.781 -10.031 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.893 2.190 -10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.810 1.352 -11.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.075 0.069 -10.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.565 -0.671 -10.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.286 0.013 -8.911 1.00 0.00 H new ATOM 1024 N ASN A 70 11.020 -1.292 -9.754 1.00 0.00 N ATOM 1025 CA ASN A 70 12.167 -1.270 -10.655 1.00 0.00 C ATOM 1026 C ASN A 70 11.948 -2.209 -11.836 1.00 0.00 C ATOM 1027 O ASN A 70 11.954 -1.783 -12.991 1.00 0.00 O ATOM 1028 CB ASN A 70 13.440 -1.664 -9.903 1.00 0.00 C ATOM 1029 CG ASN A 70 13.896 -0.590 -8.935 1.00 0.00 C ATOM 1030 OD1 ASN A 70 13.819 -0.763 -7.718 1.00 0.00 O ATOM 1031 ND2 ASN A 70 14.374 0.526 -9.472 1.00 0.00 N ATOM 0 H ASN A 70 11.060 -2.017 -9.038 1.00 0.00 H new ATOM 0 HA ASN A 70 12.279 -0.255 -11.037 1.00 0.00 H new ATOM 0 HB2 ASN A 70 13.264 -2.591 -9.357 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.236 -1.864 -10.621 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.696 1.284 -8.870 1.00 0.00 H new ATOM 0 HD22 ASN A 70 14.419 0.625 -10.486 1.00 0.00 H new ATOM 1038 N ALA A 71 11.755 -3.490 -11.539 1.00 0.00 N ATOM 1039 CA ALA A 71 11.532 -4.490 -12.576 1.00 0.00 C ATOM 1040 C ALA A 71 10.240 -4.213 -13.336 1.00 0.00 C ATOM 1041 O ALA A 71 9.487 -3.303 -12.988 1.00 0.00 O ATOM 1042 CB ALA A 71 11.501 -5.884 -11.967 1.00 0.00 C ATOM 0 H ALA A 71 11.749 -3.860 -10.588 1.00 0.00 H new ATOM 0 HA ALA A 71 12.358 -4.434 -13.285 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.334 -6.621 -12.753 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.452 -6.087 -11.475 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.695 -5.944 -11.236 1.00 0.00 H new ATOM 1048 N ILE A 72 9.989 -5.003 -14.375 1.00 0.00 N ATOM 1049 CA ILE A 72 8.787 -4.843 -15.184 1.00 0.00 C ATOM 1050 C ILE A 72 7.531 -4.911 -14.321 1.00 0.00 C ATOM 1051 O ILE A 72 7.514 -5.574 -13.284 1.00 0.00 O ATOM 1052 CB ILE A 72 8.700 -5.917 -16.283 1.00 0.00 C ATOM 1053 CG1 ILE A 72 7.465 -5.687 -17.156 1.00 0.00 C ATOM 1054 CG2 ILE A 72 8.667 -7.307 -15.664 1.00 0.00 C ATOM 1055 CD1 ILE A 72 7.496 -6.451 -18.461 1.00 0.00 C ATOM 0 H ILE A 72 10.602 -5.760 -14.676 1.00 0.00 H new ATOM 0 HA ILE A 72 8.851 -3.861 -15.653 1.00 0.00 H new ATOM 0 HB ILE A 72 9.586 -5.842 -16.914 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.576 -5.976 -16.596 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.375 -4.622 -17.370 1.00 0.00 H new ATOM 0 HG21 ILE A 72 8.605 -8.056 -16.454 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.574 -7.468 -15.082 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.798 -7.395 -15.012 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.589 -6.240 -19.028 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.366 -6.145 -19.041 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.555 -7.520 -18.256 1.00 0.00 H new ATOM 1067 N ARG A 73 6.482 -4.223 -14.758 1.00 0.00 N ATOM 1068 CA ARG A 73 5.221 -4.206 -14.026 1.00 0.00 C ATOM 1069 C ARG A 73 4.873 -5.599 -13.510 1.00 0.00 C ATOM 1070 O ARG A 73 5.344 -6.604 -14.042 1.00 0.00 O ATOM 1071 CB ARG A 73 4.094 -3.686 -14.922 1.00 0.00 C ATOM 1072 CG ARG A 73 2.993 -2.968 -14.159 1.00 0.00 C ATOM 1073 CD ARG A 73 1.985 -3.948 -13.581 1.00 0.00 C ATOM 1074 NE ARG A 73 1.298 -4.706 -14.623 1.00 0.00 N ATOM 1075 CZ ARG A 73 0.148 -5.342 -14.432 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -0.441 -5.312 -13.244 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -0.416 -6.010 -15.430 1.00 0.00 N ATOM 0 H ARG A 73 6.480 -3.670 -15.615 1.00 0.00 H new ATOM 0 HA ARG A 73 5.335 -3.539 -13.172 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.514 -3.006 -15.663 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.660 -4.523 -15.468 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.432 -2.379 -13.354 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.484 -2.270 -14.824 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.495 -4.637 -12.908 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.252 -3.404 -12.985 1.00 0.00 H new ATOM 0 HE ARG A 73 1.725 -4.749 -15.548 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.011 -4.799 -12.474 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.324 -5.801 -13.100 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.034 -6.035 -16.345 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.299 -6.498 -15.282 1.00 0.00 H new TER 1091 ARG A 73 HETATM 1092 ZN ZN A 201 -9.738 2.529 -4.188 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 -1.456 -7.038 -0.994 1.00 0.00 ZN