USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 850 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 83 SER OG : rot 99:sc= -0.826 USER MOD Set 1.2: A 88 LYS NZ :NH3+ -147:sc= -0.645 (180deg=-0.704) USER MOD Set 2.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 29 ASN :FLIP amide:sc= -4.7! C(o=-5.8!,f=-4.7!) USER MOD Single : A 1 MET CE :methyl 152:sc= -0.471 (180deg=-1.35!) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.291 (180deg=-1.77) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.824 F(o=-2.6!,f=-0.82) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 72:sc= -0.0293 USER MOD Single : A 19 HIS : no HD1:sc= -0.0893 X(o=-0.089,f=-0.33) USER MOD Single : A 20 GLN : amide:sc= -3.11! C(o=-3.1!,f=-3.2!) USER MOD Single : A 24 TYR OH : rot -60:sc= -0.885 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -154:sc= -0.541 (180deg=-2.02!) USER MOD Single : A 39 GLN : amide:sc= -2.12 K(o=-2.1,f=-4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 175:sc= -4.6 (180deg=-4.68!) USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= 1.05 (180deg=1.04) USER MOD Single : A 56 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.23) USER MOD Single : A 59 ASN : amide:sc= -0.872 K(o=-0.87,f=-2.3!) USER MOD Single : A 62 THR OG1 : rot 67:sc= -5.5! USER MOD Single : A 63 THR OG1 : rot -161:sc= -1.5! USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot -9:sc= -5.24! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 90:sc= 0.0669 USER MOD Single : A 76 LYS NZ :NH3+ 143:sc= -0.73 (180deg=-2.3!) USER MOD Single : A 80 MET CE :methyl -174:sc= -4.31! (180deg=-4.69!) USER MOD Single : A 86 LYS NZ :NH3+ -141:sc= -0.194 (180deg=-0.771) USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 92 SER OG : rot 180:sc= -0.194 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.039 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.650 -23.374 -6.470 1.00 0.00 N ATOM 2 CA MET A 1 -20.741 -23.669 -5.011 1.00 0.00 C ATOM 3 C MET A 1 -19.533 -23.077 -4.277 1.00 0.00 C ATOM 4 O MET A 1 -18.397 -23.375 -4.589 1.00 0.00 O ATOM 5 CB MET A 1 -20.732 -25.194 -4.914 1.00 0.00 C ATOM 6 CG MET A 1 -19.519 -25.747 -5.664 1.00 0.00 C ATOM 7 SD MET A 1 -20.068 -26.553 -7.188 1.00 0.00 S ATOM 8 CE MET A 1 -18.975 -25.663 -8.322 1.00 0.00 C ATOM 0 H1 MET A 1 -20.877 -24.232 -7.012 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.324 -22.621 -6.715 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.685 -23.063 -6.702 1.00 0.00 H new ATOM 0 HA MET A 1 -21.633 -23.237 -4.556 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.698 -25.502 -3.869 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.651 -25.601 -5.337 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.823 -24.941 -5.897 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.983 -26.459 -5.036 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.765 -26.288 -9.190 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.459 -24.742 -8.646 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.041 -25.422 -7.814 1.00 0.00 H new ATOM 20 N ALA A 2 -19.771 -22.241 -3.304 1.00 0.00 N ATOM 21 CA ALA A 2 -18.637 -21.630 -2.553 1.00 0.00 C ATOM 22 C ALA A 2 -19.162 -20.844 -1.348 1.00 0.00 C ATOM 23 O ALA A 2 -19.105 -21.302 -0.224 1.00 0.00 O ATOM 24 CB ALA A 2 -17.959 -20.692 -3.552 1.00 0.00 C ATOM 0 H ALA A 2 -20.700 -21.955 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 2 -17.947 -22.380 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.111 -20.202 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.610 -21.266 -4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.672 -19.938 -3.885 1.00 0.00 H new ATOM 30 N GLU A 3 -19.671 -19.665 -1.574 1.00 0.00 N ATOM 31 CA GLU A 3 -20.198 -18.851 -0.442 1.00 0.00 C ATOM 32 C GLU A 3 -19.140 -18.730 0.660 1.00 0.00 C ATOM 33 O GLU A 3 -19.375 -19.079 1.800 1.00 0.00 O ATOM 34 CB GLU A 3 -21.416 -19.621 0.067 1.00 0.00 C ATOM 35 CG GLU A 3 -22.586 -18.655 0.263 1.00 0.00 C ATOM 36 CD GLU A 3 -23.465 -19.143 1.415 1.00 0.00 C ATOM 37 OE1 GLU A 3 -24.192 -20.102 1.215 1.00 0.00 O ATOM 38 OE2 GLU A 3 -23.397 -18.550 2.479 1.00 0.00 O ATOM 0 H GLU A 3 -19.745 -19.229 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 3 -20.456 -17.837 -0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -21.690 -20.401 -0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -21.179 -20.117 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -22.212 -17.653 0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -23.173 -18.588 -0.653 1.00 0.00 H new ATOM 45 N ASN A 4 -17.978 -18.241 0.325 1.00 0.00 N ATOM 46 CA ASN A 4 -16.905 -18.100 1.352 1.00 0.00 C ATOM 47 C ASN A 4 -17.272 -17.002 2.354 1.00 0.00 C ATOM 48 O ASN A 4 -17.769 -17.272 3.429 1.00 0.00 O ATOM 49 CB ASN A 4 -15.654 -17.711 0.564 1.00 0.00 C ATOM 50 CG ASN A 4 -14.796 -18.953 0.322 1.00 0.00 C ATOM 51 OD1 ASN A 4 -14.811 -19.516 -0.755 1.00 0.00 O ATOM 52 ND2 ASN A 4 -14.041 -19.409 1.284 1.00 0.00 N ATOM 0 H ASN A 4 -17.724 -17.933 -0.614 1.00 0.00 H new ATOM 0 HA ASN A 4 -16.758 -19.015 1.925 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -15.936 -17.260 -0.387 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -15.083 -16.963 1.114 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.465 -20.237 1.131 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -14.027 -18.938 2.188 1.00 0.00 H new ATOM 59 N GLY A 5 -17.030 -15.766 2.011 1.00 0.00 N ATOM 60 CA GLY A 5 -17.364 -14.655 2.945 1.00 0.00 C ATOM 61 C GLY A 5 -17.918 -13.469 2.153 1.00 0.00 C ATOM 62 O GLY A 5 -18.496 -13.631 1.098 1.00 0.00 O ATOM 0 H GLY A 5 -16.616 -15.478 1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -18.098 -14.991 3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -16.475 -14.352 3.499 1.00 0.00 H new ATOM 66 N ASP A 6 -17.745 -12.276 2.655 1.00 0.00 N ATOM 67 CA ASP A 6 -18.263 -11.080 1.930 1.00 0.00 C ATOM 68 C ASP A 6 -17.100 -10.201 1.462 1.00 0.00 C ATOM 69 O ASP A 6 -17.293 -9.086 1.017 1.00 0.00 O ATOM 70 CB ASP A 6 -19.119 -10.336 2.955 1.00 0.00 C ATOM 71 CG ASP A 6 -20.600 -10.574 2.652 1.00 0.00 C ATOM 72 OD1 ASP A 6 -21.021 -11.718 2.712 1.00 0.00 O ATOM 73 OD2 ASP A 6 -21.288 -9.608 2.364 1.00 0.00 O ATOM 0 H ASP A 6 -17.268 -12.078 3.535 1.00 0.00 H new ATOM 0 HA ASP A 6 -18.834 -11.350 1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -18.883 -10.682 3.961 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -18.897 -9.269 2.924 1.00 0.00 H new ATOM 78 N ASN A 7 -15.896 -10.693 1.555 1.00 0.00 N ATOM 79 CA ASN A 7 -14.723 -9.884 1.114 1.00 0.00 C ATOM 80 C ASN A 7 -14.640 -8.588 1.924 1.00 0.00 C ATOM 81 O ASN A 7 -13.926 -7.669 1.573 1.00 0.00 O ATOM 82 CB ASN A 7 -14.988 -9.578 -0.361 1.00 0.00 C ATOM 83 CG ASN A 7 -13.773 -9.991 -1.194 1.00 0.00 C ATOM 84 OD1 ASN A 7 -12.577 -9.886 -0.682 1.00 0.00 O flip ATOM 85 ND2 ASN A 7 -13.914 -10.414 -2.325 1.00 0.00 N flip ATOM 0 H ASN A 7 -15.672 -11.620 1.917 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.779 -10.410 1.259 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -15.874 -10.114 -0.701 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -15.188 -8.515 -0.493 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.848 -10.496 -2.726 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -13.098 -10.687 -2.873 1.00 0.00 H new ATOM 92 N GLU A 8 -15.363 -8.505 3.008 1.00 0.00 N ATOM 93 CA GLU A 8 -15.324 -7.268 3.838 1.00 0.00 C ATOM 94 C GLU A 8 -13.925 -7.067 4.425 1.00 0.00 C ATOM 95 O GLU A 8 -13.464 -5.955 4.589 1.00 0.00 O ATOM 96 CB GLU A 8 -16.345 -7.506 4.952 1.00 0.00 C ATOM 97 CG GLU A 8 -17.201 -6.252 5.138 1.00 0.00 C ATOM 98 CD GLU A 8 -18.682 -6.630 5.079 1.00 0.00 C ATOM 99 OE1 GLU A 8 -19.039 -7.637 5.668 1.00 0.00 O ATOM 100 OE2 GLU A 8 -19.434 -5.907 4.446 1.00 0.00 O ATOM 0 H GLU A 8 -15.979 -9.241 3.354 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.555 -6.375 3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.978 -8.358 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.833 -7.751 5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.973 -5.782 6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.970 -5.523 4.361 1.00 0.00 H new ATOM 107 N LYS A 9 -13.246 -8.135 4.744 1.00 0.00 N ATOM 108 CA LYS A 9 -11.877 -8.002 5.321 1.00 0.00 C ATOM 109 C LYS A 9 -10.999 -7.143 4.407 1.00 0.00 C ATOM 110 O LYS A 9 -10.202 -6.348 4.864 1.00 0.00 O ATOM 111 CB LYS A 9 -11.338 -9.431 5.396 1.00 0.00 C ATOM 112 CG LYS A 9 -9.881 -9.404 5.858 1.00 0.00 C ATOM 113 CD LYS A 9 -9.622 -10.580 6.802 1.00 0.00 C ATOM 114 CE LYS A 9 -8.123 -10.687 7.090 1.00 0.00 C ATOM 115 NZ LYS A 9 -8.027 -11.496 8.336 1.00 0.00 N ATOM 0 H LYS A 9 -13.579 -9.092 4.631 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.885 -7.519 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.939 -10.022 6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.412 -9.910 4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.215 -9.461 4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.667 -8.463 6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.172 -10.440 7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.983 -11.506 6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.596 -11.168 6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.675 -9.702 7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.027 -11.613 8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.532 -11.011 9.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.455 -12.431 8.177 1.00 0.00 H new ATOM 129 N MET A 10 -11.141 -7.294 3.119 1.00 0.00 N ATOM 130 CA MET A 10 -10.317 -6.484 2.176 1.00 0.00 C ATOM 131 C MET A 10 -10.566 -4.994 2.404 1.00 0.00 C ATOM 132 O MET A 10 -9.669 -4.181 2.303 1.00 0.00 O ATOM 133 CB MET A 10 -10.782 -6.902 0.780 1.00 0.00 C ATOM 134 CG MET A 10 -9.981 -8.120 0.318 1.00 0.00 C ATOM 135 SD MET A 10 -9.102 -7.718 -1.212 1.00 0.00 S ATOM 136 CE MET A 10 -8.242 -9.298 -1.401 1.00 0.00 C ATOM 0 H MET A 10 -11.792 -7.943 2.678 1.00 0.00 H new ATOM 0 HA MET A 10 -9.249 -6.651 2.313 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.846 -7.138 0.795 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.648 -6.078 0.079 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.272 -8.417 1.091 1.00 0.00 H new ATOM 0 HG3 MET A 10 -10.648 -8.967 0.155 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.628 -9.272 -2.301 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.607 -9.473 -0.533 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.973 -10.102 -1.483 1.00 0.00 H new ATOM 146 N ALA A 11 -11.778 -4.630 2.711 1.00 0.00 N ATOM 147 CA ALA A 11 -12.085 -3.191 2.949 1.00 0.00 C ATOM 148 C ALA A 11 -11.213 -2.654 4.085 1.00 0.00 C ATOM 149 O ALA A 11 -10.583 -1.622 3.964 1.00 0.00 O ATOM 150 CB ALA A 11 -13.562 -3.160 3.344 1.00 0.00 C ATOM 0 H ALA A 11 -12.570 -5.265 2.808 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.888 -2.573 2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.866 -2.131 3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.164 -3.570 2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.711 -3.757 4.244 1.00 0.00 H new ATOM 156 N ALA A 12 -11.163 -3.352 5.187 1.00 0.00 N ATOM 157 CA ALA A 12 -10.321 -2.886 6.324 1.00 0.00 C ATOM 158 C ALA A 12 -8.841 -3.055 5.975 1.00 0.00 C ATOM 159 O ALA A 12 -8.001 -2.281 6.388 1.00 0.00 O ATOM 160 CB ALA A 12 -10.703 -3.788 7.498 1.00 0.00 C ATOM 0 H ALA A 12 -11.668 -4.223 5.348 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.479 -1.833 6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.123 -3.506 8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.766 -3.675 7.713 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.493 -4.827 7.242 1.00 0.00 H new ATOM 166 N LEU A 13 -8.517 -4.064 5.212 1.00 0.00 N ATOM 167 CA LEU A 13 -7.093 -4.288 4.830 1.00 0.00 C ATOM 168 C LEU A 13 -6.622 -3.186 3.876 1.00 0.00 C ATOM 169 O LEU A 13 -5.471 -2.798 3.880 1.00 0.00 O ATOM 170 CB LEU A 13 -7.080 -5.647 4.130 1.00 0.00 C ATOM 171 CG LEU A 13 -5.741 -5.842 3.418 1.00 0.00 C ATOM 172 CD1 LEU A 13 -5.057 -7.102 3.952 1.00 0.00 C ATOM 173 CD2 LEU A 13 -5.980 -5.991 1.915 1.00 0.00 C ATOM 0 H LEU A 13 -9.178 -4.744 4.836 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.425 -4.268 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.237 -6.444 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.898 -5.706 3.412 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.103 -4.977 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.103 -7.241 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.886 -6.997 5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.694 -7.967 3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.026 -6.130 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.618 -6.856 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.467 -5.094 1.533 1.00 0.00 H new ATOM 185 N GLU A 14 -7.505 -2.679 3.057 1.00 0.00 N ATOM 186 CA GLU A 14 -7.107 -1.604 2.103 1.00 0.00 C ATOM 187 C GLU A 14 -6.588 -0.383 2.868 1.00 0.00 C ATOM 188 O GLU A 14 -5.577 0.195 2.522 1.00 0.00 O ATOM 189 CB GLU A 14 -8.387 -1.255 1.343 1.00 0.00 C ATOM 190 CG GLU A 14 -8.038 -0.402 0.121 1.00 0.00 C ATOM 191 CD GLU A 14 -9.228 0.493 -0.235 1.00 0.00 C ATOM 192 OE1 GLU A 14 -9.742 1.144 0.660 1.00 0.00 O ATOM 193 OE2 GLU A 14 -9.602 0.512 -1.394 1.00 0.00 O ATOM 0 H GLU A 14 -8.484 -2.963 3.008 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.308 -1.922 1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.897 -2.166 1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.073 -0.713 1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.160 0.209 0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.787 -1.044 -0.724 1.00 0.00 H new ATOM 200 N ALA A 15 -7.275 0.015 3.904 1.00 0.00 N ATOM 201 CA ALA A 15 -6.823 1.200 4.688 1.00 0.00 C ATOM 202 C ALA A 15 -5.521 0.882 5.429 1.00 0.00 C ATOM 203 O ALA A 15 -4.632 1.705 5.522 1.00 0.00 O ATOM 204 CB ALA A 15 -7.952 1.473 5.681 1.00 0.00 C ATOM 0 H ALA A 15 -8.129 -0.429 4.241 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.622 2.062 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.694 2.334 6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.873 1.679 5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.095 0.600 6.318 1.00 0.00 H new ATOM 210 N LYS A 16 -5.401 -0.306 5.958 1.00 0.00 N ATOM 211 CA LYS A 16 -4.156 -0.671 6.693 1.00 0.00 C ATOM 212 C LYS A 16 -2.939 -0.514 5.778 1.00 0.00 C ATOM 213 O LYS A 16 -1.907 -0.016 6.180 1.00 0.00 O ATOM 214 CB LYS A 16 -4.344 -2.136 7.086 1.00 0.00 C ATOM 215 CG LYS A 16 -4.364 -2.258 8.611 1.00 0.00 C ATOM 216 CD LYS A 16 -5.501 -1.404 9.176 1.00 0.00 C ATOM 217 CE LYS A 16 -5.556 -1.566 10.696 1.00 0.00 C ATOM 218 NZ LYS A 16 -6.159 -0.299 11.195 1.00 0.00 N ATOM 0 H LYS A 16 -6.110 -1.038 5.913 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.986 -0.034 7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.275 -2.519 6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.537 -2.741 6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.499 -3.300 8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.410 -1.932 9.025 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.346 -0.357 8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.450 -1.705 8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.159 -2.429 10.980 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.561 -1.721 11.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.230 -0.333 12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.560 0.504 10.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.108 -0.182 10.786 1.00 0.00 H new ATOM 232 N ILE A 17 -3.055 -0.935 4.549 1.00 0.00 N ATOM 233 CA ILE A 17 -1.906 -0.812 3.606 1.00 0.00 C ATOM 234 C ILE A 17 -1.541 0.660 3.405 1.00 0.00 C ATOM 235 O ILE A 17 -0.385 1.033 3.431 1.00 0.00 O ATOM 236 CB ILE A 17 -2.405 -1.424 2.298 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.620 -2.928 2.490 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.370 -1.195 1.197 1.00 0.00 C ATOM 239 CD1 ILE A 17 -3.552 -3.456 1.398 1.00 0.00 C ATOM 0 H ILE A 17 -3.895 -1.359 4.156 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.011 -1.312 3.976 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.346 -0.953 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.664 -3.450 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.049 -3.122 3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.728 -1.632 0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.215 -0.125 1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.428 -1.664 1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.704 -4.526 1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.511 -2.942 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.105 -3.276 0.420 1.00 0.00 H new ATOM 251 N CYS A 18 -2.519 1.500 3.207 1.00 0.00 N ATOM 252 CA CYS A 18 -2.228 2.950 3.007 1.00 0.00 C ATOM 253 C CYS A 18 -1.619 3.543 4.280 1.00 0.00 C ATOM 254 O CYS A 18 -0.721 4.360 4.229 1.00 0.00 O ATOM 255 CB CYS A 18 -3.584 3.589 2.710 1.00 0.00 C ATOM 256 SG CYS A 18 -4.392 2.691 1.363 1.00 0.00 S ATOM 0 H CYS A 18 -3.507 1.247 3.175 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.514 3.123 2.202 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.210 3.569 3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.453 4.636 2.436 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.789 1.530 1.792 1.00 0.00 H new ATOM 262 N HIS A 19 -2.104 3.138 5.423 1.00 0.00 N ATOM 263 CA HIS A 19 -1.554 3.678 6.699 1.00 0.00 C ATOM 264 C HIS A 19 -0.078 3.300 6.840 1.00 0.00 C ATOM 265 O HIS A 19 0.727 4.080 7.309 1.00 0.00 O ATOM 266 CB HIS A 19 -2.386 3.019 7.799 1.00 0.00 C ATOM 267 CG HIS A 19 -3.060 4.078 8.625 1.00 0.00 C ATOM 268 ND1 HIS A 19 -3.740 5.143 8.053 1.00 0.00 N ATOM 269 CD2 HIS A 19 -3.170 4.251 9.983 1.00 0.00 C ATOM 270 CE1 HIS A 19 -4.225 5.901 9.054 1.00 0.00 C ATOM 271 NE2 HIS A 19 -3.906 5.401 10.251 1.00 0.00 N ATOM 0 H HIS A 19 -2.856 2.457 5.528 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.608 4.766 6.745 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.132 2.358 7.358 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.748 2.402 8.431 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.749 3.594 10.730 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.801 6.803 8.907 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -4.150 5.781 11.166 1.00 0.00 H new ATOM 279 N GLN A 20 0.289 2.114 6.435 1.00 0.00 N ATOM 280 CA GLN A 20 1.719 1.711 6.550 1.00 0.00 C ATOM 281 C GLN A 20 2.570 2.618 5.663 1.00 0.00 C ATOM 282 O GLN A 20 3.558 3.185 6.095 1.00 0.00 O ATOM 283 CB GLN A 20 1.767 0.267 6.049 1.00 0.00 C ATOM 284 CG GLN A 20 1.954 -0.680 7.234 1.00 0.00 C ATOM 285 CD GLN A 20 0.820 -0.472 8.241 1.00 0.00 C ATOM 286 OE1 GLN A 20 -0.301 -0.201 7.861 1.00 0.00 O ATOM 287 NE2 GLN A 20 1.068 -0.586 9.517 1.00 0.00 N ATOM 0 H GLN A 20 -0.333 1.413 6.033 1.00 0.00 H new ATOM 0 HA GLN A 20 2.102 1.794 7.567 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.846 0.025 5.518 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.585 0.144 5.340 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.962 -1.714 6.889 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.916 -0.496 7.711 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.010 -0.814 9.835 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.320 -0.447 10.196 1.00 0.00 H new ATOM 296 N ILE A 21 2.175 2.793 4.430 1.00 0.00 N ATOM 297 CA ILE A 21 2.948 3.689 3.533 1.00 0.00 C ATOM 298 C ILE A 21 2.997 5.074 4.168 1.00 0.00 C ATOM 299 O ILE A 21 3.984 5.778 4.095 1.00 0.00 O ATOM 300 CB ILE A 21 2.164 3.722 2.222 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.073 2.305 1.648 1.00 0.00 C ATOM 302 CG2 ILE A 21 2.886 4.631 1.228 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.470 1.823 1.254 1.00 0.00 C ATOM 0 H ILE A 21 1.355 2.355 4.010 1.00 0.00 H new ATOM 0 HA ILE A 21 3.972 3.355 3.367 1.00 0.00 H new ATOM 0 HB ILE A 21 1.159 4.104 2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.638 1.630 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.415 2.295 0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.331 4.658 0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.954 5.638 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.889 4.246 1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.405 0.815 0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.887 2.493 0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.114 1.818 2.133 1.00 0.00 H new ATOM 315 N GLU A 22 1.931 5.451 4.814 1.00 0.00 N ATOM 316 CA GLU A 22 1.890 6.772 5.490 1.00 0.00 C ATOM 317 C GLU A 22 2.983 6.837 6.560 1.00 0.00 C ATOM 318 O GLU A 22 3.560 7.872 6.810 1.00 0.00 O ATOM 319 CB GLU A 22 0.505 6.847 6.133 1.00 0.00 C ATOM 320 CG GLU A 22 0.264 8.262 6.663 1.00 0.00 C ATOM 321 CD GLU A 22 -0.042 8.203 8.160 1.00 0.00 C ATOM 322 OE1 GLU A 22 0.806 7.731 8.899 1.00 0.00 O ATOM 323 OE2 GLU A 22 -1.119 8.631 8.542 1.00 0.00 O ATOM 0 H GLU A 22 1.080 4.895 4.902 1.00 0.00 H new ATOM 0 HA GLU A 22 2.060 7.600 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.261 6.585 5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.430 6.125 6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.142 8.882 6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.566 8.725 6.130 1.00 0.00 H new ATOM 330 N TYR A 23 3.263 5.738 7.205 1.00 0.00 N ATOM 331 CA TYR A 23 4.313 5.748 8.264 1.00 0.00 C ATOM 332 C TYR A 23 5.669 6.173 7.681 1.00 0.00 C ATOM 333 O TYR A 23 6.370 6.976 8.262 1.00 0.00 O ATOM 334 CB TYR A 23 4.370 4.310 8.783 1.00 0.00 C ATOM 335 CG TYR A 23 5.688 4.076 9.484 1.00 0.00 C ATOM 336 CD1 TYR A 23 6.852 3.886 8.732 1.00 0.00 C ATOM 337 CD2 TYR A 23 5.746 4.046 10.882 1.00 0.00 C ATOM 338 CE1 TYR A 23 8.075 3.667 9.374 1.00 0.00 C ATOM 339 CE2 TYR A 23 6.969 3.827 11.527 1.00 0.00 C ATOM 340 CZ TYR A 23 8.134 3.637 10.773 1.00 0.00 C ATOM 341 OH TYR A 23 9.340 3.421 11.408 1.00 0.00 O ATOM 0 H TYR A 23 2.813 4.837 7.046 1.00 0.00 H new ATOM 0 HA TYR A 23 4.084 6.458 9.059 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.544 4.128 9.470 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.257 3.609 7.956 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.806 3.908 7.653 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.847 4.192 11.463 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.973 3.521 8.792 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.014 3.805 12.606 1.00 0.00 H new ATOM 0 HH TYR A 23 9.205 3.432 12.379 1.00 0.00 H new ATOM 351 N TYR A 24 6.051 5.651 6.541 1.00 0.00 N ATOM 352 CA TYR A 24 7.375 6.061 5.963 1.00 0.00 C ATOM 353 C TYR A 24 7.268 7.440 5.307 1.00 0.00 C ATOM 354 O TYR A 24 8.171 8.249 5.383 1.00 0.00 O ATOM 355 CB TYR A 24 7.754 5.031 4.892 1.00 0.00 C ATOM 356 CG TYR A 24 7.130 3.693 5.178 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.785 2.771 6.000 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.903 3.371 4.602 1.00 0.00 C ATOM 359 CE1 TYR A 24 7.204 1.523 6.247 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.320 2.129 4.848 1.00 0.00 C ATOM 361 CZ TYR A 24 5.969 1.201 5.671 1.00 0.00 C ATOM 362 OH TYR A 24 5.393 -0.029 5.915 1.00 0.00 O ATOM 0 H TYR A 24 5.520 4.974 5.994 1.00 0.00 H new ATOM 0 HA TYR A 24 8.125 6.108 6.753 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.430 5.384 3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.838 4.928 4.851 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.737 3.022 6.443 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.403 4.085 3.964 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.707 0.808 6.881 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.367 1.883 4.403 1.00 0.00 H new ATOM 0 HH TYR A 24 5.991 -0.739 5.601 1.00 0.00 H new ATOM 372 N PHE A 25 6.184 7.700 4.633 1.00 0.00 N ATOM 373 CA PHE A 25 6.036 9.016 3.938 1.00 0.00 C ATOM 374 C PHE A 25 5.220 10.008 4.773 1.00 0.00 C ATOM 375 O PHE A 25 5.278 11.200 4.552 1.00 0.00 O ATOM 376 CB PHE A 25 5.301 8.690 2.639 1.00 0.00 C ATOM 377 CG PHE A 25 6.280 8.140 1.631 1.00 0.00 C ATOM 378 CD1 PHE A 25 7.333 8.940 1.172 1.00 0.00 C ATOM 379 CD2 PHE A 25 6.134 6.833 1.155 1.00 0.00 C ATOM 380 CE1 PHE A 25 8.240 8.431 0.235 1.00 0.00 C ATOM 381 CE2 PHE A 25 7.041 6.324 0.219 1.00 0.00 C ATOM 382 CZ PHE A 25 8.095 7.123 -0.241 1.00 0.00 C ATOM 0 H PHE A 25 5.394 7.063 4.531 1.00 0.00 H new ATOM 0 HA PHE A 25 7.004 9.488 3.769 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.511 7.963 2.828 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.822 9.586 2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.446 9.949 1.540 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.321 6.217 1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.052 9.048 -0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.928 5.315 -0.149 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.796 6.730 -0.963 1.00 0.00 H new ATOM 392 N GLY A 26 4.434 9.527 5.692 1.00 0.00 N ATOM 393 CA GLY A 26 3.577 10.432 6.524 1.00 0.00 C ATOM 394 C GLY A 26 4.398 11.552 7.186 1.00 0.00 C ATOM 395 O GLY A 26 4.173 11.897 8.329 1.00 0.00 O ATOM 0 H GLY A 26 4.343 8.535 5.909 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.800 10.872 5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.073 9.848 7.294 1.00 0.00 H new ATOM 399 N ASP A 27 5.322 12.143 6.479 1.00 0.00 N ATOM 400 CA ASP A 27 6.124 13.259 7.062 1.00 0.00 C ATOM 401 C ASP A 27 6.957 12.809 8.273 1.00 0.00 C ATOM 402 O ASP A 27 7.882 13.487 8.669 1.00 0.00 O ATOM 403 CB ASP A 27 5.088 14.298 7.492 1.00 0.00 C ATOM 404 CG ASP A 27 4.017 14.431 6.407 1.00 0.00 C ATOM 405 OD1 ASP A 27 4.339 14.207 5.252 1.00 0.00 O ATOM 406 OD2 ASP A 27 2.892 14.755 6.750 1.00 0.00 O ATOM 0 H ASP A 27 5.558 11.900 5.517 1.00 0.00 H new ATOM 0 HA ASP A 27 6.842 13.644 6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.630 14.001 8.436 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.571 15.260 7.661 1.00 0.00 H new ATOM 411 N PHE A 28 6.644 11.696 8.878 1.00 0.00 N ATOM 412 CA PHE A 28 7.440 11.264 10.064 1.00 0.00 C ATOM 413 C PHE A 28 8.748 10.598 9.630 1.00 0.00 C ATOM 414 O PHE A 28 9.809 10.901 10.136 1.00 0.00 O ATOM 415 CB PHE A 28 6.550 10.259 10.795 1.00 0.00 C ATOM 416 CG PHE A 28 7.344 9.586 11.889 1.00 0.00 C ATOM 417 CD1 PHE A 28 8.337 10.300 12.572 1.00 0.00 C ATOM 418 CD2 PHE A 28 7.092 8.249 12.217 1.00 0.00 C ATOM 419 CE1 PHE A 28 9.075 9.677 13.585 1.00 0.00 C ATOM 420 CE2 PHE A 28 7.830 7.626 13.232 1.00 0.00 C ATOM 421 CZ PHE A 28 8.821 8.340 13.915 1.00 0.00 C ATOM 0 H PHE A 28 5.882 11.074 8.608 1.00 0.00 H new ATOM 0 HA PHE A 28 7.715 12.109 10.695 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.683 10.766 11.219 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.172 9.514 10.094 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.533 11.331 12.317 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.329 7.698 11.688 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.840 10.227 14.112 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.634 6.595 13.487 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.390 7.860 14.697 1.00 0.00 H new ATOM 431 N ASN A 29 8.671 9.675 8.719 1.00 0.00 N ATOM 432 CA ASN A 29 9.897 8.956 8.264 1.00 0.00 C ATOM 433 C ASN A 29 10.743 9.808 7.311 1.00 0.00 C ATOM 434 O ASN A 29 11.949 9.683 7.269 1.00 0.00 O ATOM 435 CB ASN A 29 9.376 7.711 7.553 1.00 0.00 C ATOM 436 CG ASN A 29 9.686 6.477 8.402 1.00 0.00 C ATOM 437 OD1 ASN A 29 9.090 6.327 9.552 1.00 0.00 O flip ATOM 438 ND2 ASN A 29 10.478 5.642 8.016 1.00 0.00 N flip ATOM 0 H ASN A 29 7.806 9.382 8.264 1.00 0.00 H new ATOM 0 HA ASN A 29 10.552 8.719 9.103 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.301 7.794 7.390 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.841 7.617 6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.944 5.759 7.116 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.677 4.823 8.591 1.00 0.00 H new ATOM 445 N LEU A 30 10.131 10.646 6.521 1.00 0.00 N ATOM 446 CA LEU A 30 10.925 11.462 5.552 1.00 0.00 C ATOM 447 C LEU A 30 11.998 12.284 6.275 1.00 0.00 C ATOM 448 O LEU A 30 13.142 12.294 5.866 1.00 0.00 O ATOM 449 CB LEU A 30 9.905 12.384 4.886 1.00 0.00 C ATOM 450 CG LEU A 30 9.615 11.883 3.471 1.00 0.00 C ATOM 451 CD1 LEU A 30 8.223 12.347 3.041 1.00 0.00 C ATOM 452 CD2 LEU A 30 10.661 12.447 2.507 1.00 0.00 C ATOM 0 H LEU A 30 9.123 10.803 6.502 1.00 0.00 H new ATOM 0 HA LEU A 30 11.451 10.836 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.985 12.409 5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.288 13.404 4.851 1.00 0.00 H new ATOM 0 HG LEU A 30 9.655 10.794 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.016 11.990 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.478 11.946 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.182 13.436 3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.455 12.090 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.620 13.536 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.654 12.117 2.813 1.00 0.00 H new ATOM 464 N PRO A 31 11.605 12.940 7.329 1.00 0.00 N ATOM 465 CA PRO A 31 12.566 13.758 8.108 1.00 0.00 C ATOM 466 C PRO A 31 13.707 12.874 8.623 1.00 0.00 C ATOM 467 O PRO A 31 14.789 13.344 8.916 1.00 0.00 O ATOM 468 CB PRO A 31 11.738 14.307 9.270 1.00 0.00 C ATOM 469 CG PRO A 31 10.307 14.129 8.867 1.00 0.00 C ATOM 470 CD PRO A 31 10.253 12.988 7.886 1.00 0.00 C ATOM 0 HA PRO A 31 13.025 14.552 7.519 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.955 13.770 10.193 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.966 15.357 9.451 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.687 13.916 9.738 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.919 15.042 8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.989 12.051 8.377 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.507 13.163 7.111 1.00 0.00 H new ATOM 478 N ARG A 32 13.472 11.594 8.726 1.00 0.00 N ATOM 479 CA ARG A 32 14.537 10.667 9.212 1.00 0.00 C ATOM 480 C ARG A 32 14.415 9.323 8.490 1.00 0.00 C ATOM 481 O ARG A 32 14.430 8.272 9.099 1.00 0.00 O ATOM 482 CB ARG A 32 14.269 10.501 10.708 1.00 0.00 C ATOM 483 CG ARG A 32 15.411 9.708 11.345 1.00 0.00 C ATOM 484 CD ARG A 32 15.008 9.269 12.754 1.00 0.00 C ATOM 485 NE ARG A 32 16.269 9.311 13.544 1.00 0.00 N ATOM 486 CZ ARG A 32 17.205 8.427 13.327 1.00 0.00 C ATOM 487 NH1 ARG A 32 17.035 7.504 12.420 1.00 0.00 N ATOM 488 NH2 ARG A 32 18.312 8.466 14.017 1.00 0.00 N ATOM 0 H ARG A 32 12.585 11.148 8.494 1.00 0.00 H new ATOM 0 HA ARG A 32 15.541 11.047 9.024 1.00 0.00 H new ATOM 0 HB2 ARG A 32 14.181 11.478 11.183 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.322 9.984 10.864 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.646 8.836 10.735 1.00 0.00 H new ATOM 0 HG3 ARG A 32 16.312 10.320 11.388 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.256 9.936 13.175 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.579 8.267 12.748 1.00 0.00 H new ATOM 0 HE ARG A 32 16.402 10.030 14.255 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.170 7.473 11.880 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.767 6.814 12.251 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.446 9.187 14.726 1.00 0.00 H new ATOM 0 HH22 ARG A 32 19.043 7.775 13.847 1.00 0.00 H new ATOM 502 N ASP A 33 14.310 9.356 7.190 1.00 0.00 N ATOM 503 CA ASP A 33 14.203 8.086 6.415 1.00 0.00 C ATOM 504 C ASP A 33 15.544 7.748 5.759 1.00 0.00 C ATOM 505 O ASP A 33 15.861 8.255 4.701 1.00 0.00 O ATOM 506 CB ASP A 33 13.144 8.366 5.348 1.00 0.00 C ATOM 507 CG ASP A 33 11.925 7.474 5.587 1.00 0.00 C ATOM 508 OD1 ASP A 33 11.940 6.728 6.553 1.00 0.00 O ATOM 509 OD2 ASP A 33 10.995 7.551 4.801 1.00 0.00 O ATOM 0 H ASP A 33 14.294 10.208 6.630 1.00 0.00 H new ATOM 0 HA ASP A 33 13.937 7.239 7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.851 9.415 5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.555 8.179 4.356 1.00 0.00 H new ATOM 514 N LYS A 34 16.335 6.893 6.350 1.00 0.00 N ATOM 515 CA LYS A 34 17.640 6.544 5.707 1.00 0.00 C ATOM 516 C LYS A 34 17.397 5.615 4.522 1.00 0.00 C ATOM 517 O LYS A 34 17.933 5.798 3.446 1.00 0.00 O ATOM 518 CB LYS A 34 18.476 5.816 6.773 1.00 0.00 C ATOM 519 CG LYS A 34 17.609 5.405 7.966 1.00 0.00 C ATOM 520 CD LYS A 34 18.458 4.620 8.968 1.00 0.00 C ATOM 521 CE LYS A 34 18.766 3.231 8.401 1.00 0.00 C ATOM 522 NZ LYS A 34 18.096 2.279 9.330 1.00 0.00 N ATOM 0 H LYS A 34 16.141 6.426 7.236 1.00 0.00 H new ATOM 0 HA LYS A 34 18.152 7.435 5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.940 4.932 6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.283 6.465 7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.187 6.289 8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.771 4.796 7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.386 5.155 9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.928 4.528 9.916 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.385 3.126 7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.840 3.051 8.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.262 1.304 9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.484 2.397 10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.074 2.470 9.345 1.00 0.00 H new ATOM 536 N PHE A 35 16.590 4.618 4.722 1.00 0.00 N ATOM 537 CA PHE A 35 16.293 3.654 3.622 1.00 0.00 C ATOM 538 C PHE A 35 15.469 4.338 2.528 1.00 0.00 C ATOM 539 O PHE A 35 15.717 4.164 1.352 1.00 0.00 O ATOM 540 CB PHE A 35 15.490 2.531 4.280 1.00 0.00 C ATOM 541 CG PHE A 35 14.204 3.085 4.847 1.00 0.00 C ATOM 542 CD1 PHE A 35 14.167 3.561 6.164 1.00 0.00 C ATOM 543 CD2 PHE A 35 13.047 3.117 4.059 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.974 4.071 6.690 1.00 0.00 C ATOM 545 CE2 PHE A 35 11.854 3.625 4.587 1.00 0.00 C ATOM 546 CZ PHE A 35 11.817 4.103 5.902 1.00 0.00 C ATOM 0 H PHE A 35 16.117 4.424 5.605 1.00 0.00 H new ATOM 0 HA PHE A 35 17.199 3.278 3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.270 1.753 3.549 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.078 2.068 5.073 1.00 0.00 H new ATOM 0 HD1 PHE A 35 15.058 3.535 6.773 1.00 0.00 H new ATOM 0 HD2 PHE A 35 13.075 2.750 3.044 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.946 4.440 7.705 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.962 3.648 3.979 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.897 4.496 6.309 1.00 0.00 H new ATOM 556 N LEU A 36 14.497 5.122 2.905 1.00 0.00 N ATOM 557 CA LEU A 36 13.670 5.821 1.880 1.00 0.00 C ATOM 558 C LEU A 36 14.567 6.711 1.021 1.00 0.00 C ATOM 559 O LEU A 36 14.409 6.802 -0.181 1.00 0.00 O ATOM 560 CB LEU A 36 12.682 6.667 2.682 1.00 0.00 C ATOM 561 CG LEU A 36 11.287 6.542 2.070 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.344 6.921 0.589 1.00 0.00 C ATOM 563 CD2 LEU A 36 10.795 5.100 2.209 1.00 0.00 C ATOM 0 H LEU A 36 14.240 5.309 3.874 1.00 0.00 H new ATOM 0 HA LEU A 36 13.158 5.132 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.665 6.338 3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.998 7.710 2.683 1.00 0.00 H new ATOM 0 HG LEU A 36 10.601 7.211 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.349 6.832 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.693 7.949 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.030 6.253 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.800 5.011 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.480 4.430 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.754 4.830 3.264 1.00 0.00 H new ATOM 575 N LYS A 37 15.521 7.357 1.633 1.00 0.00 N ATOM 576 CA LYS A 37 16.450 8.233 0.864 1.00 0.00 C ATOM 577 C LYS A 37 17.167 7.410 -0.203 1.00 0.00 C ATOM 578 O LYS A 37 17.477 7.888 -1.276 1.00 0.00 O ATOM 579 CB LYS A 37 17.451 8.738 1.899 1.00 0.00 C ATOM 580 CG LYS A 37 17.516 10.260 1.844 1.00 0.00 C ATOM 581 CD LYS A 37 16.721 10.841 3.012 1.00 0.00 C ATOM 582 CE LYS A 37 15.749 11.903 2.494 1.00 0.00 C ATOM 583 NZ LYS A 37 14.490 11.162 2.201 1.00 0.00 N ATOM 0 H LYS A 37 15.698 7.316 2.637 1.00 0.00 H new ATOM 0 HA LYS A 37 15.935 9.049 0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.155 8.412 2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.436 8.314 1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 37 18.553 10.593 1.893 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.110 10.619 0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.172 10.049 3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.399 11.280 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.584 12.683 3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.137 12.391 1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.952 11.668 1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.721 10.206 1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.918 11.094 3.067 1.00 0.00 H new ATOM 597 N GLU A 38 17.422 6.170 0.092 1.00 0.00 N ATOM 598 CA GLU A 38 18.113 5.291 -0.893 1.00 0.00 C ATOM 599 C GLU A 38 17.189 5.016 -2.082 1.00 0.00 C ATOM 600 O GLU A 38 17.602 5.052 -3.225 1.00 0.00 O ATOM 601 CB GLU A 38 18.411 3.997 -0.134 1.00 0.00 C ATOM 602 CG GLU A 38 19.888 3.963 0.257 1.00 0.00 C ATOM 603 CD GLU A 38 20.116 2.874 1.306 1.00 0.00 C ATOM 604 OE1 GLU A 38 19.753 3.095 2.450 1.00 0.00 O ATOM 605 OE2 GLU A 38 20.650 1.837 0.948 1.00 0.00 O ATOM 0 H GLU A 38 17.181 5.723 0.977 1.00 0.00 H new ATOM 0 HA GLU A 38 19.021 5.745 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.787 3.934 0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.168 3.135 -0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.503 3.770 -0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 38 20.192 4.932 0.652 1.00 0.00 H new ATOM 612 N GLN A 39 15.940 4.743 -1.822 1.00 0.00 N ATOM 613 CA GLN A 39 14.986 4.469 -2.934 1.00 0.00 C ATOM 614 C GLN A 39 14.678 5.759 -3.700 1.00 0.00 C ATOM 615 O GLN A 39 14.599 5.767 -4.912 1.00 0.00 O ATOM 616 CB GLN A 39 13.727 3.937 -2.251 1.00 0.00 C ATOM 617 CG GLN A 39 14.037 2.593 -1.587 1.00 0.00 C ATOM 618 CD GLN A 39 14.722 1.670 -2.597 1.00 0.00 C ATOM 619 OE1 GLN A 39 14.486 1.769 -3.785 1.00 0.00 O ATOM 620 NE2 GLN A 39 15.565 0.770 -2.171 1.00 0.00 N ATOM 0 H GLN A 39 15.538 4.698 -0.886 1.00 0.00 H new ATOM 0 HA GLN A 39 15.388 3.761 -3.658 1.00 0.00 H new ATOM 0 HB2 GLN A 39 13.375 4.651 -1.506 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.927 3.818 -2.981 1.00 0.00 H new ATOM 0 HG2 GLN A 39 14.681 2.743 -0.721 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.117 2.134 -1.224 1.00 0.00 H new ATOM 0 HE21 GLN A 39 15.762 0.688 -1.174 1.00 0.00 H new ATOM 0 HE22 GLN A 39 16.027 0.149 -2.835 1.00 0.00 H new ATOM 629 N ILE A 40 14.505 6.849 -3.003 1.00 0.00 N ATOM 630 CA ILE A 40 14.205 8.133 -3.699 1.00 0.00 C ATOM 631 C ILE A 40 15.433 8.600 -4.484 1.00 0.00 C ATOM 632 O ILE A 40 15.322 9.157 -5.559 1.00 0.00 O ATOM 633 CB ILE A 40 13.862 9.130 -2.590 1.00 0.00 C ATOM 634 CG1 ILE A 40 15.143 9.552 -1.868 1.00 0.00 C ATOM 635 CG2 ILE A 40 12.907 8.477 -1.589 1.00 0.00 C ATOM 636 CD1 ILE A 40 14.818 10.656 -0.860 1.00 0.00 C ATOM 0 H ILE A 40 14.558 6.906 -1.986 1.00 0.00 H new ATOM 0 HA ILE A 40 13.386 8.033 -4.412 1.00 0.00 H new ATOM 0 HB ILE A 40 13.385 10.006 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 40 15.584 8.696 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.879 9.908 -2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.664 9.189 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.993 8.177 -2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.383 7.599 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 40 15.730 10.958 -0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 40 14.396 11.514 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 40 14.096 10.284 -0.133 1.00 0.00 H new ATOM 648 N LYS A 41 16.605 8.370 -3.957 1.00 0.00 N ATOM 649 CA LYS A 41 17.841 8.794 -4.674 1.00 0.00 C ATOM 650 C LYS A 41 18.137 7.827 -5.823 1.00 0.00 C ATOM 651 O LYS A 41 18.682 8.205 -6.840 1.00 0.00 O ATOM 652 CB LYS A 41 18.951 8.733 -3.623 1.00 0.00 C ATOM 653 CG LYS A 41 18.742 9.844 -2.593 1.00 0.00 C ATOM 654 CD LYS A 41 19.474 11.107 -3.048 1.00 0.00 C ATOM 655 CE LYS A 41 20.491 11.521 -1.982 1.00 0.00 C ATOM 656 NZ LYS A 41 20.977 12.861 -2.415 1.00 0.00 N ATOM 0 H LYS A 41 16.760 7.907 -3.061 1.00 0.00 H new ATOM 0 HA LYS A 41 17.748 9.789 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.947 7.761 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 41 19.925 8.844 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.678 10.050 -2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.114 9.526 -1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.979 10.925 -3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.760 11.913 -3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.031 11.568 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.310 10.805 -1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.679 13.213 -1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.415 12.784 -3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.176 13.523 -2.460 1.00 0.00 H new ATOM 670 N LEU A 42 17.784 6.579 -5.661 1.00 0.00 N ATOM 671 CA LEU A 42 18.041 5.572 -6.733 1.00 0.00 C ATOM 672 C LEU A 42 17.933 6.217 -8.117 1.00 0.00 C ATOM 673 O LEU A 42 18.926 6.475 -8.769 1.00 0.00 O ATOM 674 CB LEU A 42 16.952 4.515 -6.549 1.00 0.00 C ATOM 675 CG LEU A 42 17.594 3.129 -6.468 1.00 0.00 C ATOM 676 CD1 LEU A 42 18.209 2.931 -5.082 1.00 0.00 C ATOM 677 CD2 LEU A 42 16.524 2.060 -6.707 1.00 0.00 C ATOM 0 H LEU A 42 17.326 6.212 -4.827 1.00 0.00 H new ATOM 0 HA LEU A 42 19.043 5.148 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.383 4.718 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.249 4.554 -7.381 1.00 0.00 H new ATOM 0 HG LEU A 42 18.373 3.044 -7.226 1.00 0.00 H new ATOM 0 HD11 LEU A 42 18.666 1.943 -5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.969 3.693 -4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 42 17.431 3.015 -4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.979 1.071 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 42 15.747 2.147 -5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 42 16.084 2.200 -7.694 1.00 0.00 H new ATOM 689 N ASP A 43 16.739 6.476 -8.574 1.00 0.00 N ATOM 690 CA ASP A 43 16.580 7.101 -9.919 1.00 0.00 C ATOM 691 C ASP A 43 15.153 7.625 -10.105 1.00 0.00 C ATOM 692 O ASP A 43 14.205 6.866 -10.142 1.00 0.00 O ATOM 693 CB ASP A 43 16.870 5.976 -10.914 1.00 0.00 C ATOM 694 CG ASP A 43 17.017 6.562 -12.318 1.00 0.00 C ATOM 695 OD1 ASP A 43 17.930 7.346 -12.519 1.00 0.00 O ATOM 696 OD2 ASP A 43 16.214 6.218 -13.170 1.00 0.00 O ATOM 0 H ASP A 43 15.869 6.283 -8.077 1.00 0.00 H new ATOM 0 HA ASP A 43 17.246 7.953 -10.055 1.00 0.00 H new ATOM 0 HB2 ASP A 43 17.782 5.451 -10.630 1.00 0.00 H new ATOM 0 HB3 ASP A 43 16.063 5.244 -10.897 1.00 0.00 H new ATOM 701 N GLU A 44 15.003 8.919 -10.218 1.00 0.00 N ATOM 702 CA GLU A 44 13.645 9.523 -10.404 1.00 0.00 C ATOM 703 C GLU A 44 12.917 9.647 -9.064 1.00 0.00 C ATOM 704 O GLU A 44 12.031 10.464 -8.906 1.00 0.00 O ATOM 705 CB GLU A 44 12.889 8.575 -11.339 1.00 0.00 C ATOM 706 CG GLU A 44 11.758 9.336 -12.032 1.00 0.00 C ATOM 707 CD GLU A 44 11.388 8.627 -13.336 1.00 0.00 C ATOM 708 OE1 GLU A 44 12.219 7.892 -13.844 1.00 0.00 O ATOM 709 OE2 GLU A 44 10.280 8.830 -13.804 1.00 0.00 O ATOM 0 H GLU A 44 15.769 9.592 -10.189 1.00 0.00 H new ATOM 0 HA GLU A 44 13.712 10.528 -10.820 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.570 8.160 -12.081 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.484 7.736 -10.773 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.889 9.392 -11.377 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.068 10.360 -12.238 1.00 0.00 H new ATOM 716 N GLY A 45 13.270 8.846 -8.097 1.00 0.00 N ATOM 717 CA GLY A 45 12.583 8.930 -6.778 1.00 0.00 C ATOM 718 C GLY A 45 11.522 7.834 -6.692 1.00 0.00 C ATOM 719 O GLY A 45 10.966 7.575 -5.643 1.00 0.00 O ATOM 0 H GLY A 45 14.002 8.139 -8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.306 8.817 -5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.121 9.910 -6.657 1.00 0.00 H new ATOM 723 N TRP A 46 11.233 7.193 -7.789 1.00 0.00 N ATOM 724 CA TRP A 46 10.203 6.119 -7.773 1.00 0.00 C ATOM 725 C TRP A 46 10.681 4.922 -6.950 1.00 0.00 C ATOM 726 O TRP A 46 11.690 4.311 -7.242 1.00 0.00 O ATOM 727 CB TRP A 46 10.019 5.723 -9.237 1.00 0.00 C ATOM 728 CG TRP A 46 9.198 6.761 -9.931 1.00 0.00 C ATOM 729 CD1 TRP A 46 9.591 7.457 -11.022 1.00 0.00 C ATOM 730 CD2 TRP A 46 7.858 7.233 -9.603 1.00 0.00 C ATOM 731 NE1 TRP A 46 8.580 8.326 -11.385 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.490 8.226 -10.542 1.00 0.00 C ATOM 733 CE3 TRP A 46 6.934 6.901 -8.592 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.251 8.866 -10.482 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.687 7.544 -8.531 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.347 8.525 -9.473 1.00 0.00 C ATOM 0 H TRP A 46 11.666 7.367 -8.696 1.00 0.00 H new ATOM 0 HA TRP A 46 9.271 6.456 -7.319 1.00 0.00 H new ATOM 0 HB2 TRP A 46 10.989 5.625 -9.724 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.530 4.751 -9.304 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.540 7.351 -11.527 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.632 8.964 -12.179 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.186 6.148 -7.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.993 9.620 -11.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.985 7.281 -7.753 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.387 9.017 -9.419 1.00 0.00 H new ATOM 747 N VAL A 47 9.950 4.582 -5.928 1.00 0.00 N ATOM 748 CA VAL A 47 10.338 3.418 -5.082 1.00 0.00 C ATOM 749 C VAL A 47 9.471 2.212 -5.450 1.00 0.00 C ATOM 750 O VAL A 47 8.337 2.367 -5.849 1.00 0.00 O ATOM 751 CB VAL A 47 10.065 3.858 -3.643 1.00 0.00 C ATOM 752 CG1 VAL A 47 10.536 2.769 -2.678 1.00 0.00 C ATOM 753 CG2 VAL A 47 10.822 5.157 -3.355 1.00 0.00 C ATOM 0 H VAL A 47 9.097 5.061 -5.640 1.00 0.00 H new ATOM 0 HA VAL A 47 11.379 3.127 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 47 8.996 4.023 -3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 47 10.341 3.083 -1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.998 1.844 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.605 2.603 -2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.628 5.471 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.891 4.992 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.486 5.934 -4.042 1.00 0.00 H new ATOM 763 N PRO A 48 10.038 1.048 -5.315 1.00 0.00 N ATOM 764 CA PRO A 48 9.320 -0.191 -5.644 1.00 0.00 C ATOM 765 C PRO A 48 8.626 -0.745 -4.403 1.00 0.00 C ATOM 766 O PRO A 48 9.167 -0.721 -3.315 1.00 0.00 O ATOM 767 CB PRO A 48 10.438 -1.126 -6.083 1.00 0.00 C ATOM 768 CG PRO A 48 11.694 -0.592 -5.452 1.00 0.00 C ATOM 769 CD PRO A 48 11.386 0.759 -4.850 1.00 0.00 C ATOM 0 HA PRO A 48 8.545 -0.056 -6.399 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.242 -2.148 -5.759 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.525 -1.147 -7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.054 -1.277 -4.684 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.485 -0.504 -6.197 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.436 0.733 -3.761 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.095 1.517 -5.184 1.00 0.00 H new ATOM 777 N LEU A 49 7.436 -1.243 -4.552 1.00 0.00 N ATOM 778 CA LEU A 49 6.718 -1.795 -3.367 1.00 0.00 C ATOM 779 C LEU A 49 7.498 -2.981 -2.792 1.00 0.00 C ATOM 780 O LEU A 49 7.123 -3.552 -1.787 1.00 0.00 O ATOM 781 CB LEU A 49 5.362 -2.261 -3.895 1.00 0.00 C ATOM 782 CG LEU A 49 4.694 -1.126 -4.670 1.00 0.00 C ATOM 783 CD1 LEU A 49 4.076 -1.684 -5.952 1.00 0.00 C ATOM 784 CD2 LEU A 49 3.595 -0.499 -3.808 1.00 0.00 C ATOM 0 H LEU A 49 6.928 -1.294 -5.435 1.00 0.00 H new ATOM 0 HA LEU A 49 6.611 -1.057 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.491 -3.129 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.726 -2.573 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 49 5.437 -0.369 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.599 -0.877 -6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.856 -2.135 -6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.332 -2.439 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.118 0.311 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.851 -1.256 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.032 -0.105 -2.891 1.00 0.00 H new ATOM 796 N GLU A 50 8.594 -3.336 -3.404 1.00 0.00 N ATOM 797 CA GLU A 50 9.396 -4.462 -2.857 1.00 0.00 C ATOM 798 C GLU A 50 9.961 -4.016 -1.512 1.00 0.00 C ATOM 799 O GLU A 50 9.937 -4.738 -0.535 1.00 0.00 O ATOM 800 CB GLU A 50 10.507 -4.735 -3.872 1.00 0.00 C ATOM 801 CG GLU A 50 11.337 -3.476 -4.102 1.00 0.00 C ATOM 802 CD GLU A 50 11.973 -3.532 -5.493 1.00 0.00 C ATOM 803 OE1 GLU A 50 11.346 -4.075 -6.388 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.076 -3.031 -5.638 1.00 0.00 O ATOM 0 H GLU A 50 8.964 -2.900 -4.249 1.00 0.00 H new ATOM 0 HA GLU A 50 8.815 -5.371 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.148 -5.540 -3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.073 -5.070 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.707 -2.591 -4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.111 -3.393 -3.339 1.00 0.00 H new ATOM 811 N ILE A 51 10.428 -2.803 -1.460 1.00 0.00 N ATOM 812 CA ILE A 51 10.958 -2.250 -0.181 1.00 0.00 C ATOM 813 C ILE A 51 9.824 -2.214 0.849 1.00 0.00 C ATOM 814 O ILE A 51 10.014 -2.484 2.018 1.00 0.00 O ATOM 815 CB ILE A 51 11.393 -0.817 -0.522 1.00 0.00 C ATOM 816 CG1 ILE A 51 12.807 -0.802 -1.115 1.00 0.00 C ATOM 817 CG2 ILE A 51 11.379 0.037 0.748 1.00 0.00 C ATOM 818 CD1 ILE A 51 13.022 -2.022 -2.003 1.00 0.00 C ATOM 0 H ILE A 51 10.467 -2.164 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 51 11.777 -2.840 0.230 1.00 0.00 H new ATOM 0 HB ILE A 51 10.697 -0.413 -1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.956 0.109 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 51 13.545 -0.793 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.688 1.054 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.372 0.053 1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.067 -0.387 1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 51 14.030 -1.998 -2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.894 -2.929 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.296 -2.013 -2.816 1.00 0.00 H new ATOM 830 N MET A 52 8.641 -1.888 0.401 1.00 0.00 N ATOM 831 CA MET A 52 7.468 -1.833 1.320 1.00 0.00 C ATOM 832 C MET A 52 6.929 -3.239 1.604 1.00 0.00 C ATOM 833 O MET A 52 6.590 -3.572 2.722 1.00 0.00 O ATOM 834 CB MET A 52 6.422 -1.003 0.574 1.00 0.00 C ATOM 835 CG MET A 52 6.393 0.414 1.147 1.00 0.00 C ATOM 836 SD MET A 52 8.070 1.096 1.155 1.00 0.00 S ATOM 837 CE MET A 52 7.897 2.103 2.648 1.00 0.00 C ATOM 0 H MET A 52 8.436 -1.656 -0.571 1.00 0.00 H new ATOM 0 HA MET A 52 7.730 -1.400 2.286 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.658 -0.972 -0.490 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.440 -1.466 0.669 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.735 1.046 0.550 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.990 0.400 2.160 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.858 2.553 2.896 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.162 2.889 2.474 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.567 1.474 3.475 1.00 0.00 H new ATOM 847 N ILE A 53 6.827 -4.059 0.591 1.00 0.00 N ATOM 848 CA ILE A 53 6.285 -5.434 0.792 1.00 0.00 C ATOM 849 C ILE A 53 7.361 -6.382 1.325 1.00 0.00 C ATOM 850 O ILE A 53 7.116 -7.556 1.523 1.00 0.00 O ATOM 851 CB ILE A 53 5.812 -5.886 -0.589 1.00 0.00 C ATOM 852 CG1 ILE A 53 7.027 -6.183 -1.471 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.970 -4.782 -1.232 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.998 -7.649 -1.904 1.00 0.00 C ATOM 0 H ILE A 53 7.096 -3.835 -0.367 1.00 0.00 H new ATOM 0 HA ILE A 53 5.479 -5.441 1.526 1.00 0.00 H new ATOM 0 HB ILE A 53 5.207 -6.787 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 53 7.021 -5.534 -2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.946 -5.972 -0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.634 -5.107 -2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.104 -4.573 -0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.571 -3.879 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.863 -7.860 -2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.025 -8.289 -1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.085 -7.844 -2.467 1.00 0.00 H new ATOM 866 N LYS A 54 8.545 -5.894 1.576 1.00 0.00 N ATOM 867 CA LYS A 54 9.610 -6.787 2.114 1.00 0.00 C ATOM 868 C LYS A 54 9.948 -6.362 3.543 1.00 0.00 C ATOM 869 O LYS A 54 10.463 -7.131 4.330 1.00 0.00 O ATOM 870 CB LYS A 54 10.812 -6.582 1.190 1.00 0.00 C ATOM 871 CG LYS A 54 11.456 -5.224 1.481 1.00 0.00 C ATOM 872 CD LYS A 54 12.707 -5.426 2.338 1.00 0.00 C ATOM 873 CE LYS A 54 12.874 -4.237 3.287 1.00 0.00 C ATOM 874 NZ LYS A 54 14.337 -4.158 3.553 1.00 0.00 N ATOM 0 H LYS A 54 8.820 -4.922 1.433 1.00 0.00 H new ATOM 0 HA LYS A 54 9.308 -7.834 2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.539 -7.380 1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.495 -6.630 0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.718 -4.726 0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.748 -4.577 1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.624 -6.351 2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.586 -5.522 1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.505 -3.316 2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.313 -4.386 4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.523 -3.409 4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.672 -5.069 3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.839 -3.941 2.669 1.00 0.00 H new ATOM 888 N PHE A 55 9.649 -5.137 3.882 1.00 0.00 N ATOM 889 CA PHE A 55 9.937 -4.648 5.258 1.00 0.00 C ATOM 890 C PHE A 55 8.909 -5.226 6.236 1.00 0.00 C ATOM 891 O PHE A 55 7.725 -5.249 5.964 1.00 0.00 O ATOM 892 CB PHE A 55 9.803 -3.126 5.171 1.00 0.00 C ATOM 893 CG PHE A 55 11.176 -2.498 5.112 1.00 0.00 C ATOM 894 CD1 PHE A 55 12.166 -2.895 6.017 1.00 0.00 C ATOM 895 CD2 PHE A 55 11.457 -1.516 4.152 1.00 0.00 C ATOM 896 CE1 PHE A 55 13.438 -2.311 5.964 1.00 0.00 C ATOM 897 CE2 PHE A 55 12.729 -0.933 4.100 1.00 0.00 C ATOM 898 CZ PHE A 55 13.719 -1.331 5.006 1.00 0.00 C ATOM 0 H PHE A 55 9.216 -4.453 3.262 1.00 0.00 H new ATOM 0 HA PHE A 55 10.923 -4.947 5.613 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.228 -2.852 4.286 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.257 -2.749 6.036 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.950 -3.652 6.757 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.693 -1.209 3.453 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.202 -2.617 6.663 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.946 -0.176 3.361 1.00 0.00 H new ATOM 0 HZ PHE A 55 14.700 -0.881 4.965 1.00 0.00 H new ATOM 908 N ASN A 56 9.351 -5.696 7.369 1.00 0.00 N ATOM 909 CA ASN A 56 8.397 -6.274 8.358 1.00 0.00 C ATOM 910 C ASN A 56 7.315 -5.250 8.714 1.00 0.00 C ATOM 911 O ASN A 56 6.245 -5.596 9.175 1.00 0.00 O ATOM 912 CB ASN A 56 9.249 -6.602 9.584 1.00 0.00 C ATOM 913 CG ASN A 56 10.388 -7.539 9.179 1.00 0.00 C ATOM 914 OD1 ASN A 56 11.547 -7.193 9.299 1.00 0.00 O ATOM 915 ND2 ASN A 56 10.106 -8.720 8.700 1.00 0.00 N ATOM 0 H ASN A 56 10.331 -5.705 7.653 1.00 0.00 H new ATOM 0 HA ASN A 56 7.884 -7.154 7.970 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.653 -5.686 10.014 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.634 -7.071 10.352 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.858 -9.352 8.426 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.133 -9.011 8.599 1.00 0.00 H new ATOM 922 N ARG A 57 7.588 -3.991 8.508 1.00 0.00 N ATOM 923 CA ARG A 57 6.580 -2.944 8.839 1.00 0.00 C ATOM 924 C ARG A 57 5.289 -3.165 8.042 1.00 0.00 C ATOM 925 O ARG A 57 4.200 -3.079 8.573 1.00 0.00 O ATOM 926 CB ARG A 57 7.238 -1.624 8.436 1.00 0.00 C ATOM 927 CG ARG A 57 7.952 -1.019 9.646 1.00 0.00 C ATOM 928 CD ARG A 57 7.148 0.174 10.170 1.00 0.00 C ATOM 929 NE ARG A 57 5.987 -0.429 10.882 1.00 0.00 N ATOM 930 CZ ARG A 57 6.159 -1.014 12.037 1.00 0.00 C ATOM 931 NH1 ARG A 57 7.349 -1.071 12.570 1.00 0.00 N ATOM 932 NH2 ARG A 57 5.141 -1.544 12.657 1.00 0.00 N ATOM 0 H ARG A 57 8.466 -3.642 8.124 1.00 0.00 H new ATOM 0 HA ARG A 57 6.303 -2.962 9.893 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.949 -1.792 7.627 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.486 -0.930 8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.062 -1.769 10.429 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.956 -0.700 9.367 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.747 0.790 10.841 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.820 0.818 9.354 1.00 0.00 H new ATOM 0 HE ARG A 57 5.056 -0.385 10.467 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.146 -0.658 12.085 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.482 -1.528 13.472 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.211 -1.501 12.240 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.275 -2.001 13.559 1.00 0.00 H new ATOM 946 N LEU A 58 5.400 -3.444 6.771 1.00 0.00 N ATOM 947 CA LEU A 58 4.174 -3.661 5.948 1.00 0.00 C ATOM 948 C LEU A 58 4.049 -5.134 5.546 1.00 0.00 C ATOM 949 O LEU A 58 2.962 -5.651 5.381 1.00 0.00 O ATOM 950 CB LEU A 58 4.368 -2.781 4.711 1.00 0.00 C ATOM 951 CG LEU A 58 3.343 -3.165 3.642 1.00 0.00 C ATOM 952 CD1 LEU A 58 1.953 -2.699 4.077 1.00 0.00 C ATOM 953 CD2 LEU A 58 3.713 -2.491 2.318 1.00 0.00 C ATOM 0 H LEU A 58 6.283 -3.531 6.268 1.00 0.00 H new ATOM 0 HA LEU A 58 3.265 -3.408 6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.254 -1.730 4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.378 -2.903 4.321 1.00 0.00 H new ATOM 0 HG LEU A 58 3.340 -4.247 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.223 -2.973 3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.689 -3.175 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.956 -1.617 4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.984 -2.763 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.715 -1.409 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.704 -2.820 2.007 1.00 0.00 H new ATOM 965 N ASN A 59 5.151 -5.814 5.383 1.00 0.00 N ATOM 966 CA ASN A 59 5.087 -7.252 4.988 1.00 0.00 C ATOM 967 C ASN A 59 4.234 -8.041 5.986 1.00 0.00 C ATOM 968 O ASN A 59 3.719 -9.097 5.676 1.00 0.00 O ATOM 969 CB ASN A 59 6.536 -7.737 5.022 1.00 0.00 C ATOM 970 CG ASN A 59 6.566 -9.265 4.953 1.00 0.00 C ATOM 971 OD1 ASN A 59 6.256 -9.935 5.919 1.00 0.00 O ATOM 972 ND2 ASN A 59 6.925 -9.850 3.843 1.00 0.00 N ATOM 0 H ASN A 59 6.091 -5.438 5.506 1.00 0.00 H new ATOM 0 HA ASN A 59 4.633 -7.389 4.007 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.092 -7.314 4.185 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.024 -7.394 5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.945 -10.868 3.787 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.185 -9.289 3.032 1.00 0.00 H new ATOM 979 N ARG A 60 4.082 -7.539 7.179 1.00 0.00 N ATOM 980 CA ARG A 60 3.263 -8.263 8.194 1.00 0.00 C ATOM 981 C ARG A 60 1.777 -7.945 8.002 1.00 0.00 C ATOM 982 O ARG A 60 0.948 -8.293 8.821 1.00 0.00 O ATOM 983 CB ARG A 60 3.753 -7.743 9.545 1.00 0.00 C ATOM 984 CG ARG A 60 4.951 -8.576 10.008 1.00 0.00 C ATOM 985 CD ARG A 60 4.454 -9.892 10.611 1.00 0.00 C ATOM 986 NE ARG A 60 5.584 -10.846 10.432 1.00 0.00 N ATOM 987 CZ ARG A 60 6.658 -10.731 11.164 1.00 0.00 C ATOM 988 NH1 ARG A 60 6.744 -9.779 12.054 1.00 0.00 N ATOM 989 NH2 ARG A 60 7.648 -11.567 11.006 1.00 0.00 N ATOM 0 H ARG A 60 4.489 -6.659 7.497 1.00 0.00 H new ATOM 0 HA ARG A 60 3.368 -9.345 8.112 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.036 -6.694 9.462 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.951 -7.799 10.281 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.615 -8.777 9.167 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.530 -8.021 10.746 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.200 -9.773 11.664 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.555 -10.244 10.105 1.00 0.00 H new ATOM 0 HE ARG A 60 5.518 -11.590 9.737 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.971 -9.125 12.177 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.584 -9.690 12.626 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.582 -12.310 10.310 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.488 -11.477 11.578 1.00 0.00 H new ATOM 1003 N LEU A 61 1.433 -7.288 6.930 1.00 0.00 N ATOM 1004 CA LEU A 61 0.000 -6.950 6.690 1.00 0.00 C ATOM 1005 C LEU A 61 -0.448 -7.476 5.323 1.00 0.00 C ATOM 1006 O LEU A 61 -0.921 -8.588 5.201 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.059 -5.423 6.722 1.00 0.00 C ATOM 1008 CG LEU A 61 -0.523 -4.958 8.103 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -0.163 -3.484 8.294 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -2.039 -5.131 8.215 1.00 0.00 C ATOM 0 H LEU A 61 2.081 -6.970 6.209 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.659 -7.399 7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.923 -5.006 6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.743 -5.059 5.955 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.030 -5.554 8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.494 -3.153 9.278 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.917 -3.360 8.214 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.655 -2.887 7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.371 -4.800 9.199 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.531 -4.535 7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.296 -6.182 8.080 1.00 0.00 H new ATOM 1022 N THR A 62 -0.304 -6.684 4.296 1.00 0.00 N ATOM 1023 CA THR A 62 -0.724 -7.142 2.940 1.00 0.00 C ATOM 1024 C THR A 62 0.475 -7.715 2.179 1.00 0.00 C ATOM 1025 O THR A 62 0.584 -8.910 1.987 1.00 0.00 O ATOM 1026 CB THR A 62 -1.251 -5.886 2.244 1.00 0.00 C ATOM 1027 OG1 THR A 62 -2.443 -5.457 2.887 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.543 -6.199 0.777 1.00 0.00 C ATOM 0 H THR A 62 0.085 -5.742 4.336 1.00 0.00 H new ATOM 0 HA THR A 62 -1.476 -7.930 2.985 1.00 0.00 H new ATOM 0 HB THR A 62 -0.503 -5.096 2.301 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.233 -5.151 3.794 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.919 -5.304 0.282 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.627 -6.528 0.286 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.292 -6.989 0.716 1.00 0.00 H new ATOM 1036 N THR A 63 1.372 -6.871 1.742 1.00 0.00 N ATOM 1037 CA THR A 63 2.566 -7.363 0.991 1.00 0.00 C ATOM 1038 C THR A 63 2.165 -7.802 -0.421 1.00 0.00 C ATOM 1039 O THR A 63 2.997 -8.183 -1.221 1.00 0.00 O ATOM 1040 CB THR A 63 3.086 -8.554 1.799 1.00 0.00 C ATOM 1041 OG1 THR A 63 2.757 -8.374 3.169 1.00 0.00 O ATOM 1042 CG2 THR A 63 4.604 -8.655 1.647 1.00 0.00 C ATOM 0 H THR A 63 1.330 -5.860 1.873 1.00 0.00 H new ATOM 0 HA THR A 63 3.325 -6.589 0.876 1.00 0.00 H new ATOM 0 HB THR A 63 2.626 -9.471 1.431 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.327 -8.950 3.721 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.972 -9.504 2.223 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.856 -8.794 0.596 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.068 -7.739 2.013 1.00 0.00 H new ATOM 1050 N ASP A 64 0.900 -7.750 -0.738 1.00 0.00 N ATOM 1051 CA ASP A 64 0.454 -8.162 -2.100 1.00 0.00 C ATOM 1052 C ASP A 64 0.582 -6.988 -3.073 1.00 0.00 C ATOM 1053 O ASP A 64 -0.178 -6.041 -3.020 1.00 0.00 O ATOM 1054 CB ASP A 64 -1.012 -8.564 -1.933 1.00 0.00 C ATOM 1055 CG ASP A 64 -1.120 -10.089 -1.884 1.00 0.00 C ATOM 1056 OD1 ASP A 64 -0.113 -10.726 -1.619 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -2.207 -10.595 -2.111 1.00 0.00 O ATOM 0 H ASP A 64 0.156 -7.440 -0.113 1.00 0.00 H new ATOM 0 HA ASP A 64 1.055 -8.977 -2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.417 -8.130 -1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.604 -8.173 -2.761 1.00 0.00 H new ATOM 1062 N PHE A 65 1.539 -7.039 -3.957 1.00 0.00 N ATOM 1063 CA PHE A 65 1.717 -5.924 -4.929 1.00 0.00 C ATOM 1064 C PHE A 65 0.363 -5.498 -5.506 1.00 0.00 C ATOM 1065 O PHE A 65 0.072 -4.325 -5.622 1.00 0.00 O ATOM 1066 CB PHE A 65 2.612 -6.493 -6.029 1.00 0.00 C ATOM 1067 CG PHE A 65 4.046 -6.520 -5.555 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.565 -5.447 -4.815 1.00 0.00 C ATOM 1069 CD2 PHE A 65 4.861 -7.617 -5.859 1.00 0.00 C ATOM 1070 CE1 PHE A 65 5.894 -5.476 -4.382 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.191 -7.644 -5.426 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.707 -6.574 -4.686 1.00 0.00 C ATOM 0 H PHE A 65 2.206 -7.805 -4.049 1.00 0.00 H new ATOM 0 HA PHE A 65 2.154 -5.041 -4.464 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.287 -7.500 -6.292 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.528 -5.886 -6.930 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.938 -4.599 -4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.462 -8.444 -6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.294 -4.650 -3.812 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.819 -8.490 -5.663 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.733 -6.596 -4.349 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.465 -6.437 -5.877 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.791 -6.067 -6.449 1.00 0.00 C ATOM 1084 C ASN A 66 -2.707 -5.509 -5.356 1.00 0.00 C ATOM 1085 O ASN A 66 -3.393 -4.525 -5.550 1.00 0.00 O ATOM 1086 CB ASN A 66 -2.359 -7.371 -7.008 1.00 0.00 C ATOM 1087 CG ASN A 66 -2.242 -7.367 -8.534 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -2.956 -6.651 -9.208 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -1.364 -8.141 -9.111 1.00 0.00 N ATOM 0 H ASN A 66 -0.282 -7.438 -5.809 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.707 -5.296 -7.215 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.819 -8.222 -6.594 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.403 -7.481 -6.713 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.277 -8.145 -10.127 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.764 -8.742 -8.546 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.723 -6.125 -4.204 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.592 -5.622 -3.101 1.00 0.00 C ATOM 1098 C VAL A 67 -3.031 -4.316 -2.532 1.00 0.00 C ATOM 1099 O VAL A 67 -3.757 -3.376 -2.271 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.564 -6.724 -2.042 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -4.548 -6.381 -0.921 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -3.966 -8.055 -2.682 1.00 0.00 C ATOM 0 H VAL A 67 -2.172 -6.954 -3.979 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.605 -5.407 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.558 -6.806 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.528 -7.167 -0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.264 -5.433 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.554 -6.299 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.946 -8.842 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.972 -7.972 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.266 -8.301 -3.481 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.744 -4.258 -2.328 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.128 -3.021 -1.765 1.00 0.00 C ATOM 1114 C ILE A 68 -1.325 -1.841 -2.718 1.00 0.00 C ATOM 1115 O ILE A 68 -1.706 -0.761 -2.314 1.00 0.00 O ATOM 1116 CB ILE A 68 0.358 -3.359 -1.624 1.00 0.00 C ATOM 1117 CG1 ILE A 68 1.029 -2.345 -0.688 1.00 0.00 C ATOM 1118 CG2 ILE A 68 1.034 -3.327 -2.996 1.00 0.00 C ATOM 1119 CD1 ILE A 68 2.175 -1.639 -1.416 1.00 0.00 C ATOM 0 H ILE A 68 -1.090 -5.015 -2.527 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.577 -2.730 -0.815 1.00 0.00 H new ATOM 0 HB ILE A 68 0.460 -4.360 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.297 -1.612 -0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.408 -2.852 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.091 -3.569 -2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.561 -4.058 -3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.932 -2.332 -3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.645 -0.921 -0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.913 -2.376 -1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.784 -1.117 -2.289 1.00 0.00 H new ATOM 1131 N VAL A 69 -1.066 -2.040 -3.976 1.00 0.00 N ATOM 1132 CA VAL A 69 -1.233 -0.926 -4.956 1.00 0.00 C ATOM 1133 C VAL A 69 -2.712 -0.551 -5.092 1.00 0.00 C ATOM 1134 O VAL A 69 -3.064 0.609 -5.125 1.00 0.00 O ATOM 1135 CB VAL A 69 -0.696 -1.471 -6.281 1.00 0.00 C ATOM 1136 CG1 VAL A 69 0.764 -1.893 -6.108 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -1.529 -2.680 -6.710 1.00 0.00 C ATOM 0 H VAL A 69 -0.746 -2.924 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.705 -0.025 -4.643 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.760 -0.695 -7.044 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.145 -2.281 -7.053 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.358 -1.031 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.831 -2.668 -5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.147 -3.069 -7.654 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.466 -3.455 -5.946 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.569 -2.379 -6.836 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.580 -1.523 -5.174 1.00 0.00 N ATOM 1148 CA GLU A 70 -5.033 -1.216 -5.315 1.00 0.00 C ATOM 1149 C GLU A 70 -5.521 -0.368 -4.136 1.00 0.00 C ATOM 1150 O GLU A 70 -6.235 0.600 -4.311 1.00 0.00 O ATOM 1151 CB GLU A 70 -5.729 -2.577 -5.319 1.00 0.00 C ATOM 1152 CG GLU A 70 -7.044 -2.476 -6.095 1.00 0.00 C ATOM 1153 CD GLU A 70 -7.847 -3.765 -5.911 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -7.355 -4.808 -6.307 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -8.940 -3.687 -5.375 1.00 0.00 O ATOM 0 H GLU A 70 -3.346 -2.516 -5.150 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.243 -0.646 -6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.082 -3.327 -5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.922 -2.902 -4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.622 -1.622 -5.742 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.842 -2.309 -7.153 1.00 0.00 H new ATOM 1162 N ALA A 71 -5.147 -0.723 -2.938 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.596 0.067 -1.755 1.00 0.00 C ATOM 1164 C ALA A 71 -5.019 1.484 -1.809 1.00 0.00 C ATOM 1165 O ALA A 71 -5.732 2.460 -1.690 1.00 0.00 O ATOM 1166 CB ALA A 71 -5.048 -0.689 -0.544 1.00 0.00 C ATOM 0 H ALA A 71 -4.552 -1.524 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.680 0.170 -1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.336 -0.170 0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.456 -1.700 -0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.961 -0.737 -0.607 1.00 0.00 H new ATOM 1172 N LEU A 72 -3.731 1.603 -1.983 1.00 0.00 N ATOM 1173 CA LEU A 72 -3.107 2.956 -2.041 1.00 0.00 C ATOM 1174 C LEU A 72 -3.422 3.640 -3.376 1.00 0.00 C ATOM 1175 O LEU A 72 -3.477 4.849 -3.464 1.00 0.00 O ATOM 1176 CB LEU A 72 -1.604 2.704 -1.906 1.00 0.00 C ATOM 1177 CG LEU A 72 -1.061 2.133 -3.216 1.00 0.00 C ATOM 1178 CD1 LEU A 72 -0.728 3.278 -4.174 1.00 0.00 C ATOM 1179 CD2 LEU A 72 0.208 1.325 -2.931 1.00 0.00 C ATOM 0 H LEU A 72 -3.084 0.822 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.484 3.614 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.090 3.633 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.413 2.009 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.813 1.487 -3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.341 2.870 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.629 3.857 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.024 3.924 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.597 0.917 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.958 1.973 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.026 0.509 -2.248 1.00 0.00 H new ATOM 1191 N SER A 73 -3.617 2.876 -4.416 1.00 0.00 N ATOM 1192 CA SER A 73 -3.915 3.490 -5.744 1.00 0.00 C ATOM 1193 C SER A 73 -5.219 4.291 -5.696 1.00 0.00 C ATOM 1194 O SER A 73 -5.357 5.301 -6.357 1.00 0.00 O ATOM 1195 CB SER A 73 -4.051 2.311 -6.707 1.00 0.00 C ATOM 1196 OG SER A 73 -5.000 1.388 -6.188 1.00 0.00 O ATOM 0 H SER A 73 -3.583 1.857 -4.405 1.00 0.00 H new ATOM 0 HA SER A 73 -3.134 4.185 -6.051 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.368 2.663 -7.689 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.086 1.822 -6.840 1.00 0.00 H new ATOM 0 HG SER A 73 -5.242 1.647 -5.274 1.00 0.00 H new ATOM 1202 N LYS A 74 -6.181 3.851 -4.932 1.00 0.00 N ATOM 1203 CA LYS A 74 -7.471 4.598 -4.869 1.00 0.00 C ATOM 1204 C LYS A 74 -7.692 5.188 -3.473 1.00 0.00 C ATOM 1205 O LYS A 74 -8.446 6.126 -3.302 1.00 0.00 O ATOM 1206 CB LYS A 74 -8.544 3.558 -5.186 1.00 0.00 C ATOM 1207 CG LYS A 74 -8.232 2.893 -6.528 1.00 0.00 C ATOM 1208 CD LYS A 74 -8.970 3.631 -7.647 1.00 0.00 C ATOM 1209 CE LYS A 74 -8.195 4.894 -8.027 1.00 0.00 C ATOM 1210 NZ LYS A 74 -9.130 6.018 -7.745 1.00 0.00 N ATOM 0 H LYS A 74 -6.132 3.013 -4.352 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.490 5.436 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.582 2.807 -4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.525 4.032 -5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.158 2.910 -6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.535 1.846 -6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.076 2.982 -8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.976 3.894 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.279 4.986 -7.443 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.903 4.877 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.669 6.920 -7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.989 5.907 -8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.385 6.013 -6.737 1.00 0.00 H new ATOM 1224 N SER A 75 -7.048 4.654 -2.472 1.00 0.00 N ATOM 1225 CA SER A 75 -7.235 5.197 -1.096 1.00 0.00 C ATOM 1226 C SER A 75 -5.978 5.943 -0.645 1.00 0.00 C ATOM 1227 O SER A 75 -4.908 5.373 -0.555 1.00 0.00 O ATOM 1228 CB SER A 75 -7.473 3.973 -0.215 1.00 0.00 C ATOM 1229 OG SER A 75 -7.932 2.897 -1.022 1.00 0.00 O ATOM 0 H SER A 75 -6.402 3.868 -2.546 1.00 0.00 H new ATOM 0 HA SER A 75 -8.062 5.905 -1.043 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.551 3.693 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.207 4.203 0.557 1.00 0.00 H new ATOM 0 HG SER A 75 -7.165 2.380 -1.345 1.00 0.00 H new ATOM 1235 N LYS A 76 -6.094 7.210 -0.361 1.00 0.00 N ATOM 1236 CA LYS A 76 -4.900 7.983 0.084 1.00 0.00 C ATOM 1237 C LYS A 76 -3.869 8.046 -1.046 1.00 0.00 C ATOM 1238 O LYS A 76 -2.691 8.241 -0.817 1.00 0.00 O ATOM 1239 CB LYS A 76 -4.344 7.205 1.276 1.00 0.00 C ATOM 1240 CG LYS A 76 -4.105 8.163 2.445 1.00 0.00 C ATOM 1241 CD LYS A 76 -2.724 8.805 2.305 1.00 0.00 C ATOM 1242 CE LYS A 76 -2.008 8.780 3.657 1.00 0.00 C ATOM 1243 NZ LYS A 76 -0.574 8.556 3.328 1.00 0.00 N ATOM 0 H LYS A 76 -6.962 7.743 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.146 9.011 0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.043 6.422 1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.412 6.712 0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.876 8.933 2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.173 7.624 3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.136 8.268 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.823 9.832 1.953 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.148 9.717 4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.396 7.985 4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.022 9.105 3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.350 7.545 3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.390 8.861 2.351 1.00 0.00 H new ATOM 1257 N ALA A 77 -4.305 7.880 -2.265 1.00 0.00 N ATOM 1258 CA ALA A 77 -3.353 7.928 -3.413 1.00 0.00 C ATOM 1259 C ALA A 77 -3.125 9.366 -3.853 1.00 0.00 C ATOM 1260 O ALA A 77 -2.617 9.638 -4.923 1.00 0.00 O ATOM 1261 CB ALA A 77 -4.004 7.107 -4.525 1.00 0.00 C ATOM 0 H ALA A 77 -5.279 7.713 -2.516 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.375 7.526 -3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.355 7.101 -5.401 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.157 6.084 -4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.965 7.549 -4.789 1.00 0.00 H new ATOM 1267 N GLU A 78 -3.501 10.277 -3.024 1.00 0.00 N ATOM 1268 CA GLU A 78 -3.322 11.719 -3.355 1.00 0.00 C ATOM 1269 C GLU A 78 -2.099 12.279 -2.629 1.00 0.00 C ATOM 1270 O GLU A 78 -1.406 13.140 -3.133 1.00 0.00 O ATOM 1271 CB GLU A 78 -4.602 12.402 -2.867 1.00 0.00 C ATOM 1272 CG GLU A 78 -4.611 12.444 -1.337 1.00 0.00 C ATOM 1273 CD GLU A 78 -3.781 13.635 -0.854 1.00 0.00 C ATOM 1274 OE1 GLU A 78 -3.372 14.424 -1.690 1.00 0.00 O ATOM 1275 OE2 GLU A 78 -3.570 13.739 0.343 1.00 0.00 O ATOM 0 H GLU A 78 -3.931 10.093 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.158 11.882 -4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.662 13.413 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.476 11.862 -3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.634 12.528 -0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.204 11.516 -0.935 1.00 0.00 H new ATOM 1282 N LEU A 79 -1.827 11.793 -1.452 1.00 0.00 N ATOM 1283 CA LEU A 79 -0.642 12.293 -0.698 1.00 0.00 C ATOM 1284 C LEU A 79 0.585 12.300 -1.612 1.00 0.00 C ATOM 1285 O LEU A 79 1.079 13.340 -2.000 1.00 0.00 O ATOM 1286 CB LEU A 79 -0.457 11.300 0.451 1.00 0.00 C ATOM 1287 CG LEU A 79 0.959 11.424 1.021 1.00 0.00 C ATOM 1288 CD1 LEU A 79 0.883 11.731 2.518 1.00 0.00 C ATOM 1289 CD2 LEU A 79 1.707 10.104 0.811 1.00 0.00 C ATOM 0 H LEU A 79 -2.372 11.072 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.775 13.311 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.192 11.493 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.629 10.284 0.097 1.00 0.00 H new ATOM 0 HG LEU A 79 1.487 12.230 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.891 11.819 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.348 12.668 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.356 10.925 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.716 10.189 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.177 9.300 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.761 9.882 -0.255 1.00 0.00 H new ATOM 1301 N MET A 80 1.080 11.144 -1.955 1.00 0.00 N ATOM 1302 CA MET A 80 2.277 11.075 -2.841 1.00 0.00 C ATOM 1303 C MET A 80 1.852 10.849 -4.293 1.00 0.00 C ATOM 1304 O MET A 80 0.723 11.098 -4.667 1.00 0.00 O ATOM 1305 CB MET A 80 3.076 9.880 -2.324 1.00 0.00 C ATOM 1306 CG MET A 80 4.110 10.360 -1.304 1.00 0.00 C ATOM 1307 SD MET A 80 5.341 9.060 -1.036 1.00 0.00 S ATOM 1308 CE MET A 80 4.217 7.648 -1.169 1.00 0.00 C ATOM 0 H MET A 80 0.707 10.242 -1.660 1.00 0.00 H new ATOM 0 HA MET A 80 2.859 11.997 -2.824 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.407 9.153 -1.864 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.574 9.376 -3.152 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.596 11.268 -1.662 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.620 10.611 -0.363 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.755 6.731 -0.928 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.388 7.776 -0.473 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.831 7.585 -2.186 1.00 0.00 H new ATOM 1318 N GLU A 81 2.750 10.378 -5.113 1.00 0.00 N ATOM 1319 CA GLU A 81 2.401 10.137 -6.542 1.00 0.00 C ATOM 1320 C GLU A 81 2.705 8.686 -6.926 1.00 0.00 C ATOM 1321 O GLU A 81 3.627 8.078 -6.416 1.00 0.00 O ATOM 1322 CB GLU A 81 3.290 11.097 -7.334 1.00 0.00 C ATOM 1323 CG GLU A 81 2.663 12.493 -7.333 1.00 0.00 C ATOM 1324 CD GLU A 81 2.868 13.146 -8.701 1.00 0.00 C ATOM 1325 OE1 GLU A 81 2.228 12.711 -9.645 1.00 0.00 O ATOM 1326 OE2 GLU A 81 3.660 14.070 -8.782 1.00 0.00 O ATOM 0 H GLU A 81 3.710 10.149 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 81 1.342 10.302 -6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.286 11.134 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.407 10.740 -8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.599 12.425 -7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.116 13.106 -6.554 1.00 0.00 H new ATOM 1333 N ILE A 82 1.938 8.128 -7.823 1.00 0.00 N ATOM 1334 CA ILE A 82 2.181 6.719 -8.245 1.00 0.00 C ATOM 1335 C ILE A 82 2.396 6.655 -9.760 1.00 0.00 C ATOM 1336 O ILE A 82 1.776 7.377 -10.515 1.00 0.00 O ATOM 1337 CB ILE A 82 0.916 5.960 -7.847 1.00 0.00 C ATOM 1338 CG1 ILE A 82 0.569 6.279 -6.390 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.155 4.457 -7.995 1.00 0.00 C ATOM 1340 CD1 ILE A 82 -0.217 7.589 -6.326 1.00 0.00 C ATOM 0 H ILE A 82 1.152 8.588 -8.283 1.00 0.00 H new ATOM 0 HA ILE A 82 3.070 6.294 -7.779 1.00 0.00 H new ATOM 0 HB ILE A 82 0.092 6.262 -8.493 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.019 5.469 -5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.480 6.360 -5.798 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.253 3.915 -7.711 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.404 4.229 -9.031 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.979 4.154 -7.348 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.463 7.815 -5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.387 8.396 -6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.136 7.491 -6.904 1.00 0.00 H new ATOM 1352 N SER A 83 3.273 5.800 -10.211 1.00 0.00 N ATOM 1353 CA SER A 83 3.530 5.699 -11.677 1.00 0.00 C ATOM 1354 C SER A 83 2.307 5.126 -12.400 1.00 0.00 C ATOM 1355 O SER A 83 1.231 5.026 -11.844 1.00 0.00 O ATOM 1356 CB SER A 83 4.717 4.749 -11.807 1.00 0.00 C ATOM 1357 OG SER A 83 5.540 5.173 -12.885 1.00 0.00 O ATOM 0 H SER A 83 3.822 5.168 -9.629 1.00 0.00 H new ATOM 0 HA SER A 83 3.732 6.673 -12.123 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.290 4.735 -10.880 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.366 3.732 -11.980 1.00 0.00 H new ATOM 0 HG SER A 83 6.299 5.684 -12.535 1.00 0.00 H new ATOM 1363 N GLU A 84 2.467 4.755 -13.642 1.00 0.00 N ATOM 1364 CA GLU A 84 1.317 4.195 -14.412 1.00 0.00 C ATOM 1365 C GLU A 84 1.145 2.700 -14.126 1.00 0.00 C ATOM 1366 O GLU A 84 0.042 2.189 -14.100 1.00 0.00 O ATOM 1367 CB GLU A 84 1.667 4.416 -15.887 1.00 0.00 C ATOM 1368 CG GLU A 84 3.148 4.108 -16.129 1.00 0.00 C ATOM 1369 CD GLU A 84 3.308 3.393 -17.472 1.00 0.00 C ATOM 1370 OE1 GLU A 84 2.316 3.249 -18.167 1.00 0.00 O ATOM 1371 OE2 GLU A 84 4.421 3.004 -17.783 1.00 0.00 O ATOM 0 H GLU A 84 3.345 4.815 -14.158 1.00 0.00 H new ATOM 0 HA GLU A 84 0.379 4.678 -14.137 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.047 3.777 -16.516 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.451 5.446 -16.170 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.728 5.031 -16.125 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.537 3.484 -15.324 1.00 0.00 H new ATOM 1378 N ASP A 85 2.220 1.988 -13.925 1.00 0.00 N ATOM 1379 CA ASP A 85 2.100 0.526 -13.657 1.00 0.00 C ATOM 1380 C ASP A 85 1.531 0.279 -12.257 1.00 0.00 C ATOM 1381 O ASP A 85 1.132 -0.821 -11.927 1.00 0.00 O ATOM 1382 CB ASP A 85 3.528 -0.011 -13.759 1.00 0.00 C ATOM 1383 CG ASP A 85 3.614 -1.022 -14.902 1.00 0.00 C ATOM 1384 OD1 ASP A 85 2.572 -1.488 -15.334 1.00 0.00 O ATOM 1385 OD2 ASP A 85 4.720 -1.315 -15.327 1.00 0.00 O ATOM 0 H ASP A 85 3.172 2.353 -13.935 1.00 0.00 H new ATOM 0 HA ASP A 85 1.425 0.035 -14.358 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.224 0.809 -13.932 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.818 -0.483 -12.820 1.00 0.00 H new ATOM 1390 N LYS A 86 1.488 1.287 -11.431 1.00 0.00 N ATOM 1391 CA LYS A 86 0.941 1.099 -10.056 1.00 0.00 C ATOM 1392 C LYS A 86 1.803 0.105 -9.271 1.00 0.00 C ATOM 1393 O LYS A 86 1.346 -0.526 -8.339 1.00 0.00 O ATOM 1394 CB LYS A 86 -0.465 0.539 -10.264 1.00 0.00 C ATOM 1395 CG LYS A 86 -1.406 1.112 -9.203 1.00 0.00 C ATOM 1396 CD LYS A 86 -2.815 0.554 -9.415 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.355 1.029 -10.766 1.00 0.00 C ATOM 1398 NZ LYS A 86 -3.220 -0.148 -11.668 1.00 0.00 N ATOM 0 H LYS A 86 1.807 2.231 -11.647 1.00 0.00 H new ATOM 0 HA LYS A 86 0.932 2.028 -9.486 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.825 0.794 -11.261 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.447 -0.549 -10.200 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.048 0.854 -8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.421 2.200 -9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.795 -0.535 -9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.473 0.885 -8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.394 1.348 -10.686 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.788 1.881 -11.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.919 0.170 -12.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.510 -0.802 -11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.136 -0.635 -11.742 1.00 0.00 H new ATOM 1412 N THR A 87 3.049 -0.037 -9.638 1.00 0.00 N ATOM 1413 CA THR A 87 3.939 -0.988 -8.909 1.00 0.00 C ATOM 1414 C THR A 87 5.118 -0.231 -8.294 1.00 0.00 C ATOM 1415 O THR A 87 6.202 -0.761 -8.144 1.00 0.00 O ATOM 1416 CB THR A 87 4.428 -1.968 -9.976 1.00 0.00 C ATOM 1417 OG1 THR A 87 4.924 -1.242 -11.092 1.00 0.00 O ATOM 1418 CG2 THR A 87 3.270 -2.864 -10.421 1.00 0.00 C ATOM 0 H THR A 87 3.489 0.464 -10.410 1.00 0.00 H new ATOM 0 HA THR A 87 3.426 -1.498 -8.094 1.00 0.00 H new ATOM 0 HB THR A 87 5.224 -2.587 -9.562 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.239 -1.869 -11.776 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.621 -3.561 -11.181 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.891 -3.422 -9.564 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.472 -2.248 -10.835 1.00 0.00 H new ATOM 1426 N LYS A 88 4.915 1.009 -7.943 1.00 0.00 N ATOM 1427 CA LYS A 88 6.019 1.814 -7.345 1.00 0.00 C ATOM 1428 C LYS A 88 5.440 3.026 -6.607 1.00 0.00 C ATOM 1429 O LYS A 88 4.345 3.471 -6.891 1.00 0.00 O ATOM 1430 CB LYS A 88 6.883 2.256 -8.526 1.00 0.00 C ATOM 1431 CG LYS A 88 6.020 2.995 -9.548 1.00 0.00 C ATOM 1432 CD LYS A 88 5.945 2.176 -10.839 1.00 0.00 C ATOM 1433 CE LYS A 88 6.871 2.792 -11.890 1.00 0.00 C ATOM 1434 NZ LYS A 88 6.290 2.382 -13.199 1.00 0.00 N ATOM 0 H LYS A 88 4.028 1.502 -8.045 1.00 0.00 H new ATOM 0 HA LYS A 88 6.600 1.246 -6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.687 2.904 -8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.352 1.389 -8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.019 3.155 -9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.442 3.979 -9.753 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.235 1.143 -10.644 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.920 2.155 -11.210 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.908 3.877 -11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.892 2.427 -11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.054 2.247 -13.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.767 1.491 -13.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.642 3.122 -13.538 1.00 0.00 H new ATOM 1448 N ILE A 89 6.166 3.569 -5.669 1.00 0.00 N ATOM 1449 CA ILE A 89 5.660 4.755 -4.922 1.00 0.00 C ATOM 1450 C ILE A 89 6.776 5.793 -4.777 1.00 0.00 C ATOM 1451 O ILE A 89 7.943 5.460 -4.734 1.00 0.00 O ATOM 1452 CB ILE A 89 5.240 4.216 -3.556 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.299 3.235 -3.047 1.00 0.00 C ATOM 1454 CG2 ILE A 89 3.900 3.492 -3.692 1.00 0.00 C ATOM 1455 CD1 ILE A 89 6.465 3.402 -1.536 1.00 0.00 C ATOM 0 H ILE A 89 7.090 3.242 -5.387 1.00 0.00 H new ATOM 0 HA ILE A 89 4.831 5.247 -5.431 1.00 0.00 H new ATOM 0 HB ILE A 89 5.142 5.041 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.004 2.212 -3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.249 3.416 -3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.595 3.105 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.146 4.188 -4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.003 2.666 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 89 7.219 2.703 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.779 4.422 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.515 3.200 -1.041 1.00 0.00 H new ATOM 1467 N ARG A 90 6.431 7.050 -4.713 1.00 0.00 N ATOM 1468 CA ARG A 90 7.479 8.104 -4.586 1.00 0.00 C ATOM 1469 C ARG A 90 6.941 9.302 -3.797 1.00 0.00 C ATOM 1470 O ARG A 90 5.749 9.515 -3.710 1.00 0.00 O ATOM 1471 CB ARG A 90 7.804 8.508 -6.026 1.00 0.00 C ATOM 1472 CG ARG A 90 8.441 9.898 -6.042 1.00 0.00 C ATOM 1473 CD ARG A 90 8.839 10.260 -7.474 1.00 0.00 C ATOM 1474 NE ARG A 90 7.562 10.634 -8.144 1.00 0.00 N ATOM 1475 CZ ARG A 90 7.582 11.329 -9.249 1.00 0.00 C ATOM 1476 NH1 ARG A 90 8.721 11.697 -9.770 1.00 0.00 N ATOM 1477 NH2 ARG A 90 6.462 11.657 -9.832 1.00 0.00 N ATOM 0 H ARG A 90 5.471 7.393 -4.743 1.00 0.00 H new ATOM 0 HA ARG A 90 8.360 7.749 -4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.483 7.782 -6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.895 8.507 -6.628 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.740 10.635 -5.650 1.00 0.00 H new ATOM 0 HG3 ARG A 90 9.317 9.916 -5.394 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.550 11.086 -7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.317 9.419 -7.976 1.00 0.00 H new ATOM 0 HE ARG A 90 6.671 10.347 -7.739 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.597 11.442 -9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.735 12.240 -10.633 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.572 11.370 -9.424 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.476 12.200 -10.695 1.00 0.00 H new ATOM 1491 N ARG A 91 7.815 10.096 -3.239 1.00 0.00 N ATOM 1492 CA ARG A 91 7.356 11.291 -2.476 1.00 0.00 C ATOM 1493 C ARG A 91 7.268 12.488 -3.424 1.00 0.00 C ATOM 1494 O ARG A 91 8.145 12.709 -4.234 1.00 0.00 O ATOM 1495 CB ARG A 91 8.429 11.524 -1.410 1.00 0.00 C ATOM 1496 CG ARG A 91 7.762 11.908 -0.087 1.00 0.00 C ATOM 1497 CD ARG A 91 7.856 13.423 0.116 1.00 0.00 C ATOM 1498 NE ARG A 91 6.659 13.776 0.927 1.00 0.00 N ATOM 1499 CZ ARG A 91 6.255 15.016 0.989 1.00 0.00 C ATOM 1500 NH1 ARG A 91 6.902 15.947 0.342 1.00 0.00 N ATOM 1501 NH2 ARG A 91 5.204 15.326 1.699 1.00 0.00 N ATOM 0 H ARG A 91 8.826 9.968 -3.279 1.00 0.00 H new ATOM 0 HA ARG A 91 6.373 11.154 -2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.028 10.623 -1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.108 12.314 -1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.718 11.596 -0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.247 11.389 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.777 13.696 0.631 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.856 13.950 -0.838 1.00 0.00 H new ATOM 0 HE ARG A 91 6.154 13.049 1.434 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.724 15.706 -0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.586 16.916 0.391 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.698 14.599 2.206 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.889 16.295 1.747 1.00 0.00 H new ATOM 1515 N SER A 92 6.219 13.258 -3.343 1.00 0.00 N ATOM 1516 CA SER A 92 6.087 14.425 -4.256 1.00 0.00 C ATOM 1517 C SER A 92 7.186 15.449 -3.968 1.00 0.00 C ATOM 1518 O SER A 92 7.161 16.120 -2.955 1.00 0.00 O ATOM 1519 CB SER A 92 4.711 15.014 -3.949 1.00 0.00 C ATOM 1520 OG SER A 92 3.706 14.139 -4.443 1.00 0.00 O ATOM 0 H SER A 92 5.450 13.130 -2.686 1.00 0.00 H new ATOM 0 HA SER A 92 6.184 14.142 -5.304 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.593 15.152 -2.874 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.612 15.997 -4.409 1.00 0.00 H new ATOM 0 HG SER A 92 2.822 14.513 -4.246 1.00 0.00 H new ATOM 1526 N PRO A 93 8.115 15.540 -4.881 1.00 0.00 N ATOM 1527 CA PRO A 93 9.234 16.500 -4.732 1.00 0.00 C ATOM 1528 C PRO A 93 8.683 17.921 -4.795 1.00 0.00 C ATOM 1529 O PRO A 93 9.280 18.859 -4.305 1.00 0.00 O ATOM 1530 CB PRO A 93 10.130 16.212 -5.936 1.00 0.00 C ATOM 1531 CG PRO A 93 9.249 15.510 -6.920 1.00 0.00 C ATOM 1532 CD PRO A 93 8.207 14.771 -6.125 1.00 0.00 C ATOM 0 HA PRO A 93 9.772 16.403 -3.789 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.534 17.133 -6.356 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.980 15.590 -5.655 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.782 16.224 -7.598 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.828 14.820 -7.533 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.251 14.739 -6.648 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.503 13.739 -5.938 1.00 0.00 H new ATOM 1540 N SER A 94 7.537 18.080 -5.397 1.00 0.00 N ATOM 1541 CA SER A 94 6.924 19.429 -5.500 1.00 0.00 C ATOM 1542 C SER A 94 6.066 19.707 -4.266 1.00 0.00 C ATOM 1543 O SER A 94 5.454 20.750 -4.149 1.00 0.00 O ATOM 1544 CB SER A 94 6.055 19.373 -6.755 1.00 0.00 C ATOM 1545 OG SER A 94 6.857 18.994 -7.865 1.00 0.00 O ATOM 0 H SER A 94 6.997 17.327 -5.824 1.00 0.00 H new ATOM 0 HA SER A 94 7.670 20.222 -5.557 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.243 18.659 -6.618 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.597 20.345 -6.938 1.00 0.00 H new ATOM 0 HG SER A 94 6.302 18.955 -8.672 1.00 0.00 H new ATOM 1551 N LYS A 95 6.025 18.792 -3.333 1.00 0.00 N ATOM 1552 CA LYS A 95 5.216 19.023 -2.101 1.00 0.00 C ATOM 1553 C LYS A 95 6.137 19.016 -0.877 1.00 0.00 C ATOM 1554 O LYS A 95 6.935 18.118 -0.709 1.00 0.00 O ATOM 1555 CB LYS A 95 4.234 17.854 -2.042 1.00 0.00 C ATOM 1556 CG LYS A 95 3.024 18.159 -2.928 1.00 0.00 C ATOM 1557 CD LYS A 95 1.746 17.704 -2.220 1.00 0.00 C ATOM 1558 CE LYS A 95 1.292 18.786 -1.237 1.00 0.00 C ATOM 1559 NZ LYS A 95 -0.103 19.113 -1.644 1.00 0.00 N ATOM 0 H LYS A 95 6.515 17.898 -3.371 1.00 0.00 H new ATOM 0 HA LYS A 95 4.697 19.981 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.722 16.938 -2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 95 3.913 17.687 -1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.975 19.227 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.123 17.649 -3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.962 17.511 -2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.925 16.769 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.329 18.426 -0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.935 19.664 -1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.484 19.849 -1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.106 19.459 -2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.694 18.260 -1.576 1.00 0.00 H new ATOM 1573 N PRO A 96 5.998 20.025 -0.062 1.00 0.00 N ATOM 1574 CA PRO A 96 6.835 20.137 1.154 1.00 0.00 C ATOM 1575 C PRO A 96 6.470 19.058 2.171 1.00 0.00 C ATOM 1576 O PRO A 96 5.333 18.648 2.285 1.00 0.00 O ATOM 1577 CB PRO A 96 6.514 21.514 1.711 1.00 0.00 C ATOM 1578 CG PRO A 96 5.191 21.884 1.116 1.00 0.00 C ATOM 1579 CD PRO A 96 5.063 21.146 -0.194 1.00 0.00 C ATOM 0 HA PRO A 96 7.895 20.008 0.934 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.464 21.496 2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.283 22.237 1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 96 4.378 21.614 1.790 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.129 22.961 0.958 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.043 20.798 -0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.322 21.784 -1.039 1.00 0.00 H new ATOM 1587 N LEU A 97 7.432 18.626 2.930 1.00 0.00 N ATOM 1588 CA LEU A 97 7.173 17.606 3.973 1.00 0.00 C ATOM 1589 C LEU A 97 7.609 18.177 5.313 1.00 0.00 C ATOM 1590 O LEU A 97 8.754 18.538 5.500 1.00 0.00 O ATOM 1591 CB LEU A 97 7.982 16.365 3.588 1.00 0.00 C ATOM 1592 CG LEU A 97 9.339 16.366 4.294 1.00 0.00 C ATOM 1593 CD1 LEU A 97 9.150 15.962 5.759 1.00 0.00 C ATOM 1594 CD2 LEU A 97 10.270 15.363 3.608 1.00 0.00 C ATOM 0 H LEU A 97 8.400 18.942 2.870 1.00 0.00 H new ATOM 0 HA LEU A 97 6.120 17.337 4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.428 15.466 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.128 16.340 2.508 1.00 0.00 H new ATOM 0 HG LEU A 97 9.775 17.364 4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.116 15.962 6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.484 16.672 6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.715 14.964 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.238 15.363 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.833 14.366 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.403 15.646 2.564 1.00 0.00 H new ATOM 1606 N PRO A 98 6.672 18.276 6.183 1.00 0.00 N ATOM 1607 CA PRO A 98 6.917 18.846 7.513 1.00 0.00 C ATOM 1608 C PRO A 98 7.267 17.762 8.530 1.00 0.00 C ATOM 1609 O PRO A 98 6.929 16.607 8.370 1.00 0.00 O ATOM 1610 CB PRO A 98 5.579 19.462 7.810 1.00 0.00 C ATOM 1611 CG PRO A 98 4.603 18.481 7.233 1.00 0.00 C ATOM 1612 CD PRO A 98 5.274 17.872 6.027 1.00 0.00 C ATOM 0 HA PRO A 98 7.755 19.542 7.556 1.00 0.00 H new ATOM 0 HB2 PRO A 98 5.428 19.595 8.881 1.00 0.00 H new ATOM 0 HB3 PRO A 98 5.479 20.445 7.350 1.00 0.00 H new ATOM 0 HG2 PRO A 98 4.346 17.714 7.963 1.00 0.00 H new ATOM 0 HG3 PRO A 98 3.674 18.977 6.952 1.00 0.00 H new ATOM 0 HD2 PRO A 98 5.168 16.787 6.012 1.00 0.00 H new ATOM 0 HD3 PRO A 98 4.848 18.247 5.097 1.00 0.00 H new ATOM 1620 N GLU A 99 7.945 18.134 9.575 1.00 0.00 N ATOM 1621 CA GLU A 99 8.329 17.137 10.615 1.00 0.00 C ATOM 1622 C GLU A 99 7.262 17.082 11.711 1.00 0.00 C ATOM 1623 O GLU A 99 6.645 18.075 12.042 1.00 0.00 O ATOM 1624 CB GLU A 99 9.655 17.648 11.182 1.00 0.00 C ATOM 1625 CG GLU A 99 10.626 16.477 11.341 1.00 0.00 C ATOM 1626 CD GLU A 99 12.059 16.968 11.126 1.00 0.00 C ATOM 1627 OE1 GLU A 99 12.380 17.325 10.004 1.00 0.00 O ATOM 1628 OE2 GLU A 99 12.812 16.977 12.086 1.00 0.00 O ATOM 0 H GLU A 99 8.253 19.089 9.757 1.00 0.00 H new ATOM 0 HA GLU A 99 8.421 16.129 10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.081 18.400 10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.489 18.130 12.145 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.525 16.040 12.334 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.387 15.693 10.622 1.00 0.00 H new ATOM 1635 N VAL A 100 7.038 15.927 12.275 1.00 0.00 N ATOM 1636 CA VAL A 100 6.011 15.809 13.349 1.00 0.00 C ATOM 1637 C VAL A 100 6.571 16.325 14.676 1.00 0.00 C ATOM 1638 O VAL A 100 7.758 16.256 14.929 1.00 0.00 O ATOM 1639 CB VAL A 100 5.706 14.313 13.441 1.00 0.00 C ATOM 1640 CG1 VAL A 100 5.370 13.775 12.049 1.00 0.00 C ATOM 1641 CG2 VAL A 100 6.933 13.578 13.988 1.00 0.00 C ATOM 0 H VAL A 100 7.521 15.060 12.039 1.00 0.00 H new ATOM 0 HA VAL A 100 5.118 16.395 13.133 1.00 0.00 H new ATOM 0 HB VAL A 100 4.858 14.154 14.107 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.153 12.709 12.114 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.499 14.300 11.657 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.219 13.932 11.383 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.718 12.511 14.055 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.780 13.737 13.320 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.175 13.962 14.979 1.00 0.00 H new ATOM 1651 N THR A 101 5.727 16.843 15.526 1.00 0.00 N ATOM 1652 CA THR A 101 6.213 17.365 16.835 1.00 0.00 C ATOM 1653 C THR A 101 6.269 16.235 17.867 1.00 0.00 C ATOM 1654 O THR A 101 5.463 15.327 17.852 1.00 0.00 O ATOM 1655 CB THR A 101 5.184 18.418 17.249 1.00 0.00 C ATOM 1656 OG1 THR A 101 3.887 17.838 17.238 1.00 0.00 O ATOM 1657 CG2 THR A 101 5.229 19.591 16.269 1.00 0.00 C ATOM 0 H THR A 101 4.722 16.927 15.371 1.00 0.00 H new ATOM 0 HA THR A 101 7.218 17.782 16.766 1.00 0.00 H new ATOM 0 HB THR A 101 5.414 18.778 18.252 1.00 0.00 H new ATOM 0 HG1 THR A 101 3.226 18.510 17.505 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.495 20.341 16.565 1.00 0.00 H new ATOM 0 HG22 THR A 101 6.225 20.034 16.278 1.00 0.00 H new ATOM 0 HG23 THR A 101 4.999 19.235 15.265 1.00 0.00 H new ATOM 1665 N ASP A 102 7.216 16.285 18.763 1.00 0.00 N ATOM 1666 CA ASP A 102 7.323 15.214 19.795 1.00 0.00 C ATOM 1667 C ASP A 102 6.484 15.579 21.022 1.00 0.00 C ATOM 1668 O ASP A 102 6.361 16.733 21.383 1.00 0.00 O ATOM 1669 CB ASP A 102 8.808 15.160 20.157 1.00 0.00 C ATOM 1670 CG ASP A 102 9.586 14.496 19.020 1.00 0.00 C ATOM 1671 OD1 ASP A 102 9.126 13.479 18.528 1.00 0.00 O ATOM 1672 OD2 ASP A 102 10.630 15.017 18.660 1.00 0.00 O ATOM 0 H ASP A 102 7.920 17.020 18.826 1.00 0.00 H new ATOM 0 HA ASP A 102 6.957 14.253 19.434 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.187 16.167 20.332 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.948 14.601 21.082 1.00 0.00 H new ATOM 1677 N GLU A 103 5.906 14.604 21.669 1.00 0.00 N ATOM 1678 CA GLU A 103 5.076 14.897 22.872 1.00 0.00 C ATOM 1679 C GLU A 103 3.908 15.813 22.496 1.00 0.00 C ATOM 1680 O GLU A 103 4.157 16.975 22.221 1.00 0.00 O ATOM 1681 CB GLU A 103 6.022 15.604 23.842 1.00 0.00 C ATOM 1682 CG GLU A 103 6.204 14.745 25.094 1.00 0.00 C ATOM 1683 CD GLU A 103 5.087 15.053 26.092 1.00 0.00 C ATOM 1684 OE1 GLU A 103 4.836 16.224 26.327 1.00 0.00 O ATOM 1685 OE2 GLU A 103 4.499 14.114 26.603 1.00 0.00 O ATOM 1686 OXT GLU A 103 2.785 15.336 22.490 1.00 0.00 O ATOM 0 H GLU A 103 5.973 13.618 21.417 1.00 0.00 H new ATOM 0 HA GLU A 103 4.645 13.996 23.308 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.986 15.778 23.364 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.619 16.580 24.113 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.187 13.688 24.828 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.175 14.944 25.546 1.00 0.00 H new TER 1693 GLU A 103