USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 752 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 76 ASN : amide:sc= -0.166 K(o=0.53,f=-6.7!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -107:sc= 0.692 (180deg=-0.00531) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0431 USER MOD Single : A 9 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.042) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.621 K(o=-0.62,f=-4.1!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 28 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -109:sc= -0.773 (180deg=-3.57!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -37:sc= 1.05 USER MOD Single : A 37 ASN : amide:sc= -0.0405 K(o=-0.041,f=-1.2) USER MOD Single : A 38 GLN : amide:sc= -0.0206 X(o=-0.021,f=-0.29) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.27) USER MOD Single : A 51 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.15) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 170:sc= -0.667 USER MOD Single : A 64 ASN : amide:sc= -0.677 K(o=-0.68,f=-1.3) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.818 K(o=-0.82,f=-2.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0524) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.833 -35.657 -26.133 1.00 0.00 N ATOM 2 CA GLY A 1 -8.474 -34.910 -25.067 1.00 0.00 C ATOM 3 C GLY A 1 -9.698 -34.153 -25.545 1.00 0.00 C ATOM 4 O GLY A 1 -10.767 -34.245 -24.942 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.002 -36.157 -25.756 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.504 -36.348 -26.525 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.532 -35.003 -26.883 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.763 -35.595 -24.270 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.759 -34.207 -24.640 1.00 0.00 H new ATOM 8 N SER A 2 -9.540 -33.401 -26.629 1.00 0.00 N ATOM 9 CA SER A 2 -10.640 -32.620 -27.184 1.00 0.00 C ATOM 10 C SER A 2 -11.196 -31.651 -26.145 1.00 0.00 C ATOM 11 O SER A 2 -10.719 -31.597 -25.012 1.00 0.00 O ATOM 12 CB SER A 2 -11.751 -33.546 -27.681 1.00 0.00 C ATOM 13 OG SER A 2 -11.983 -33.367 -29.067 1.00 0.00 O ATOM 0 H SER A 2 -8.662 -33.316 -27.141 1.00 0.00 H new ATOM 0 HA SER A 2 -10.255 -32.043 -28.025 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.478 -34.583 -27.486 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.669 -33.348 -27.127 1.00 0.00 H new ATOM 0 HG SER A 2 -12.696 -33.972 -29.360 1.00 0.00 H new ATOM 19 N SER A 3 -12.210 -30.887 -26.541 1.00 0.00 N ATOM 20 CA SER A 3 -12.830 -29.917 -25.646 1.00 0.00 C ATOM 21 C SER A 3 -14.218 -29.528 -26.145 1.00 0.00 C ATOM 22 O SER A 3 -14.678 -30.014 -27.177 1.00 0.00 O ATOM 23 CB SER A 3 -11.952 -28.670 -25.525 1.00 0.00 C ATOM 24 OG SER A 3 -11.667 -28.120 -26.799 1.00 0.00 O ATOM 0 H SER A 3 -12.619 -30.921 -27.475 1.00 0.00 H new ATOM 0 HA SER A 3 -12.932 -30.378 -24.664 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.456 -27.925 -24.909 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.021 -28.925 -25.019 1.00 0.00 H new ATOM 0 HG SER A 3 -11.106 -27.323 -26.693 1.00 0.00 H new ATOM 30 N GLY A 4 -14.882 -28.647 -25.402 1.00 0.00 N ATOM 31 CA GLY A 4 -16.211 -28.207 -25.784 1.00 0.00 C ATOM 32 C GLY A 4 -16.841 -27.298 -24.747 1.00 0.00 C ATOM 33 O GLY A 4 -16.198 -26.373 -24.250 1.00 0.00 O ATOM 0 H GLY A 4 -14.523 -28.231 -24.543 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.156 -27.682 -26.738 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.849 -29.078 -25.935 1.00 0.00 H new ATOM 37 N SER A 5 -18.103 -27.559 -24.422 1.00 0.00 N ATOM 38 CA SER A 5 -18.822 -26.753 -23.442 1.00 0.00 C ATOM 39 C SER A 5 -18.879 -25.292 -23.877 1.00 0.00 C ATOM 40 O SER A 5 -18.034 -24.484 -23.491 1.00 0.00 O ATOM 41 CB SER A 5 -18.153 -26.863 -22.071 1.00 0.00 C ATOM 42 OG SER A 5 -18.834 -27.790 -21.243 1.00 0.00 O ATOM 0 H SER A 5 -18.649 -28.322 -24.823 1.00 0.00 H new ATOM 0 HA SER A 5 -19.841 -27.133 -23.373 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.115 -27.174 -22.193 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.138 -25.885 -21.591 1.00 0.00 H new ATOM 0 HG SER A 5 -18.385 -27.843 -20.373 1.00 0.00 H new ATOM 48 N SER A 6 -19.882 -24.960 -24.684 1.00 0.00 N ATOM 49 CA SER A 6 -20.048 -23.597 -25.176 1.00 0.00 C ATOM 50 C SER A 6 -20.982 -22.802 -24.268 1.00 0.00 C ATOM 51 O SER A 6 -21.670 -23.367 -23.419 1.00 0.00 O ATOM 52 CB SER A 6 -20.596 -23.611 -26.604 1.00 0.00 C ATOM 53 OG SER A 6 -21.152 -24.875 -26.924 1.00 0.00 O ATOM 0 H SER A 6 -20.592 -25.616 -25.011 1.00 0.00 H new ATOM 0 HA SER A 6 -19.071 -23.115 -25.175 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.356 -22.838 -26.713 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.797 -23.373 -27.306 1.00 0.00 H new ATOM 0 HG SER A 6 -21.497 -24.858 -27.841 1.00 0.00 H new ATOM 59 N GLY A 7 -21.001 -21.486 -24.456 1.00 0.00 N ATOM 60 CA GLY A 7 -21.854 -20.634 -23.648 1.00 0.00 C ATOM 61 C GLY A 7 -21.234 -20.299 -22.305 1.00 0.00 C ATOM 62 O GLY A 7 -20.357 -21.014 -21.823 1.00 0.00 O ATOM 0 H GLY A 7 -20.441 -20.995 -25.153 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.059 -19.711 -24.190 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.812 -21.130 -23.489 1.00 0.00 H new ATOM 66 N GLY A 8 -21.691 -19.207 -21.700 1.00 0.00 N ATOM 67 CA GLY A 8 -21.163 -18.797 -20.412 1.00 0.00 C ATOM 68 C GLY A 8 -22.207 -18.122 -19.546 1.00 0.00 C ATOM 69 O GLY A 8 -23.342 -18.589 -19.455 1.00 0.00 O ATOM 0 H GLY A 8 -22.417 -18.599 -22.079 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.771 -19.669 -19.889 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -20.327 -18.115 -20.566 1.00 0.00 H new ATOM 73 N GLN A 9 -21.823 -17.022 -18.906 1.00 0.00 N ATOM 74 CA GLN A 9 -22.735 -16.285 -18.040 1.00 0.00 C ATOM 75 C GLN A 9 -22.275 -14.840 -17.870 1.00 0.00 C ATOM 76 O GLN A 9 -21.241 -14.575 -17.255 1.00 0.00 O ATOM 77 CB GLN A 9 -22.836 -16.964 -16.673 1.00 0.00 C ATOM 78 CG GLN A 9 -23.965 -16.427 -15.809 1.00 0.00 C ATOM 79 CD GLN A 9 -25.133 -17.388 -15.710 1.00 0.00 C ATOM 80 OE1 GLN A 9 -26.275 -17.025 -15.994 1.00 0.00 O ATOM 81 NE2 GLN A 9 -24.853 -18.621 -15.306 1.00 0.00 N ATOM 0 H GLN A 9 -20.887 -16.622 -18.971 1.00 0.00 H new ATOM 0 HA GLN A 9 -23.719 -16.282 -18.509 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -22.979 -18.035 -16.818 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -21.892 -16.837 -16.143 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -23.585 -16.220 -14.809 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -24.313 -15.480 -16.221 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -23.892 -18.878 -15.081 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -25.599 -19.311 -15.220 1.00 0.00 H new ATOM 90 N LEU A 10 -23.049 -13.910 -18.418 1.00 0.00 N ATOM 91 CA LEU A 10 -22.721 -12.491 -18.327 1.00 0.00 C ATOM 92 C LEU A 10 -23.845 -11.715 -17.648 1.00 0.00 C ATOM 93 O LEU A 10 -24.854 -11.391 -18.273 1.00 0.00 O ATOM 94 CB LEU A 10 -22.460 -11.918 -19.721 1.00 0.00 C ATOM 95 CG LEU A 10 -21.214 -12.439 -20.438 1.00 0.00 C ATOM 96 CD1 LEU A 10 -21.500 -13.779 -21.099 1.00 0.00 C ATOM 97 CD2 LEU A 10 -20.728 -11.428 -21.466 1.00 0.00 C ATOM 0 H LEU A 10 -23.908 -14.112 -18.930 1.00 0.00 H new ATOM 0 HA LEU A 10 -21.819 -12.389 -17.724 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -23.328 -12.126 -20.346 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -22.380 -10.834 -19.637 1.00 0.00 H new ATOM 0 HG LEU A 10 -20.426 -12.582 -19.699 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -20.602 -14.134 -21.604 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -21.800 -14.502 -20.341 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -22.303 -13.662 -21.826 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -19.841 -11.816 -21.966 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -21.512 -11.252 -22.202 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.483 -10.491 -20.967 1.00 0.00 H new ATOM 109 N ASP A 11 -23.661 -11.419 -16.366 1.00 0.00 N ATOM 110 CA ASP A 11 -24.658 -10.678 -15.602 1.00 0.00 C ATOM 111 C ASP A 11 -24.112 -9.321 -15.168 1.00 0.00 C ATOM 112 O ASP A 11 -22.908 -9.072 -15.242 1.00 0.00 O ATOM 113 CB ASP A 11 -25.094 -11.482 -14.376 1.00 0.00 C ATOM 114 CG ASP A 11 -23.962 -11.694 -13.390 1.00 0.00 C ATOM 115 OD1 ASP A 11 -23.148 -12.613 -13.611 1.00 0.00 O ATOM 116 OD2 ASP A 11 -23.892 -10.940 -12.396 1.00 0.00 O ATOM 0 H ASP A 11 -22.831 -11.681 -15.834 1.00 0.00 H new ATOM 0 HA ASP A 11 -25.523 -10.513 -16.245 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -25.913 -10.964 -13.878 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -25.478 -12.450 -14.698 1.00 0.00 H new ATOM 121 N LEU A 12 -25.004 -8.447 -14.715 1.00 0.00 N ATOM 122 CA LEU A 12 -24.611 -7.115 -14.270 1.00 0.00 C ATOM 123 C LEU A 12 -23.929 -7.175 -12.907 1.00 0.00 C ATOM 124 O LEU A 12 -24.520 -7.623 -11.924 1.00 0.00 O ATOM 125 CB LEU A 12 -25.834 -6.198 -14.200 1.00 0.00 C ATOM 126 CG LEU A 12 -25.923 -5.115 -15.275 1.00 0.00 C ATOM 127 CD1 LEU A 12 -27.163 -5.314 -16.132 1.00 0.00 C ATOM 128 CD2 LEU A 12 -25.928 -3.732 -14.640 1.00 0.00 C ATOM 0 H LEU A 12 -26.004 -8.637 -14.646 1.00 0.00 H new ATOM 0 HA LEU A 12 -23.902 -6.712 -14.993 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -26.730 -6.816 -14.260 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -25.845 -5.714 -13.223 1.00 0.00 H new ATOM 0 HG LEU A 12 -25.046 -5.195 -15.917 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -27.209 -4.534 -16.892 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -27.118 -6.290 -16.616 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -28.052 -5.262 -15.503 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -25.992 -2.974 -15.420 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -26.786 -3.641 -13.974 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -25.010 -3.590 -14.070 1.00 0.00 H new ATOM 140 N LEU A 13 -22.682 -6.721 -12.855 1.00 0.00 N ATOM 141 CA LEU A 13 -21.918 -6.720 -11.612 1.00 0.00 C ATOM 142 C LEU A 13 -21.237 -5.373 -11.391 1.00 0.00 C ATOM 143 O LEU A 13 -20.957 -4.645 -12.343 1.00 0.00 O ATOM 144 CB LEU A 13 -20.871 -7.836 -11.634 1.00 0.00 C ATOM 145 CG LEU A 13 -20.397 -8.337 -10.269 1.00 0.00 C ATOM 146 CD1 LEU A 13 -21.242 -9.515 -9.809 1.00 0.00 C ATOM 147 CD2 LEU A 13 -18.926 -8.723 -10.325 1.00 0.00 C ATOM 0 H LEU A 13 -22.178 -6.348 -13.660 1.00 0.00 H new ATOM 0 HA LEU A 13 -22.611 -6.895 -10.789 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -21.281 -8.681 -12.187 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -20.003 -7.482 -12.191 1.00 0.00 H new ATOM 0 HG LEU A 13 -20.514 -7.529 -9.546 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -20.890 -9.858 -8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -22.284 -9.206 -9.729 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -21.158 -10.327 -10.532 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -18.605 -9.077 -9.345 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -18.785 -9.515 -11.061 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -18.332 -7.854 -10.609 1.00 0.00 H new ATOM 159 N ARG A 14 -20.973 -5.050 -10.130 1.00 0.00 N ATOM 160 CA ARG A 14 -20.324 -3.791 -9.784 1.00 0.00 C ATOM 161 C ARG A 14 -18.876 -4.023 -9.365 1.00 0.00 C ATOM 162 O ARG A 14 -18.608 -4.599 -8.311 1.00 0.00 O ATOM 163 CB ARG A 14 -21.087 -3.092 -8.656 1.00 0.00 C ATOM 164 CG ARG A 14 -22.537 -2.790 -8.997 1.00 0.00 C ATOM 165 CD ARG A 14 -22.647 -1.913 -10.234 1.00 0.00 C ATOM 166 NE ARG A 14 -24.033 -1.574 -10.543 1.00 0.00 N ATOM 167 CZ ARG A 14 -24.905 -2.436 -11.054 1.00 0.00 C ATOM 168 NH1 ARG A 14 -24.535 -3.683 -11.312 1.00 0.00 N ATOM 169 NH2 ARG A 14 -26.149 -2.052 -11.308 1.00 0.00 N ATOM 0 H ARG A 14 -21.198 -5.642 -9.331 1.00 0.00 H new ATOM 0 HA ARG A 14 -20.331 -3.153 -10.668 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -21.055 -3.719 -7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -20.579 -2.160 -8.409 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -23.075 -3.723 -9.162 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -23.014 -2.292 -8.153 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -22.075 -0.998 -10.081 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -22.202 -2.429 -11.085 1.00 0.00 H new ATOM 0 HE ARG A 14 -24.349 -0.622 -10.356 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -23.579 -3.982 -11.118 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -25.206 -4.343 -11.704 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -26.437 -1.094 -11.111 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -26.817 -2.715 -11.700 1.00 0.00 H new ATOM 183 N SER A 15 -17.944 -3.570 -10.199 1.00 0.00 N ATOM 184 CA SER A 15 -16.523 -3.732 -9.917 1.00 0.00 C ATOM 185 C SER A 15 -15.803 -2.387 -9.962 1.00 0.00 C ATOM 186 O SER A 15 -15.661 -1.782 -11.023 1.00 0.00 O ATOM 187 CB SER A 15 -15.889 -4.696 -10.922 1.00 0.00 C ATOM 188 OG SER A 15 -16.743 -4.910 -12.033 1.00 0.00 O ATOM 0 H SER A 15 -18.148 -3.088 -11.075 1.00 0.00 H new ATOM 0 HA SER A 15 -16.422 -4.145 -8.913 1.00 0.00 H new ATOM 0 HB2 SER A 15 -14.936 -4.294 -11.265 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.677 -5.647 -10.434 1.00 0.00 H new ATOM 0 HG SER A 15 -16.314 -5.528 -12.661 1.00 0.00 H new ATOM 194 N ASN A 16 -15.352 -1.926 -8.800 1.00 0.00 N ATOM 195 CA ASN A 16 -14.647 -0.653 -8.705 1.00 0.00 C ATOM 196 C ASN A 16 -13.192 -0.865 -8.300 1.00 0.00 C ATOM 197 O ASN A 16 -12.888 -1.095 -7.129 1.00 0.00 O ATOM 198 CB ASN A 16 -15.341 0.263 -7.694 1.00 0.00 C ATOM 199 CG ASN A 16 -14.799 1.679 -7.731 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.600 1.893 -7.910 1.00 0.00 O ATOM 201 ND2 ASN A 16 -15.684 2.655 -7.560 1.00 0.00 N ATOM 0 H ASN A 16 -15.462 -2.415 -7.911 1.00 0.00 H new ATOM 0 HA ASN A 16 -14.667 -0.181 -9.687 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.411 0.281 -7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -15.215 -0.145 -6.691 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.379 3.628 -7.574 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -16.668 2.431 -7.415 1.00 0.00 H new ATOM 208 N THR A 17 -12.294 -0.786 -9.278 1.00 0.00 N ATOM 209 CA THR A 17 -10.870 -0.970 -9.025 1.00 0.00 C ATOM 210 C THR A 17 -10.061 0.206 -9.558 1.00 0.00 C ATOM 211 O THR A 17 -10.581 1.053 -10.284 1.00 0.00 O ATOM 212 CB THR A 17 -10.349 -2.270 -9.666 1.00 0.00 C ATOM 213 OG1 THR A 17 -11.280 -2.739 -10.649 1.00 0.00 O ATOM 214 CG2 THR A 17 -10.133 -3.345 -8.612 1.00 0.00 C ATOM 0 H THR A 17 -12.528 -0.596 -10.252 1.00 0.00 H new ATOM 0 HA THR A 17 -10.746 -1.032 -7.944 1.00 0.00 H new ATOM 0 HB THR A 17 -9.393 -2.055 -10.144 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.941 -3.565 -11.053 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.765 -4.253 -9.089 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.402 -2.997 -7.882 1.00 0.00 H new ATOM 0 HG23 THR A 17 -11.077 -3.556 -8.109 1.00 0.00 H new ATOM 222 N GLY A 18 -8.783 0.253 -9.194 1.00 0.00 N ATOM 223 CA GLY A 18 -7.922 1.330 -9.646 1.00 0.00 C ATOM 224 C GLY A 18 -6.845 0.851 -10.599 1.00 0.00 C ATOM 225 O GLY A 18 -7.141 0.412 -11.711 1.00 0.00 O ATOM 0 H GLY A 18 -8.329 -0.436 -8.594 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.526 2.091 -10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.454 1.804 -8.783 1.00 0.00 H new ATOM 229 N LEU A 19 -5.593 0.936 -10.165 1.00 0.00 N ATOM 230 CA LEU A 19 -4.467 0.508 -10.989 1.00 0.00 C ATOM 231 C LEU A 19 -3.815 -0.744 -10.413 1.00 0.00 C ATOM 232 O LEU A 19 -3.913 -1.013 -9.214 1.00 0.00 O ATOM 233 CB LEU A 19 -3.434 1.631 -11.098 1.00 0.00 C ATOM 234 CG LEU A 19 -3.496 2.480 -12.368 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.371 3.957 -12.030 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.406 2.060 -13.343 1.00 0.00 C ATOM 0 H LEU A 19 -5.331 1.297 -9.248 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.845 0.273 -11.984 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.552 2.290 -10.238 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.439 1.191 -11.028 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.464 2.318 -12.843 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.417 4.545 -12.947 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.187 4.249 -11.370 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.419 4.137 -11.531 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.465 2.675 -14.241 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.430 2.192 -12.876 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.541 1.012 -13.611 1.00 0.00 H new ATOM 248 N LEU A 20 -3.148 -1.507 -11.272 1.00 0.00 N ATOM 249 CA LEU A 20 -2.477 -2.730 -10.848 1.00 0.00 C ATOM 250 C LEU A 20 -0.976 -2.503 -10.693 1.00 0.00 C ATOM 251 O LEU A 20 -0.394 -1.652 -11.366 1.00 0.00 O ATOM 252 CB LEU A 20 -2.732 -3.851 -11.857 1.00 0.00 C ATOM 253 CG LEU A 20 -2.398 -5.267 -11.387 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.151 -5.596 -10.107 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.723 -6.281 -12.474 1.00 0.00 C ATOM 0 H LEU A 20 -3.058 -1.300 -12.267 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.884 -3.021 -9.879 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.784 -3.823 -12.142 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.152 -3.642 -12.756 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.329 -5.317 -11.179 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.901 -6.608 -9.788 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.869 -4.889 -9.327 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.224 -5.528 -10.288 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.479 -7.283 -12.122 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.785 -6.230 -12.714 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.138 -6.058 -13.366 1.00 0.00 H new ATOM 267 N TYR A 21 -0.356 -3.270 -9.803 1.00 0.00 N ATOM 268 CA TYR A 21 1.076 -3.152 -9.558 1.00 0.00 C ATOM 269 C TYR A 21 1.735 -4.527 -9.503 1.00 0.00 C ATOM 270 O TYR A 21 1.098 -5.518 -9.144 1.00 0.00 O ATOM 271 CB TYR A 21 1.332 -2.398 -8.252 1.00 0.00 C ATOM 272 CG TYR A 21 1.472 -0.904 -8.432 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.354 -0.079 -8.455 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.723 -0.316 -8.578 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.478 1.287 -8.620 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.856 1.049 -8.743 1.00 0.00 C ATOM 277 CZ TYR A 21 1.730 1.846 -8.763 1.00 0.00 C ATOM 278 OH TYR A 21 1.858 3.207 -8.927 1.00 0.00 O ATOM 0 H TYR A 21 -0.823 -3.980 -9.239 1.00 0.00 H new ATOM 0 HA TYR A 21 1.515 -2.592 -10.384 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.513 -2.597 -7.561 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.240 -2.786 -7.790 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.628 -0.513 -8.342 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.606 -0.937 -8.562 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.401 1.914 -8.637 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.836 1.490 -8.856 1.00 0.00 H new ATOM 0 HH TYR A 21 2.806 3.438 -9.012 1.00 0.00 H new ATOM 288 N ARG A 22 3.013 -4.578 -9.860 1.00 0.00 N ATOM 289 CA ARG A 22 3.759 -5.831 -9.852 1.00 0.00 C ATOM 290 C ARG A 22 5.229 -5.586 -9.523 1.00 0.00 C ATOM 291 O ARG A 22 5.733 -4.473 -9.677 1.00 0.00 O ATOM 292 CB ARG A 22 3.638 -6.530 -11.207 1.00 0.00 C ATOM 293 CG ARG A 22 2.477 -7.508 -11.287 1.00 0.00 C ATOM 294 CD ARG A 22 1.968 -7.653 -12.713 1.00 0.00 C ATOM 295 NE ARG A 22 2.654 -8.723 -13.432 1.00 0.00 N ATOM 296 CZ ARG A 22 2.168 -9.303 -14.524 1.00 0.00 C ATOM 297 NH1 ARG A 22 1.001 -8.916 -15.021 1.00 0.00 N ATOM 298 NH2 ARG A 22 2.851 -10.270 -15.123 1.00 0.00 N ATOM 0 H ARG A 22 3.554 -3.767 -10.159 1.00 0.00 H new ATOM 0 HA ARG A 22 3.334 -6.473 -9.081 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.521 -5.776 -11.986 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.566 -7.063 -11.415 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.793 -8.481 -10.912 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.667 -7.166 -10.643 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.897 -7.855 -12.697 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.107 -6.712 -13.245 1.00 0.00 H new ATOM 0 HE ARG A 22 3.555 -9.042 -13.077 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.474 -8.171 -14.565 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.630 -9.363 -15.860 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.750 -10.569 -14.745 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.477 -10.715 -15.961 1.00 0.00 H new ATOM 312 N ILE A 23 5.911 -6.633 -9.070 1.00 0.00 N ATOM 313 CA ILE A 23 7.322 -6.532 -8.720 1.00 0.00 C ATOM 314 C ILE A 23 8.206 -7.051 -9.848 1.00 0.00 C ATOM 315 O ILE A 23 7.827 -7.967 -10.578 1.00 0.00 O ATOM 316 CB ILE A 23 7.640 -7.313 -7.432 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.227 -8.779 -7.583 1.00 0.00 C ATOM 318 CG2 ILE A 23 6.938 -6.679 -6.240 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.095 -9.736 -6.797 1.00 0.00 C ATOM 0 H ILE A 23 5.509 -7.561 -8.937 1.00 0.00 H new ATOM 0 HA ILE A 23 7.531 -5.475 -8.555 1.00 0.00 H new ATOM 0 HB ILE A 23 8.715 -7.274 -7.258 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.192 -8.891 -7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.263 -9.051 -8.638 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.173 -7.243 -5.337 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.277 -5.650 -6.123 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.861 -6.690 -6.404 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.744 -10.756 -6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.128 -9.652 -7.136 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.040 -9.490 -5.737 1.00 0.00 H new ATOM 331 N LYS A 24 9.389 -6.462 -9.984 1.00 0.00 N ATOM 332 CA LYS A 24 10.331 -6.866 -11.021 1.00 0.00 C ATOM 333 C LYS A 24 11.506 -7.632 -10.421 1.00 0.00 C ATOM 334 O LYS A 24 12.156 -7.160 -9.489 1.00 0.00 O ATOM 335 CB LYS A 24 10.844 -5.639 -11.780 1.00 0.00 C ATOM 336 CG LYS A 24 10.708 -5.757 -13.288 1.00 0.00 C ATOM 337 CD LYS A 24 12.064 -5.733 -13.973 1.00 0.00 C ATOM 338 CE LYS A 24 11.956 -5.236 -15.406 1.00 0.00 C ATOM 339 NZ LYS A 24 12.815 -6.024 -16.333 1.00 0.00 N ATOM 0 H LYS A 24 9.719 -5.702 -9.388 1.00 0.00 H new ATOM 0 HA LYS A 24 9.807 -7.523 -11.715 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.298 -4.758 -11.442 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.893 -5.479 -11.529 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.190 -6.683 -13.536 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.095 -4.938 -13.664 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.744 -5.090 -13.414 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.494 -6.734 -13.966 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.918 -5.296 -15.734 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.244 -4.186 -15.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.713 -5.654 -17.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.809 -5.947 -16.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.524 -7.022 -16.312 1.00 0.00 H new ATOM 353 N ASP A 25 11.771 -8.817 -10.961 1.00 0.00 N ATOM 354 CA ASP A 25 12.869 -9.648 -10.480 1.00 0.00 C ATOM 355 C ASP A 25 12.637 -10.069 -9.033 1.00 0.00 C ATOM 356 O ASP A 25 12.795 -9.269 -8.110 1.00 0.00 O ATOM 357 CB ASP A 25 14.196 -8.897 -10.600 1.00 0.00 C ATOM 358 CG ASP A 25 15.336 -9.800 -11.027 1.00 0.00 C ATOM 359 OD1 ASP A 25 15.271 -10.347 -12.148 1.00 0.00 O ATOM 360 OD2 ASP A 25 16.293 -9.959 -10.242 1.00 0.00 O ATOM 0 H ASP A 25 11.241 -9.223 -11.732 1.00 0.00 H new ATOM 0 HA ASP A 25 12.912 -10.545 -11.098 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.088 -8.087 -11.322 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.439 -8.439 -9.641 1.00 0.00 H new ATOM 365 N SER A 26 12.262 -11.330 -8.841 1.00 0.00 N ATOM 366 CA SER A 26 12.003 -11.856 -7.506 1.00 0.00 C ATOM 367 C SER A 26 13.181 -11.580 -6.576 1.00 0.00 C ATOM 368 O SER A 26 13.006 -11.419 -5.369 1.00 0.00 O ATOM 369 CB SER A 26 11.733 -13.360 -7.572 1.00 0.00 C ATOM 370 OG SER A 26 10.370 -13.645 -7.310 1.00 0.00 O ATOM 0 H SER A 26 12.131 -12.006 -9.593 1.00 0.00 H new ATOM 0 HA SER A 26 11.122 -11.353 -7.108 1.00 0.00 H new ATOM 0 HB2 SER A 26 12.004 -13.738 -8.558 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.362 -13.878 -6.848 1.00 0.00 H new ATOM 0 HG SER A 26 10.223 -14.613 -7.360 1.00 0.00 H new ATOM 376 N GLN A 27 14.379 -11.526 -7.149 1.00 0.00 N ATOM 377 CA GLN A 27 15.586 -11.269 -6.372 1.00 0.00 C ATOM 378 C GLN A 27 15.721 -9.785 -6.050 1.00 0.00 C ATOM 379 O GLN A 27 16.058 -8.980 -6.917 1.00 0.00 O ATOM 380 CB GLN A 27 16.821 -11.753 -7.133 1.00 0.00 C ATOM 381 CG GLN A 27 17.543 -12.905 -6.453 1.00 0.00 C ATOM 382 CD GLN A 27 18.260 -13.807 -7.438 1.00 0.00 C ATOM 383 OE1 GLN A 27 17.649 -14.347 -8.361 1.00 0.00 O ATOM 384 NE2 GLN A 27 19.563 -13.976 -7.246 1.00 0.00 N ATOM 0 H GLN A 27 14.540 -11.657 -8.148 1.00 0.00 H new ATOM 0 HA GLN A 27 15.508 -11.819 -5.434 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.522 -12.063 -8.134 1.00 0.00 H new ATOM 0 HB3 GLN A 27 17.514 -10.920 -7.251 1.00 0.00 H new ATOM 0 HG2 GLN A 27 18.264 -12.506 -5.740 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.824 -13.494 -5.884 1.00 0.00 H new ATOM 0 HE21 GLN A 27 20.029 -13.509 -6.468 1.00 0.00 H new ATOM 0 HE22 GLN A 27 20.098 -14.573 -7.877 1.00 0.00 H new ATOM 393 N ASN A 28 15.456 -9.429 -4.797 1.00 0.00 N ATOM 394 CA ASN A 28 15.547 -8.040 -4.361 1.00 0.00 C ATOM 395 C ASN A 28 16.904 -7.445 -4.724 1.00 0.00 C ATOM 396 O ASN A 28 17.948 -8.016 -4.410 1.00 0.00 O ATOM 397 CB ASN A 28 15.321 -7.942 -2.851 1.00 0.00 C ATOM 398 CG ASN A 28 14.143 -8.776 -2.387 1.00 0.00 C ATOM 399 OD1 ASN A 28 13.004 -8.310 -2.376 1.00 0.00 O ATOM 400 ND2 ASN A 28 14.413 -10.018 -2.001 1.00 0.00 N ATOM 0 H ASN A 28 15.177 -10.083 -4.066 1.00 0.00 H new ATOM 0 HA ASN A 28 14.772 -7.472 -4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 28 16.221 -8.268 -2.330 1.00 0.00 H new ATOM 0 HB3 ASN A 28 15.155 -6.900 -2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.661 -10.627 -1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.373 -10.363 -2.027 1.00 0.00 H new ATOM 407 N ALA A 29 16.881 -6.293 -5.386 1.00 0.00 N ATOM 408 CA ALA A 29 18.108 -5.618 -5.789 1.00 0.00 C ATOM 409 C ALA A 29 18.846 -5.053 -4.580 1.00 0.00 C ATOM 410 O ALA A 29 20.076 -5.008 -4.556 1.00 0.00 O ATOM 411 CB ALA A 29 17.799 -4.511 -6.786 1.00 0.00 C ATOM 0 H ALA A 29 16.025 -5.808 -5.655 1.00 0.00 H new ATOM 0 HA ALA A 29 18.757 -6.352 -6.268 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.725 -4.016 -7.078 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.322 -4.938 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 29 17.128 -3.785 -6.327 1.00 0.00 H new ATOM 417 N GLY A 30 18.087 -4.622 -3.577 1.00 0.00 N ATOM 418 CA GLY A 30 18.687 -4.065 -2.379 1.00 0.00 C ATOM 419 C GLY A 30 19.177 -2.645 -2.582 1.00 0.00 C ATOM 420 O GLY A 30 20.236 -2.267 -2.080 1.00 0.00 O ATOM 0 H GLY A 30 17.067 -4.649 -3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 30 17.957 -4.082 -1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.522 -4.693 -2.069 1.00 0.00 H new ATOM 424 N LYS A 31 18.406 -1.855 -3.322 1.00 0.00 N ATOM 425 CA LYS A 31 18.767 -0.469 -3.592 1.00 0.00 C ATOM 426 C LYS A 31 17.744 0.487 -2.985 1.00 0.00 C ATOM 427 O LYS A 31 17.551 1.598 -3.478 1.00 0.00 O ATOM 428 CB LYS A 31 18.870 -0.231 -5.100 1.00 0.00 C ATOM 429 CG LYS A 31 20.123 -0.821 -5.724 1.00 0.00 C ATOM 430 CD LYS A 31 19.839 -1.408 -7.097 1.00 0.00 C ATOM 431 CE LYS A 31 21.026 -1.239 -8.032 1.00 0.00 C ATOM 432 NZ LYS A 31 21.960 -2.397 -7.958 1.00 0.00 N ATOM 0 H LYS A 31 17.527 -2.152 -3.745 1.00 0.00 H new ATOM 0 HA LYS A 31 19.737 -0.276 -3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 31 17.995 -0.660 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 31 18.849 0.842 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.887 -0.048 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 31 20.525 -1.596 -5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 31 19.600 -2.467 -6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 31 18.963 -0.922 -7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 31 20.669 -1.125 -9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 31 21.561 -0.324 -7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 22.756 -2.243 -8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 22.321 -2.490 -6.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 21.456 -3.267 -8.225 1.00 0.00 H new ATOM 446 N MET A 32 17.094 0.048 -1.912 1.00 0.00 N ATOM 447 CA MET A 32 16.093 0.867 -1.237 1.00 0.00 C ATOM 448 C MET A 32 16.751 2.022 -0.490 1.00 0.00 C ATOM 449 O MET A 32 17.969 2.046 -0.310 1.00 0.00 O ATOM 450 CB MET A 32 15.277 0.013 -0.264 1.00 0.00 C ATOM 451 CG MET A 32 14.347 -0.972 -0.953 1.00 0.00 C ATOM 452 SD MET A 32 13.547 -2.098 0.205 1.00 0.00 S ATOM 453 CE MET A 32 11.835 -1.601 0.034 1.00 0.00 C ATOM 0 H MET A 32 17.242 -0.869 -1.491 1.00 0.00 H new ATOM 0 HA MET A 32 15.426 1.280 -1.994 1.00 0.00 H new ATOM 0 HB2 MET A 32 15.959 -0.537 0.384 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.688 0.669 0.377 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.584 -0.421 -1.504 1.00 0.00 H new ATOM 0 HG3 MET A 32 14.913 -1.550 -1.684 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.515 -1.081 0.937 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.733 -0.935 -0.823 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.213 -2.484 -0.116 1.00 0.00 H new ATOM 463 N LYS A 33 15.938 2.980 -0.056 1.00 0.00 N ATOM 464 CA LYS A 33 16.440 4.138 0.673 1.00 0.00 C ATOM 465 C LYS A 33 15.289 5.003 1.178 1.00 0.00 C ATOM 466 O LYS A 33 14.300 5.209 0.477 1.00 0.00 O ATOM 467 CB LYS A 33 17.362 4.970 -0.222 1.00 0.00 C ATOM 468 CG LYS A 33 18.102 6.068 0.521 1.00 0.00 C ATOM 469 CD LYS A 33 19.598 5.802 0.565 1.00 0.00 C ATOM 470 CE LYS A 33 20.355 6.974 1.168 1.00 0.00 C ATOM 471 NZ LYS A 33 20.771 6.703 2.572 1.00 0.00 N ATOM 0 H LYS A 33 14.928 2.977 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 33 17.006 3.778 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.089 4.309 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.771 5.418 -1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.916 7.026 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.715 6.145 1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 33 19.792 4.903 1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.964 5.611 -0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.236 7.187 0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.727 7.864 1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.284 7.526 2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.929 6.525 3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 21.391 5.868 2.595 1.00 0.00 H new ATOM 485 N GLY A 34 15.427 5.508 2.401 1.00 0.00 N ATOM 486 CA GLY A 34 14.392 6.346 2.978 1.00 0.00 C ATOM 487 C GLY A 34 13.122 5.575 3.276 1.00 0.00 C ATOM 488 O GLY A 34 12.501 5.015 2.373 1.00 0.00 O ATOM 0 H GLY A 34 16.236 5.352 3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.764 6.796 3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.165 7.162 2.292 1.00 0.00 H new ATOM 492 N SER A 35 12.734 5.545 4.547 1.00 0.00 N ATOM 493 CA SER A 35 11.532 4.833 4.963 1.00 0.00 C ATOM 494 C SER A 35 11.547 3.396 4.449 1.00 0.00 C ATOM 495 O SER A 35 10.512 2.854 4.060 1.00 0.00 O ATOM 496 CB SER A 35 10.283 5.555 4.455 1.00 0.00 C ATOM 497 OG SER A 35 10.014 5.220 3.105 1.00 0.00 O ATOM 0 H SER A 35 13.235 6.006 5.307 1.00 0.00 H new ATOM 0 HA SER A 35 11.512 4.811 6.053 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.428 5.289 5.076 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.420 6.633 4.545 1.00 0.00 H new ATOM 0 HG SER A 35 10.859 5.125 2.617 1.00 0.00 H new ATOM 503 N ASP A 36 12.727 2.786 4.451 1.00 0.00 N ATOM 504 CA ASP A 36 12.878 1.412 3.986 1.00 0.00 C ATOM 505 C ASP A 36 11.964 0.471 4.764 1.00 0.00 C ATOM 506 O ASP A 36 11.498 -0.537 4.235 1.00 0.00 O ATOM 507 CB ASP A 36 14.333 0.961 4.125 1.00 0.00 C ATOM 508 CG ASP A 36 14.658 0.481 5.526 1.00 0.00 C ATOM 509 OD1 ASP A 36 14.938 1.333 6.394 1.00 0.00 O ATOM 510 OD2 ASP A 36 14.634 -0.747 5.753 1.00 0.00 O ATOM 0 H ASP A 36 13.593 3.221 4.769 1.00 0.00 H new ATOM 0 HA ASP A 36 12.594 1.377 2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.531 0.159 3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.993 1.788 3.865 1.00 0.00 H new ATOM 515 N ASN A 37 11.712 0.808 6.025 1.00 0.00 N ATOM 516 CA ASN A 37 10.855 -0.008 6.878 1.00 0.00 C ATOM 517 C ASN A 37 9.397 0.097 6.443 1.00 0.00 C ATOM 518 O ASN A 37 8.609 -0.824 6.654 1.00 0.00 O ATOM 519 CB ASN A 37 10.995 0.423 8.339 1.00 0.00 C ATOM 520 CG ASN A 37 12.024 -0.401 9.089 1.00 0.00 C ATOM 521 OD1 ASN A 37 12.864 -1.067 8.483 1.00 0.00 O ATOM 522 ND2 ASN A 37 11.963 -0.360 10.415 1.00 0.00 N ATOM 0 H ASN A 37 12.089 1.640 6.479 1.00 0.00 H new ATOM 0 HA ASN A 37 11.171 -1.047 6.781 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.277 1.475 8.379 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.029 0.333 8.836 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.629 -0.894 10.973 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.250 0.206 10.875 1.00 0.00 H new ATOM 529 N GLN A 38 9.046 1.225 5.834 1.00 0.00 N ATOM 530 CA GLN A 38 7.683 1.451 5.369 1.00 0.00 C ATOM 531 C GLN A 38 7.491 0.904 3.958 1.00 0.00 C ATOM 532 O GLN A 38 6.379 0.554 3.565 1.00 0.00 O ATOM 533 CB GLN A 38 7.351 2.943 5.400 1.00 0.00 C ATOM 534 CG GLN A 38 6.154 3.283 6.274 1.00 0.00 C ATOM 535 CD GLN A 38 6.557 3.873 7.611 1.00 0.00 C ATOM 536 OE1 GLN A 38 7.360 4.805 7.675 1.00 0.00 O ATOM 537 NE2 GLN A 38 6.000 3.334 8.689 1.00 0.00 N ATOM 0 H GLN A 38 9.687 1.997 5.651 1.00 0.00 H new ATOM 0 HA GLN A 38 7.006 0.922 6.039 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.221 3.493 5.760 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.156 3.284 4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.513 3.990 5.747 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.564 2.382 6.442 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.339 2.563 8.590 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.233 3.691 9.616 1.00 0.00 H new ATOM 546 N GLU A 39 8.583 0.835 3.203 1.00 0.00 N ATOM 547 CA GLU A 39 8.533 0.331 1.835 1.00 0.00 C ATOM 548 C GLU A 39 8.686 -1.187 1.808 1.00 0.00 C ATOM 549 O GLU A 39 8.017 -1.876 1.038 1.00 0.00 O ATOM 550 CB GLU A 39 9.631 0.981 0.989 1.00 0.00 C ATOM 551 CG GLU A 39 9.203 2.282 0.332 1.00 0.00 C ATOM 552 CD GLU A 39 10.374 3.195 0.027 1.00 0.00 C ATOM 553 OE1 GLU A 39 11.134 2.890 -0.915 1.00 0.00 O ATOM 554 OE2 GLU A 39 10.532 4.214 0.731 1.00 0.00 O ATOM 0 H GLU A 39 9.511 1.121 3.514 1.00 0.00 H new ATOM 0 HA GLU A 39 7.560 0.588 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.499 1.171 1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.946 0.280 0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.670 2.060 -0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.503 2.802 0.986 1.00 0.00 H new ATOM 561 N LYS A 40 9.572 -1.701 2.653 1.00 0.00 N ATOM 562 CA LYS A 40 9.815 -3.137 2.728 1.00 0.00 C ATOM 563 C LYS A 40 8.509 -3.899 2.931 1.00 0.00 C ATOM 564 O LYS A 40 8.351 -5.020 2.446 1.00 0.00 O ATOM 565 CB LYS A 40 10.784 -3.452 3.870 1.00 0.00 C ATOM 566 CG LYS A 40 10.171 -3.290 5.250 1.00 0.00 C ATOM 567 CD LYS A 40 11.147 -3.691 6.344 1.00 0.00 C ATOM 568 CE LYS A 40 11.160 -5.197 6.555 1.00 0.00 C ATOM 569 NZ LYS A 40 12.159 -5.605 7.581 1.00 0.00 N ATOM 0 H LYS A 40 10.135 -1.144 3.296 1.00 0.00 H new ATOM 0 HA LYS A 40 10.259 -3.455 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.143 -4.475 3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.653 -2.799 3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.867 -2.253 5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.270 -3.900 5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.149 -3.351 6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.875 -3.194 7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.168 -5.529 6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.385 -5.694 5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.137 -6.638 7.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.109 -5.311 7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.930 -5.151 8.488 1.00 0.00 H new ATOM 583 N LEU A 41 7.575 -3.284 3.648 1.00 0.00 N ATOM 584 CA LEU A 41 6.282 -3.904 3.914 1.00 0.00 C ATOM 585 C LEU A 41 5.431 -3.952 2.649 1.00 0.00 C ATOM 586 O LEU A 41 4.742 -4.938 2.388 1.00 0.00 O ATOM 587 CB LEU A 41 5.542 -3.137 5.011 1.00 0.00 C ATOM 588 CG LEU A 41 4.136 -3.635 5.347 1.00 0.00 C ATOM 589 CD1 LEU A 41 4.192 -5.040 5.928 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.450 -2.683 6.315 1.00 0.00 C ATOM 0 H LEU A 41 7.689 -2.356 4.056 1.00 0.00 H new ATOM 0 HA LEU A 41 6.459 -4.926 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.144 -3.170 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.473 -2.091 4.712 1.00 0.00 H new ATOM 0 HG LEU A 41 3.553 -3.667 4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.182 -5.378 6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.642 -5.716 5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.792 -5.034 6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.451 -3.053 6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.031 -2.618 7.235 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.376 -1.694 5.862 1.00 0.00 H new ATOM 602 N VAL A 42 5.486 -2.880 1.864 1.00 0.00 N ATOM 603 CA VAL A 42 4.723 -2.801 0.624 1.00 0.00 C ATOM 604 C VAL A 42 5.285 -3.749 -0.429 1.00 0.00 C ATOM 605 O VAL A 42 4.542 -4.497 -1.066 1.00 0.00 O ATOM 606 CB VAL A 42 4.719 -1.368 0.058 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.802 -1.274 -1.151 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.303 -0.373 1.131 1.00 0.00 C ATOM 0 H VAL A 42 6.051 -2.055 2.065 1.00 0.00 H new ATOM 0 HA VAL A 42 3.700 -3.093 0.863 1.00 0.00 H new ATOM 0 HB VAL A 42 5.731 -1.120 -0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.812 -0.255 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.149 -1.959 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.786 -1.541 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.306 0.634 0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.301 -0.617 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.004 -0.422 1.964 1.00 0.00 H new ATOM 618 N TYR A 43 6.601 -3.715 -0.606 1.00 0.00 N ATOM 619 CA TYR A 43 7.263 -4.570 -1.583 1.00 0.00 C ATOM 620 C TYR A 43 6.926 -6.038 -1.340 1.00 0.00 C ATOM 621 O TYR A 43 6.819 -6.825 -2.279 1.00 0.00 O ATOM 622 CB TYR A 43 8.778 -4.368 -1.526 1.00 0.00 C ATOM 623 CG TYR A 43 9.532 -5.132 -2.591 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.829 -6.479 -2.428 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.946 -4.506 -3.760 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.519 -7.181 -3.398 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.635 -5.201 -4.737 1.00 0.00 C ATOM 628 CZ TYR A 43 10.919 -6.538 -4.550 1.00 0.00 C ATOM 629 OH TYR A 43 11.604 -7.233 -5.519 1.00 0.00 O ATOM 0 H TYR A 43 7.230 -3.104 -0.085 1.00 0.00 H new ATOM 0 HA TYR A 43 6.903 -4.292 -2.573 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.998 -3.305 -1.628 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.140 -4.676 -0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.515 -6.986 -1.528 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.726 -3.459 -3.908 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.744 -8.228 -3.254 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.949 -4.700 -5.641 1.00 0.00 H new ATOM 0 HH TYR A 43 11.811 -6.634 -6.267 1.00 0.00 H new ATOM 639 N GLN A 44 6.759 -6.398 -0.071 1.00 0.00 N ATOM 640 CA GLN A 44 6.434 -7.770 0.297 1.00 0.00 C ATOM 641 C GLN A 44 5.041 -8.150 -0.194 1.00 0.00 C ATOM 642 O GLN A 44 4.836 -9.242 -0.725 1.00 0.00 O ATOM 643 CB GLN A 44 6.518 -7.948 1.814 1.00 0.00 C ATOM 644 CG GLN A 44 7.936 -8.138 2.327 1.00 0.00 C ATOM 645 CD GLN A 44 8.595 -9.384 1.771 1.00 0.00 C ATOM 646 OE1 GLN A 44 9.724 -9.338 1.282 1.00 0.00 O ATOM 647 NE2 GLN A 44 7.892 -10.509 1.842 1.00 0.00 N ATOM 0 H GLN A 44 6.844 -5.758 0.719 1.00 0.00 H new ATOM 0 HA GLN A 44 7.160 -8.428 -0.180 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.079 -7.076 2.299 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.917 -8.810 2.104 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.534 -7.266 2.062 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.920 -8.195 3.415 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.960 -10.502 2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.285 -11.379 1.483 1.00 0.00 H new ATOM 656 N ILE A 45 4.087 -7.243 -0.014 1.00 0.00 N ATOM 657 CA ILE A 45 2.714 -7.483 -0.440 1.00 0.00 C ATOM 658 C ILE A 45 2.627 -7.628 -1.956 1.00 0.00 C ATOM 659 O ILE A 45 2.023 -8.573 -2.465 1.00 0.00 O ATOM 660 CB ILE A 45 1.778 -6.347 0.010 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.831 -6.185 1.531 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.353 -6.620 -0.449 1.00 0.00 C ATOM 663 CD1 ILE A 45 1.220 -4.892 2.023 1.00 0.00 C ATOM 0 H ILE A 45 4.240 -6.335 0.424 1.00 0.00 H new ATOM 0 HA ILE A 45 2.395 -8.413 0.031 1.00 0.00 H new ATOM 0 HB ILE A 45 2.115 -5.417 -0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.311 -7.023 1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.870 -6.234 1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.296 -5.808 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.328 -6.690 -1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.005 -7.558 -0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.293 -4.845 3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.754 -4.048 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.172 -4.849 1.728 1.00 0.00 H new ATOM 675 N ILE A 46 3.234 -6.688 -2.671 1.00 0.00 N ATOM 676 CA ILE A 46 3.227 -6.713 -4.128 1.00 0.00 C ATOM 677 C ILE A 46 3.869 -7.990 -4.659 1.00 0.00 C ATOM 678 O ILE A 46 3.447 -8.529 -5.682 1.00 0.00 O ATOM 679 CB ILE A 46 3.968 -5.497 -4.716 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.347 -4.196 -4.201 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.935 -5.541 -6.236 1.00 0.00 C ATOM 682 CD1 ILE A 46 4.181 -2.970 -4.498 1.00 0.00 C ATOM 0 H ILE A 46 3.737 -5.899 -2.265 1.00 0.00 H new ATOM 0 HA ILE A 46 2.183 -6.677 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 46 5.009 -5.533 -4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.361 -4.072 -4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.201 -4.274 -3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.463 -4.675 -6.637 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.419 -6.454 -6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.900 -5.525 -6.578 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.680 -2.085 -4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.159 -3.073 -4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.306 -2.867 -5.576 1.00 0.00 H new ATOM 694 N GLU A 47 4.890 -8.470 -3.956 1.00 0.00 N ATOM 695 CA GLU A 47 5.589 -9.685 -4.357 1.00 0.00 C ATOM 696 C GLU A 47 4.657 -10.892 -4.302 1.00 0.00 C ATOM 697 O GLU A 47 4.603 -11.691 -5.237 1.00 0.00 O ATOM 698 CB GLU A 47 6.802 -9.923 -3.456 1.00 0.00 C ATOM 699 CG GLU A 47 7.565 -11.195 -3.785 1.00 0.00 C ATOM 700 CD GLU A 47 7.722 -12.108 -2.585 1.00 0.00 C ATOM 701 OE1 GLU A 47 6.698 -12.438 -1.951 1.00 0.00 O ATOM 702 OE2 GLU A 47 8.870 -12.494 -2.280 1.00 0.00 O ATOM 0 H GLU A 47 5.251 -8.036 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 47 5.928 -9.556 -5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.478 -9.072 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.470 -9.966 -2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.045 -11.731 -4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.551 -10.934 -4.169 1.00 0.00 H new ATOM 709 N ASP A 48 3.924 -11.017 -3.201 1.00 0.00 N ATOM 710 CA ASP A 48 2.994 -12.125 -3.023 1.00 0.00 C ATOM 711 C ASP A 48 2.000 -12.191 -4.179 1.00 0.00 C ATOM 712 O ASP A 48 1.497 -13.262 -4.518 1.00 0.00 O ATOM 713 CB ASP A 48 2.245 -11.983 -1.698 1.00 0.00 C ATOM 714 CG ASP A 48 2.053 -13.313 -0.995 1.00 0.00 C ATOM 715 OD1 ASP A 48 3.011 -13.785 -0.348 1.00 0.00 O ATOM 716 OD2 ASP A 48 0.946 -13.882 -1.094 1.00 0.00 O ATOM 0 H ASP A 48 3.956 -10.364 -2.418 1.00 0.00 H new ATOM 0 HA ASP A 48 3.569 -13.051 -3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.795 -11.306 -1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.271 -11.529 -1.881 1.00 0.00 H new ATOM 721 N ALA A 49 1.721 -11.038 -4.779 1.00 0.00 N ATOM 722 CA ALA A 49 0.788 -10.965 -5.897 1.00 0.00 C ATOM 723 C ALA A 49 1.348 -11.672 -7.126 1.00 0.00 C ATOM 724 O ALA A 49 0.601 -12.236 -7.924 1.00 0.00 O ATOM 725 CB ALA A 49 0.466 -9.513 -6.220 1.00 0.00 C ATOM 0 H ALA A 49 2.128 -10.142 -4.510 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.131 -11.474 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.232 -9.472 -7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.016 -9.038 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.383 -8.988 -6.487 1.00 0.00 H new ATOM 731 N GLY A 50 2.669 -11.635 -7.274 1.00 0.00 N ATOM 732 CA GLY A 50 3.306 -12.276 -8.410 1.00 0.00 C ATOM 733 C GLY A 50 2.781 -11.761 -9.735 1.00 0.00 C ATOM 734 O GLY A 50 2.599 -10.557 -9.913 1.00 0.00 O ATOM 0 H GLY A 50 3.309 -11.173 -6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.382 -12.111 -8.360 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.146 -13.353 -8.353 1.00 0.00 H new ATOM 738 N ASN A 51 2.539 -12.675 -10.669 1.00 0.00 N ATOM 739 CA ASN A 51 2.033 -12.307 -11.987 1.00 0.00 C ATOM 740 C ASN A 51 0.637 -11.701 -11.884 1.00 0.00 C ATOM 741 O ASN A 51 0.248 -10.866 -12.700 1.00 0.00 O ATOM 742 CB ASN A 51 2.005 -13.530 -12.905 1.00 0.00 C ATOM 743 CG ASN A 51 0.769 -14.383 -12.694 1.00 0.00 C ATOM 744 OD1 ASN A 51 -0.211 -14.268 -13.430 1.00 0.00 O ATOM 745 ND2 ASN A 51 0.810 -15.244 -11.684 1.00 0.00 N ATOM 0 H ASN A 51 2.685 -13.676 -10.538 1.00 0.00 H new ATOM 0 HA ASN A 51 2.703 -11.559 -12.411 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.044 -13.202 -13.944 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.895 -14.134 -12.728 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.008 -15.844 -11.493 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.644 -15.305 -11.100 1.00 0.00 H new ATOM 752 N LYS A 52 -0.114 -12.128 -10.874 1.00 0.00 N ATOM 753 CA LYS A 52 -1.467 -11.628 -10.661 1.00 0.00 C ATOM 754 C LYS A 52 -1.457 -10.126 -10.398 1.00 0.00 C ATOM 755 O LYS A 52 -2.362 -9.406 -10.818 1.00 0.00 O ATOM 756 CB LYS A 52 -2.124 -12.358 -9.487 1.00 0.00 C ATOM 757 CG LYS A 52 -2.050 -13.871 -9.593 1.00 0.00 C ATOM 758 CD LYS A 52 -3.201 -14.538 -8.859 1.00 0.00 C ATOM 759 CE LYS A 52 -2.823 -14.885 -7.427 1.00 0.00 C ATOM 760 NZ LYS A 52 -3.676 -15.975 -6.877 1.00 0.00 N ATOM 0 H LYS A 52 0.192 -12.820 -10.190 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.044 -11.816 -11.567 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.644 -12.043 -8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.170 -12.057 -9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.068 -14.164 -10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.103 -14.220 -9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.066 -13.875 -8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.495 -15.444 -9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.777 -15.189 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.919 -13.998 -6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.387 -16.182 -5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.672 -15.675 -6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.565 -16.830 -7.459 1.00 0.00 H new ATOM 774 N GLY A 53 -0.426 -9.658 -9.701 1.00 0.00 N ATOM 775 CA GLY A 53 -0.317 -8.244 -9.396 1.00 0.00 C ATOM 776 C GLY A 53 -1.286 -7.808 -8.315 1.00 0.00 C ATOM 777 O GLY A 53 -2.311 -8.453 -8.095 1.00 0.00 O ATOM 0 H GLY A 53 0.336 -10.234 -9.342 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.702 -8.021 -9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.502 -7.665 -10.301 1.00 0.00 H new ATOM 781 N ILE A 54 -0.961 -6.712 -7.638 1.00 0.00 N ATOM 782 CA ILE A 54 -1.810 -6.191 -6.574 1.00 0.00 C ATOM 783 C ILE A 54 -2.295 -4.782 -6.897 1.00 0.00 C ATOM 784 O ILE A 54 -1.524 -3.939 -7.353 1.00 0.00 O ATOM 785 CB ILE A 54 -1.071 -6.170 -5.223 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.045 -5.844 -4.089 1.00 0.00 C ATOM 787 CG2 ILE A 54 0.067 -5.161 -5.258 1.00 0.00 C ATOM 788 CD1 ILE A 54 -1.980 -6.821 -2.936 1.00 0.00 C ATOM 0 H ILE A 54 -0.115 -6.167 -7.808 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.668 -6.860 -6.500 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.649 -7.158 -5.041 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.834 -4.841 -3.717 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.060 -5.830 -4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.580 -5.158 -4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.771 -5.434 -6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.334 -4.167 -5.459 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.697 -6.528 -2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.220 -7.822 -3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.975 -6.818 -2.513 1.00 0.00 H new ATOM 800 N TRP A 55 -3.578 -4.535 -6.657 1.00 0.00 N ATOM 801 CA TRP A 55 -4.166 -3.227 -6.921 1.00 0.00 C ATOM 802 C TRP A 55 -3.806 -2.235 -5.820 1.00 0.00 C ATOM 803 O TRP A 55 -3.600 -2.620 -4.669 1.00 0.00 O ATOM 804 CB TRP A 55 -5.686 -3.343 -7.042 1.00 0.00 C ATOM 805 CG TRP A 55 -6.126 -4.296 -8.112 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.186 -5.658 -8.023 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.564 -3.959 -9.433 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.636 -6.187 -9.208 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.876 -5.166 -10.089 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.726 -2.755 -10.124 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.337 -5.201 -11.402 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -7.184 -2.792 -11.427 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.486 -4.008 -12.055 1.00 0.00 C ATOM 0 H TRP A 55 -4.230 -5.223 -6.280 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.760 -2.858 -7.863 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.096 -3.668 -6.086 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.103 -2.358 -7.249 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.919 -6.234 -7.149 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.770 -7.180 -9.401 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.497 -1.813 -9.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.569 -6.137 -11.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.312 -1.868 -11.971 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.843 -4.003 -13.074 1.00 0.00 H new ATOM 824 N SER A 56 -3.732 -0.958 -6.181 1.00 0.00 N ATOM 825 CA SER A 56 -3.393 0.088 -5.223 1.00 0.00 C ATOM 826 C SER A 56 -4.341 0.060 -4.029 1.00 0.00 C ATOM 827 O SER A 56 -3.984 0.480 -2.928 1.00 0.00 O ATOM 828 CB SER A 56 -3.443 1.461 -5.896 1.00 0.00 C ATOM 829 OG SER A 56 -3.710 2.483 -4.952 1.00 0.00 O ATOM 0 H SER A 56 -3.902 -0.623 -7.129 1.00 0.00 H new ATOM 0 HA SER A 56 -2.380 -0.097 -4.865 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.494 1.660 -6.393 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.214 1.464 -6.667 1.00 0.00 H new ATOM 0 HG SER A 56 -3.735 3.350 -5.407 1.00 0.00 H new ATOM 835 N ARG A 57 -5.552 -0.439 -4.255 1.00 0.00 N ATOM 836 CA ARG A 57 -6.554 -0.522 -3.199 1.00 0.00 C ATOM 837 C ARG A 57 -6.326 -1.754 -2.328 1.00 0.00 C ATOM 838 O ARG A 57 -6.701 -1.776 -1.156 1.00 0.00 O ATOM 839 CB ARG A 57 -7.959 -0.564 -3.802 1.00 0.00 C ATOM 840 CG ARG A 57 -8.985 0.232 -3.012 1.00 0.00 C ATOM 841 CD ARG A 57 -10.107 0.737 -3.905 1.00 0.00 C ATOM 842 NE ARG A 57 -11.055 1.574 -3.174 1.00 0.00 N ATOM 843 CZ ARG A 57 -12.186 2.032 -3.697 1.00 0.00 C ATOM 844 NH1 ARG A 57 -12.509 1.737 -4.949 1.00 0.00 N ATOM 845 NH2 ARG A 57 -12.998 2.788 -2.968 1.00 0.00 N ATOM 0 H ARG A 57 -5.863 -0.792 -5.160 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.460 0.366 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.919 -0.179 -4.821 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.287 -1.602 -3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.401 -0.392 -2.221 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.496 1.077 -2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.683 1.307 -4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.634 -0.112 -4.340 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.836 1.820 -2.209 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.888 1.157 -5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.379 2.090 -5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.753 3.018 -2.005 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.867 3.139 -3.371 1.00 0.00 H new ATOM 859 N ASP A 58 -5.708 -2.776 -2.909 1.00 0.00 N ATOM 860 CA ASP A 58 -5.429 -4.012 -2.187 1.00 0.00 C ATOM 861 C ASP A 58 -4.217 -3.847 -1.276 1.00 0.00 C ATOM 862 O ASP A 58 -4.320 -3.982 -0.057 1.00 0.00 O ATOM 863 CB ASP A 58 -5.192 -5.160 -3.169 1.00 0.00 C ATOM 864 CG ASP A 58 -6.474 -5.884 -3.533 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.318 -5.283 -4.229 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.631 -7.053 -3.123 1.00 0.00 O ATOM 0 H ASP A 58 -5.390 -2.773 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.296 -4.246 -1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.729 -4.770 -4.075 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.489 -5.869 -2.732 1.00 0.00 H new ATOM 871 N VAL A 59 -3.067 -3.554 -1.877 1.00 0.00 N ATOM 872 CA VAL A 59 -1.835 -3.371 -1.120 1.00 0.00 C ATOM 873 C VAL A 59 -2.030 -2.371 0.014 1.00 0.00 C ATOM 874 O VAL A 59 -1.403 -2.482 1.068 1.00 0.00 O ATOM 875 CB VAL A 59 -0.687 -2.885 -2.026 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.083 -1.608 -2.751 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.581 -2.675 -1.212 1.00 0.00 C ATOM 0 H VAL A 59 -2.964 -3.439 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.573 -4.343 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.488 -3.652 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.260 -1.280 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.963 -1.797 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.310 -0.831 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.381 -2.332 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.398 -1.927 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.873 -3.615 -0.744 1.00 0.00 H new ATOM 887 N ARG A 60 -2.903 -1.394 -0.209 1.00 0.00 N ATOM 888 CA ARG A 60 -3.181 -0.374 0.795 1.00 0.00 C ATOM 889 C ARG A 60 -3.942 -0.966 1.977 1.00 0.00 C ATOM 890 O ARG A 60 -3.687 -0.618 3.130 1.00 0.00 O ATOM 891 CB ARG A 60 -3.985 0.772 0.178 1.00 0.00 C ATOM 892 CG ARG A 60 -4.198 1.944 1.123 1.00 0.00 C ATOM 893 CD ARG A 60 -5.314 2.855 0.637 1.00 0.00 C ATOM 894 NE ARG A 60 -5.124 3.261 -0.753 1.00 0.00 N ATOM 895 CZ ARG A 60 -5.921 4.115 -1.385 1.00 0.00 C ATOM 896 NH1 ARG A 60 -6.957 4.650 -0.755 1.00 0.00 N ATOM 897 NH2 ARG A 60 -5.682 4.436 -2.650 1.00 0.00 N ATOM 0 H ARG A 60 -3.430 -1.287 -1.076 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.228 0.013 1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.471 1.126 -0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.956 0.393 -0.142 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.439 1.571 2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.273 2.514 1.211 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.270 2.342 0.737 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.360 3.741 1.270 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.336 2.867 -1.267 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.144 4.406 0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.567 5.306 -1.243 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.885 4.027 -3.138 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.295 5.092 -3.134 1.00 0.00 H new ATOM 911 N TYR A 61 -4.877 -1.863 1.682 1.00 0.00 N ATOM 912 CA TYR A 61 -5.678 -2.501 2.720 1.00 0.00 C ATOM 913 C TYR A 61 -4.833 -3.471 3.540 1.00 0.00 C ATOM 914 O TYR A 61 -4.869 -3.458 4.770 1.00 0.00 O ATOM 915 CB TYR A 61 -6.863 -3.241 2.096 1.00 0.00 C ATOM 916 CG TYR A 61 -8.147 -3.097 2.881 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.756 -1.858 3.034 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.752 -4.201 3.469 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.929 -1.722 3.750 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.926 -4.075 4.186 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.510 -2.833 4.324 1.00 0.00 C ATOM 922 OH TYR A 61 -11.680 -2.702 5.038 1.00 0.00 O ATOM 0 H TYR A 61 -5.099 -2.164 0.733 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.053 -1.723 3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.022 -2.868 1.084 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.616 -4.299 2.011 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.304 -0.986 2.585 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.296 -5.175 3.364 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.389 -0.751 3.860 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.384 -4.944 4.636 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.957 -3.579 5.375 1.00 0.00 H new ATOM 932 N LYS A 62 -4.072 -4.313 2.849 1.00 0.00 N ATOM 933 CA LYS A 62 -3.215 -5.290 3.510 1.00 0.00 C ATOM 934 C LYS A 62 -2.098 -4.598 4.284 1.00 0.00 C ATOM 935 O LYS A 62 -1.581 -5.138 5.262 1.00 0.00 O ATOM 936 CB LYS A 62 -2.618 -6.254 2.482 1.00 0.00 C ATOM 937 CG LYS A 62 -3.652 -7.128 1.794 1.00 0.00 C ATOM 938 CD LYS A 62 -3.032 -8.406 1.256 1.00 0.00 C ATOM 939 CE LYS A 62 -4.079 -9.491 1.055 1.00 0.00 C ATOM 940 NZ LYS A 62 -4.755 -9.372 -0.267 1.00 0.00 N ATOM 0 H LYS A 62 -4.031 -4.338 1.830 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.826 -5.854 4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.080 -5.680 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.887 -6.893 2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.446 -7.376 2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.112 -6.574 0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.534 -8.199 0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.267 -8.760 1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.607 -10.470 1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.822 -9.430 1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.461 -10.129 -0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.227 -8.448 -0.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.049 -9.456 -1.026 1.00 0.00 H new ATOM 954 N SER A 63 -1.731 -3.400 3.841 1.00 0.00 N ATOM 955 CA SER A 63 -0.673 -2.635 4.491 1.00 0.00 C ATOM 956 C SER A 63 -1.240 -1.766 5.609 1.00 0.00 C ATOM 957 O SER A 63 -0.524 -1.376 6.530 1.00 0.00 O ATOM 958 CB SER A 63 0.055 -1.761 3.468 1.00 0.00 C ATOM 959 OG SER A 63 1.248 -1.225 4.013 1.00 0.00 O ATOM 0 H SER A 63 -2.151 -2.938 3.034 1.00 0.00 H new ATOM 0 HA SER A 63 0.036 -3.339 4.926 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.289 -2.351 2.582 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.599 -0.950 3.147 1.00 0.00 H new ATOM 0 HG SER A 63 1.774 -0.806 3.300 1.00 0.00 H new ATOM 965 N ASN A 64 -2.531 -1.465 5.519 1.00 0.00 N ATOM 966 CA ASN A 64 -3.196 -0.641 6.522 1.00 0.00 C ATOM 967 C ASN A 64 -2.604 0.765 6.549 1.00 0.00 C ATOM 968 O ASN A 64 -2.617 1.436 7.582 1.00 0.00 O ATOM 969 CB ASN A 64 -3.073 -1.285 7.904 1.00 0.00 C ATOM 970 CG ASN A 64 -3.199 -2.795 7.852 1.00 0.00 C ATOM 971 OD1 ASN A 64 -4.141 -3.331 7.267 1.00 0.00 O ATOM 972 ND2 ASN A 64 -2.248 -3.490 8.465 1.00 0.00 N ATOM 0 H ASN A 64 -3.138 -1.779 4.762 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.250 -0.567 6.256 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.111 -1.018 8.342 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.844 -0.881 8.560 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.280 -4.509 8.463 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.486 -3.004 8.938 1.00 0.00 H new ATOM 979 N LEU A 65 -2.087 1.206 5.408 1.00 0.00 N ATOM 980 CA LEU A 65 -1.491 2.533 5.300 1.00 0.00 C ATOM 981 C LEU A 65 -2.388 3.469 4.497 1.00 0.00 C ATOM 982 O LEU A 65 -3.039 3.068 3.531 1.00 0.00 O ATOM 983 CB LEU A 65 -0.112 2.442 4.644 1.00 0.00 C ATOM 984 CG LEU A 65 0.916 1.566 5.361 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.264 1.642 4.659 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.047 1.982 6.818 1.00 0.00 C ATOM 0 H LEU A 65 -2.068 0.664 4.544 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.382 2.939 6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.239 2.063 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.295 3.450 4.559 1.00 0.00 H new ATOM 0 HG LEU A 65 0.571 0.533 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.983 1.012 5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.159 1.295 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.617 2.673 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.783 1.348 7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.369 3.022 6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.083 1.875 7.315 1.00 0.00 H new ATOM 998 N PRO A 66 -2.424 4.747 4.902 1.00 0.00 N ATOM 999 CA PRO A 66 -3.236 5.767 4.232 1.00 0.00 C ATOM 1000 C PRO A 66 -2.699 6.119 2.849 1.00 0.00 C ATOM 1001 O PRO A 66 -1.505 5.980 2.581 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.132 6.974 5.168 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.845 6.781 5.894 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.674 5.294 6.045 1.00 0.00 C ATOM 0 HA PRO A 66 -4.258 5.428 4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.135 7.910 4.609 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.974 7.013 5.859 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.014 7.215 5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.868 7.272 6.867 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.624 5.005 6.012 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.073 4.938 6.995 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.588 6.575 1.973 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.203 6.947 0.616 1.00 0.00 C ATOM 1014 C LEU A 67 -2.036 7.930 0.631 1.00 0.00 C ATOM 1015 O LEU A 67 -1.125 7.841 -0.192 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.393 7.563 -0.122 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.072 8.746 0.569 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -4.661 10.055 -0.087 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.585 8.585 0.540 1.00 0.00 C ATOM 0 H LEU A 67 -4.580 6.696 2.178 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.887 6.044 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.056 7.888 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.139 6.784 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.749 8.768 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.154 10.886 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.580 10.175 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.954 10.043 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.051 9.436 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.926 8.537 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.863 7.667 1.057 1.00 0.00 H new ATOM 1031 N THR A 68 -2.070 8.866 1.574 1.00 0.00 N ATOM 1032 CA THR A 68 -1.015 9.864 1.697 1.00 0.00 C ATOM 1033 C THR A 68 0.353 9.205 1.828 1.00 0.00 C ATOM 1034 O THR A 68 1.373 9.796 1.473 1.00 0.00 O ATOM 1035 CB THR A 68 -1.249 10.781 2.913 1.00 0.00 C ATOM 1036 OG1 THR A 68 -0.095 11.600 3.138 1.00 0.00 O ATOM 1037 CG2 THR A 68 -1.547 9.962 4.159 1.00 0.00 C ATOM 0 H THR A 68 -2.816 8.954 2.264 1.00 0.00 H new ATOM 0 HA THR A 68 -1.040 10.464 0.788 1.00 0.00 H new ATOM 0 HB THR A 68 -2.109 11.416 2.701 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.252 12.181 3.911 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.709 10.631 5.004 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.442 9.362 3.995 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.704 9.305 4.373 1.00 0.00 H new ATOM 1045 N GLU A 69 0.368 7.978 2.340 1.00 0.00 N ATOM 1046 CA GLU A 69 1.612 7.240 2.517 1.00 0.00 C ATOM 1047 C GLU A 69 1.904 6.365 1.301 1.00 0.00 C ATOM 1048 O GLU A 69 2.935 6.521 0.644 1.00 0.00 O ATOM 1049 CB GLU A 69 1.542 6.373 3.776 1.00 0.00 C ATOM 1050 CG GLU A 69 1.682 7.163 5.067 1.00 0.00 C ATOM 1051 CD GLU A 69 3.123 7.284 5.524 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.585 6.397 6.272 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.788 8.266 5.133 1.00 0.00 O ATOM 0 H GLU A 69 -0.467 7.475 2.639 1.00 0.00 H new ATOM 0 HA GLU A 69 2.420 7.963 2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.591 5.840 3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.329 5.620 3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.265 8.160 4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.096 6.680 5.849 1.00 0.00 H new ATOM 1060 N ILE A 70 0.991 5.446 1.007 1.00 0.00 N ATOM 1061 CA ILE A 70 1.150 4.548 -0.130 1.00 0.00 C ATOM 1062 C ILE A 70 1.453 5.325 -1.406 1.00 0.00 C ATOM 1063 O ILE A 70 2.158 4.838 -2.289 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.110 3.691 -0.350 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.411 2.856 0.897 1.00 0.00 C ATOM 1066 CG2 ILE A 70 0.066 2.792 -1.565 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.660 1.837 1.215 1.00 0.00 C ATOM 0 H ILE A 70 0.133 5.304 1.540 1.00 0.00 H new ATOM 0 HA ILE A 70 1.990 3.892 0.100 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.955 4.355 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.531 3.523 1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.362 2.341 0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.833 2.192 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.237 3.405 -2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.920 2.133 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.380 1.282 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.765 1.146 0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.608 2.347 1.386 1.00 0.00 H new ATOM 1079 N ASN A 71 0.916 6.537 -1.496 1.00 0.00 N ATOM 1080 CA ASN A 71 1.130 7.383 -2.664 1.00 0.00 C ATOM 1081 C ASN A 71 2.618 7.625 -2.896 1.00 0.00 C ATOM 1082 O ASN A 71 3.095 7.590 -4.030 1.00 0.00 O ATOM 1083 CB ASN A 71 0.405 8.720 -2.491 1.00 0.00 C ATOM 1084 CG ASN A 71 -1.043 8.655 -2.937 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.410 7.830 -3.774 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.873 9.528 -2.379 1.00 0.00 N ATOM 0 H ASN A 71 0.329 6.955 -0.774 1.00 0.00 H new ATOM 0 HA ASN A 71 0.724 6.867 -3.534 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.447 9.020 -1.444 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.924 9.489 -3.063 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.859 9.533 -2.640 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.525 10.194 -1.689 1.00 0.00 H new ATOM 1093 N LYS A 72 3.348 7.870 -1.813 1.00 0.00 N ATOM 1094 CA LYS A 72 4.782 8.116 -1.895 1.00 0.00 C ATOM 1095 C LYS A 72 5.554 6.804 -1.994 1.00 0.00 C ATOM 1096 O LYS A 72 6.545 6.709 -2.718 1.00 0.00 O ATOM 1097 CB LYS A 72 5.256 8.909 -0.675 1.00 0.00 C ATOM 1098 CG LYS A 72 6.765 9.061 -0.597 1.00 0.00 C ATOM 1099 CD LYS A 72 7.189 9.770 0.678 1.00 0.00 C ATOM 1100 CE LYS A 72 7.842 8.809 1.660 1.00 0.00 C ATOM 1101 NZ LYS A 72 8.073 9.444 2.987 1.00 0.00 N ATOM 0 H LYS A 72 2.969 7.903 -0.867 1.00 0.00 H new ATOM 0 HA LYS A 72 4.974 8.699 -2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.800 9.899 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.902 8.414 0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.233 8.078 -0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.120 9.622 -1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.886 10.572 0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.319 10.233 1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.209 7.930 1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.792 8.463 1.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.519 8.757 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.697 10.268 2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.164 9.751 3.388 1.00 0.00 H new ATOM 1115 N ILE A 73 5.093 5.796 -1.261 1.00 0.00 N ATOM 1116 CA ILE A 73 5.740 4.489 -1.269 1.00 0.00 C ATOM 1117 C ILE A 73 5.695 3.862 -2.658 1.00 0.00 C ATOM 1118 O ILE A 73 6.733 3.548 -3.243 1.00 0.00 O ATOM 1119 CB ILE A 73 5.079 3.529 -0.263 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.115 4.126 1.145 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.774 2.175 -0.287 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.313 3.339 2.157 1.00 0.00 C ATOM 0 H ILE A 73 4.275 5.859 -0.655 1.00 0.00 H new ATOM 0 HA ILE A 73 6.778 4.648 -0.979 1.00 0.00 H new ATOM 0 HB ILE A 73 4.037 3.387 -0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.151 4.183 1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.735 5.147 1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.295 1.508 0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.702 1.747 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.824 2.300 -0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.385 3.821 3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.269 3.303 1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.707 2.325 2.224 1.00 0.00 H new ATOM 1134 N LEU A 74 4.487 3.682 -3.181 1.00 0.00 N ATOM 1135 CA LEU A 74 4.306 3.093 -4.504 1.00 0.00 C ATOM 1136 C LEU A 74 5.156 3.818 -5.543 1.00 0.00 C ATOM 1137 O LEU A 74 5.629 3.213 -6.506 1.00 0.00 O ATOM 1138 CB LEU A 74 2.832 3.144 -4.909 1.00 0.00 C ATOM 1139 CG LEU A 74 1.940 2.043 -4.333 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.498 2.241 -4.771 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.445 0.671 -4.756 1.00 0.00 C ATOM 0 H LEU A 74 3.619 3.935 -2.710 1.00 0.00 H new ATOM 0 HA LEU A 74 4.628 2.053 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.426 4.109 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.773 3.100 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 74 1.979 2.102 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.122 1.448 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.140 3.208 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.441 2.209 -5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.798 -0.100 -4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.437 0.600 -5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.462 0.529 -4.391 1.00 0.00 H new ATOM 1153 N LYS A 75 5.347 5.117 -5.342 1.00 0.00 N ATOM 1154 CA LYS A 75 6.142 5.925 -6.259 1.00 0.00 C ATOM 1155 C LYS A 75 7.633 5.743 -5.991 1.00 0.00 C ATOM 1156 O LYS A 75 8.451 5.819 -6.907 1.00 0.00 O ATOM 1157 CB LYS A 75 5.767 7.403 -6.126 1.00 0.00 C ATOM 1158 CG LYS A 75 5.384 8.054 -7.444 1.00 0.00 C ATOM 1159 CD LYS A 75 4.069 8.806 -7.334 1.00 0.00 C ATOM 1160 CE LYS A 75 4.074 10.066 -8.185 1.00 0.00 C ATOM 1161 NZ LYS A 75 3.150 9.955 -9.348 1.00 0.00 N ATOM 0 H LYS A 75 4.962 5.633 -4.551 1.00 0.00 H new ATOM 0 HA LYS A 75 5.929 5.592 -7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.935 7.497 -5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.608 7.945 -5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.172 8.741 -7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.304 7.291 -8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.251 8.158 -7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.886 9.070 -6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.785 10.919 -7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.086 10.259 -8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.183 10.834 -9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.441 9.156 -9.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.180 9.797 -9.007 1.00 0.00 H new ATOM 1175 N ASN A 76 7.978 5.502 -4.731 1.00 0.00 N ATOM 1176 CA ASN A 76 9.371 5.308 -4.344 1.00 0.00 C ATOM 1177 C ASN A 76 9.972 4.101 -5.059 1.00 0.00 C ATOM 1178 O ASN A 76 10.939 4.229 -5.811 1.00 0.00 O ATOM 1179 CB ASN A 76 9.480 5.123 -2.829 1.00 0.00 C ATOM 1180 CG ASN A 76 10.532 6.023 -2.211 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.731 5.788 -2.359 1.00 0.00 O ATOM 1182 ND2 ASN A 76 10.086 7.061 -1.513 1.00 0.00 N ATOM 0 H ASN A 76 7.313 5.436 -3.960 1.00 0.00 H new ATOM 0 HA ASN A 76 9.930 6.197 -4.637 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.513 5.330 -2.370 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.721 4.083 -2.609 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.747 7.702 -1.074 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.083 7.217 -1.416 1.00 0.00 H new ATOM 1189 N LEU A 77 9.392 2.930 -4.820 1.00 0.00 N ATOM 1190 CA LEU A 77 9.868 1.699 -5.442 1.00 0.00 C ATOM 1191 C LEU A 77 9.979 1.861 -6.954 1.00 0.00 C ATOM 1192 O LEU A 77 10.879 1.305 -7.583 1.00 0.00 O ATOM 1193 CB LEU A 77 8.929 0.539 -5.108 1.00 0.00 C ATOM 1194 CG LEU A 77 9.166 -0.152 -3.765 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.989 -1.047 -3.410 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.458 -0.956 -3.800 1.00 0.00 C ATOM 0 H LEU A 77 8.591 2.807 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 77 10.859 1.480 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.904 0.910 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.012 -0.208 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 77 9.258 0.614 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.176 -1.530 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.082 -0.446 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.864 -1.807 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.611 -1.441 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.394 -1.713 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.295 -0.290 -4.008 1.00 0.00 H new ATOM 1208 N GLU A 78 9.058 2.626 -7.532 1.00 0.00 N ATOM 1209 CA GLU A 78 9.054 2.862 -8.971 1.00 0.00 C ATOM 1210 C GLU A 78 10.367 3.492 -9.423 1.00 0.00 C ATOM 1211 O GLU A 78 11.070 2.947 -10.274 1.00 0.00 O ATOM 1212 CB GLU A 78 7.881 3.765 -9.359 1.00 0.00 C ATOM 1213 CG GLU A 78 7.376 3.533 -10.773 1.00 0.00 C ATOM 1214 CD GLU A 78 7.721 4.674 -11.710 1.00 0.00 C ATOM 1215 OE1 GLU A 78 8.873 5.154 -11.660 1.00 0.00 O ATOM 1216 OE2 GLU A 78 6.840 5.086 -12.493 1.00 0.00 O ATOM 0 H GLU A 78 8.305 3.093 -7.026 1.00 0.00 H new ATOM 0 HA GLU A 78 8.943 1.900 -9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.062 3.603 -8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.186 4.806 -9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.803 2.608 -11.160 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.294 3.400 -10.751 1.00 0.00 H new ATOM 1223 N SER A 79 10.692 4.646 -8.847 1.00 0.00 N ATOM 1224 CA SER A 79 11.919 5.354 -9.193 1.00 0.00 C ATOM 1225 C SER A 79 13.140 4.466 -8.973 1.00 0.00 C ATOM 1226 O SER A 79 14.116 4.535 -9.721 1.00 0.00 O ATOM 1227 CB SER A 79 12.047 6.632 -8.362 1.00 0.00 C ATOM 1228 OG SER A 79 11.915 7.785 -9.175 1.00 0.00 O ATOM 0 H SER A 79 10.123 5.110 -8.139 1.00 0.00 H new ATOM 0 HA SER A 79 11.870 5.619 -10.249 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.283 6.642 -7.585 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.014 6.647 -7.859 1.00 0.00 H new ATOM 0 HG SER A 79 11.999 8.588 -8.620 1.00 0.00 H new ATOM 1234 N LYS A 80 13.078 3.631 -7.941 1.00 0.00 N ATOM 1235 CA LYS A 80 14.176 2.727 -7.621 1.00 0.00 C ATOM 1236 C LYS A 80 14.321 1.647 -8.688 1.00 0.00 C ATOM 1237 O LYS A 80 15.320 0.929 -8.727 1.00 0.00 O ATOM 1238 CB LYS A 80 13.948 2.080 -6.253 1.00 0.00 C ATOM 1239 CG LYS A 80 13.535 3.067 -5.174 1.00 0.00 C ATOM 1240 CD LYS A 80 14.445 2.978 -3.960 1.00 0.00 C ATOM 1241 CE LYS A 80 14.024 3.959 -2.876 1.00 0.00 C ATOM 1242 NZ LYS A 80 14.357 5.364 -3.239 1.00 0.00 N ATOM 0 H LYS A 80 12.278 3.562 -7.312 1.00 0.00 H new ATOM 0 HA LYS A 80 15.097 3.310 -7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.178 1.314 -6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.863 1.576 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.561 4.080 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.506 2.870 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.425 1.963 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.473 3.183 -4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.951 3.873 -2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.518 3.699 -1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.162 5.689 -2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.608 5.412 -4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.534 5.974 -3.058 1.00 0.00 H new ATOM 1256 N LYS A 81 13.319 1.539 -9.554 1.00 0.00 N ATOM 1257 CA LYS A 81 13.335 0.549 -10.624 1.00 0.00 C ATOM 1258 C LYS A 81 13.333 -0.866 -10.056 1.00 0.00 C ATOM 1259 O LYS A 81 13.934 -1.777 -10.628 1.00 0.00 O ATOM 1260 CB LYS A 81 14.564 0.751 -11.515 1.00 0.00 C ATOM 1261 CG LYS A 81 14.332 0.370 -12.966 1.00 0.00 C ATOM 1262 CD LYS A 81 15.583 0.573 -13.803 1.00 0.00 C ATOM 1263 CE LYS A 81 15.243 1.029 -15.214 1.00 0.00 C ATOM 1264 NZ LYS A 81 16.465 1.316 -16.014 1.00 0.00 N ATOM 0 H LYS A 81 12.485 2.126 -9.535 1.00 0.00 H new ATOM 0 HA LYS A 81 12.434 0.682 -11.222 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.869 1.796 -11.467 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.390 0.159 -11.120 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.020 -0.673 -13.024 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.519 0.969 -13.375 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.225 1.313 -13.325 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.148 -0.358 -13.847 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.655 0.258 -15.713 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.622 1.923 -15.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.191 1.624 -16.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.014 2.069 -15.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.046 0.456 -16.081 1.00 0.00 H new ATOM 1278 N LEU A 82 12.654 -1.045 -8.929 1.00 0.00 N ATOM 1279 CA LEU A 82 12.572 -2.351 -8.284 1.00 0.00 C ATOM 1280 C LEU A 82 11.265 -3.053 -8.638 1.00 0.00 C ATOM 1281 O LEU A 82 11.184 -4.281 -8.621 1.00 0.00 O ATOM 1282 CB LEU A 82 12.688 -2.200 -6.766 1.00 0.00 C ATOM 1283 CG LEU A 82 14.049 -1.745 -6.239 1.00 0.00 C ATOM 1284 CD1 LEU A 82 13.951 -1.359 -4.771 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.090 -2.836 -6.437 1.00 0.00 C ATOM 0 H LEU A 82 12.152 -0.302 -8.442 1.00 0.00 H new ATOM 0 HA LEU A 82 13.400 -2.960 -8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.935 -1.486 -6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.444 -3.158 -6.306 1.00 0.00 H new ATOM 0 HG LEU A 82 14.361 -0.867 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.929 -1.038 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.237 -0.544 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.617 -2.219 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.052 -2.494 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.784 -3.733 -5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.181 -3.064 -7.499 1.00 0.00 H new ATOM 1297 N ILE A 83 10.245 -2.264 -8.961 1.00 0.00 N ATOM 1298 CA ILE A 83 8.943 -2.810 -9.322 1.00 0.00 C ATOM 1299 C ILE A 83 8.514 -2.337 -10.707 1.00 0.00 C ATOM 1300 O ILE A 83 9.176 -1.502 -11.323 1.00 0.00 O ATOM 1301 CB ILE A 83 7.862 -2.413 -8.300 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.778 -0.890 -8.179 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.157 -3.042 -6.946 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.716 -0.418 -7.211 1.00 0.00 C ATOM 0 H ILE A 83 10.296 -1.245 -8.980 1.00 0.00 H new ATOM 0 HA ILE A 83 9.047 -3.895 -9.326 1.00 0.00 H new ATOM 0 HB ILE A 83 6.899 -2.784 -8.649 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.746 -0.505 -7.859 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.576 -0.466 -9.163 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.384 -2.752 -6.234 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.171 -4.127 -7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.127 -2.697 -6.588 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.714 0.671 -7.176 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.740 -0.773 -7.541 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.928 -0.812 -6.217 1.00 0.00 H new ATOM 1316 N LYS A 84 7.401 -2.877 -11.192 1.00 0.00 N ATOM 1317 CA LYS A 84 6.880 -2.509 -12.504 1.00 0.00 C ATOM 1318 C LYS A 84 5.373 -2.281 -12.446 1.00 0.00 C ATOM 1319 O LYS A 84 4.612 -3.180 -12.089 1.00 0.00 O ATOM 1320 CB LYS A 84 7.202 -3.600 -13.527 1.00 0.00 C ATOM 1321 CG LYS A 84 6.631 -4.961 -13.166 1.00 0.00 C ATOM 1322 CD LYS A 84 7.280 -6.071 -13.977 1.00 0.00 C ATOM 1323 CE LYS A 84 6.446 -6.431 -15.196 1.00 0.00 C ATOM 1324 NZ LYS A 84 6.486 -7.891 -15.485 1.00 0.00 N ATOM 0 H LYS A 84 6.842 -3.571 -10.696 1.00 0.00 H new ATOM 0 HA LYS A 84 7.359 -1.579 -12.810 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.814 -3.299 -14.500 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.284 -3.684 -13.627 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.782 -5.150 -12.103 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.555 -4.963 -13.340 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.274 -5.757 -14.295 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.409 -6.953 -13.350 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.414 -6.121 -15.034 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.812 -5.879 -16.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.905 -8.095 -16.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.468 -8.182 -15.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.113 -8.417 -14.669 1.00 0.00 H new ATOM 1338 N ALA A 85 4.948 -1.072 -12.801 1.00 0.00 N ATOM 1339 CA ALA A 85 3.532 -0.727 -12.793 1.00 0.00 C ATOM 1340 C ALA A 85 2.822 -1.293 -14.018 1.00 0.00 C ATOM 1341 O ALA A 85 3.373 -1.301 -15.119 1.00 0.00 O ATOM 1342 CB ALA A 85 3.357 0.783 -12.729 1.00 0.00 C ATOM 0 H ALA A 85 5.565 -0.316 -13.098 1.00 0.00 H new ATOM 0 HA ALA A 85 3.080 -1.172 -11.906 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.295 1.026 -12.724 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.821 1.165 -11.820 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.830 1.241 -13.598 1.00 0.00 H new ATOM 1348 N VAL A 86 1.596 -1.766 -13.820 1.00 0.00 N ATOM 1349 CA VAL A 86 0.810 -2.333 -14.909 1.00 0.00 C ATOM 1350 C VAL A 86 -0.591 -1.732 -14.948 1.00 0.00 C ATOM 1351 O VAL A 86 -1.377 -1.901 -14.015 1.00 0.00 O ATOM 1352 CB VAL A 86 0.697 -3.864 -14.782 1.00 0.00 C ATOM 1353 CG1 VAL A 86 2.003 -4.531 -15.184 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.304 -4.252 -13.365 1.00 0.00 C ATOM 0 H VAL A 86 1.125 -1.768 -12.915 1.00 0.00 H new ATOM 0 HA VAL A 86 1.332 -2.090 -15.835 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.083 -4.211 -15.459 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.904 -5.612 -15.088 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.237 -4.279 -16.218 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.805 -4.181 -14.535 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.229 -5.337 -13.293 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.060 -3.893 -12.667 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.659 -3.804 -13.119 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.898 -1.030 -16.033 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.205 -0.404 -16.195 1.00 0.00 C ATOM 1366 C LYS A 87 -3.246 -1.427 -16.642 1.00 0.00 C ATOM 1367 O LYS A 87 -2.974 -2.271 -17.495 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.125 0.735 -17.213 1.00 0.00 C ATOM 1369 CG LYS A 87 -3.398 1.559 -17.306 1.00 0.00 C ATOM 1370 CD LYS A 87 -3.096 3.045 -17.391 1.00 0.00 C ATOM 1371 CE LYS A 87 -3.790 3.688 -18.582 1.00 0.00 C ATOM 1372 NZ LYS A 87 -3.229 3.209 -19.876 1.00 0.00 N ATOM 0 H LYS A 87 -0.259 -0.880 -16.814 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.509 0.000 -15.229 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.296 1.391 -16.947 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.899 0.318 -18.195 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.968 1.252 -18.183 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.023 1.363 -16.435 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.418 3.536 -16.473 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.019 3.194 -17.472 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.856 3.466 -18.544 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.688 4.771 -18.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.524 3.850 -20.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.191 3.192 -19.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.580 2.250 -20.073 1.00 0.00 H new ATOM 1386 N SER A 88 -4.438 -1.343 -16.061 1.00 0.00 N ATOM 1387 CA SER A 88 -5.519 -2.262 -16.397 1.00 0.00 C ATOM 1388 C SER A 88 -6.297 -1.764 -17.612 1.00 0.00 C ATOM 1389 O SER A 88 -6.507 -0.563 -17.779 1.00 0.00 O ATOM 1390 CB SER A 88 -6.463 -2.431 -15.206 1.00 0.00 C ATOM 1391 OG SER A 88 -7.330 -1.317 -15.080 1.00 0.00 O ATOM 0 H SER A 88 -4.680 -0.648 -15.355 1.00 0.00 H new ATOM 0 HA SER A 88 -5.078 -3.229 -16.641 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.050 -3.341 -15.330 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.882 -2.549 -14.291 1.00 0.00 H new ATOM 0 HG SER A 88 -7.924 -1.450 -14.312 1.00 0.00 H new ATOM 1397 N VAL A 89 -6.723 -2.697 -18.457 1.00 0.00 N ATOM 1398 CA VAL A 89 -7.479 -2.355 -19.656 1.00 0.00 C ATOM 1399 C VAL A 89 -6.685 -1.417 -20.557 1.00 0.00 C ATOM 1400 O VAL A 89 -6.793 -0.195 -20.449 1.00 0.00 O ATOM 1401 CB VAL A 89 -8.824 -1.693 -19.301 1.00 0.00 C ATOM 1402 CG1 VAL A 89 -9.599 -1.348 -20.564 1.00 0.00 C ATOM 1403 CG2 VAL A 89 -9.641 -2.600 -18.395 1.00 0.00 C ATOM 0 H VAL A 89 -6.557 -3.696 -18.334 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.670 -3.288 -20.187 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.623 -0.767 -18.763 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.546 -0.881 -20.294 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.015 -0.657 -21.172 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.792 -2.258 -21.132 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.588 -2.117 -18.154 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.835 -3.544 -18.904 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.087 -2.791 -17.476 1.00 0.00 H new ATOM 1413 N SER A 90 -5.886 -1.996 -21.448 1.00 0.00 N ATOM 1414 CA SER A 90 -5.070 -1.211 -22.367 1.00 0.00 C ATOM 1415 C SER A 90 -5.895 -0.745 -23.564 1.00 0.00 C ATOM 1416 O SER A 90 -5.732 -1.244 -24.676 1.00 0.00 O ATOM 1417 CB SER A 90 -3.873 -2.032 -22.848 1.00 0.00 C ATOM 1418 OG SER A 90 -2.909 -2.179 -21.820 1.00 0.00 O ATOM 0 H SER A 90 -5.786 -3.006 -21.553 1.00 0.00 H new ATOM 0 HA SER A 90 -4.708 -0.333 -21.833 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.211 -3.015 -23.177 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.418 -1.546 -23.711 1.00 0.00 H new ATOM 0 HG SER A 90 -2.155 -2.709 -22.152 1.00 0.00 H new ATOM 1424 N GLY A 91 -6.782 0.217 -23.325 1.00 0.00 N ATOM 1425 CA GLY A 91 -7.619 0.735 -24.390 1.00 0.00 C ATOM 1426 C GLY A 91 -7.160 2.093 -24.881 1.00 0.00 C ATOM 1427 O GLY A 91 -6.330 2.755 -24.256 1.00 0.00 O ATOM 0 H GLY A 91 -6.935 0.646 -22.412 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.618 0.032 -25.223 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.647 0.809 -24.036 1.00 0.00 H new ATOM 1431 N PRO A 92 -7.705 2.529 -26.026 1.00 0.00 N ATOM 1432 CA PRO A 92 -7.360 3.821 -26.626 1.00 0.00 C ATOM 1433 C PRO A 92 -7.889 4.997 -25.813 1.00 0.00 C ATOM 1434 O PRO A 92 -8.971 5.516 -26.087 1.00 0.00 O ATOM 1435 CB PRO A 92 -8.039 3.769 -27.997 1.00 0.00 C ATOM 1436 CG PRO A 92 -9.170 2.815 -27.823 1.00 0.00 C ATOM 1437 CD PRO A 92 -8.700 1.793 -26.824 1.00 0.00 C ATOM 0 HA PRO A 92 -6.282 3.972 -26.675 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.395 4.754 -28.300 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -7.348 3.428 -28.768 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.062 3.329 -27.465 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.432 2.343 -28.770 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.520 1.428 -26.206 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.260 0.925 -27.314 1.00 0.00 H new ATOM 1445 N SER A 93 -7.120 5.414 -24.813 1.00 0.00 N ATOM 1446 CA SER A 93 -7.514 6.527 -23.958 1.00 0.00 C ATOM 1447 C SER A 93 -6.316 7.417 -23.638 1.00 0.00 C ATOM 1448 O SER A 93 -6.184 7.923 -22.524 1.00 0.00 O ATOM 1449 CB SER A 93 -8.136 6.006 -22.661 1.00 0.00 C ATOM 1450 OG SER A 93 -7.458 4.852 -22.196 1.00 0.00 O ATOM 0 H SER A 93 -6.220 4.998 -24.575 1.00 0.00 H new ATOM 0 HA SER A 93 -8.254 7.121 -24.495 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.100 6.784 -21.899 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.187 5.771 -22.827 1.00 0.00 H new ATOM 0 HG SER A 93 -7.874 4.540 -21.365 1.00 0.00 H new ATOM 1456 N SER A 94 -5.446 7.604 -24.626 1.00 0.00 N ATOM 1457 CA SER A 94 -4.257 8.429 -24.450 1.00 0.00 C ATOM 1458 C SER A 94 -4.422 9.775 -25.150 1.00 0.00 C ATOM 1459 O SER A 94 -4.369 10.828 -24.515 1.00 0.00 O ATOM 1460 CB SER A 94 -3.023 7.706 -24.995 1.00 0.00 C ATOM 1461 OG SER A 94 -1.831 8.276 -24.484 1.00 0.00 O ATOM 0 H SER A 94 -5.543 7.196 -25.556 1.00 0.00 H new ATOM 0 HA SER A 94 -4.123 8.607 -23.383 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.069 6.650 -24.728 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.018 7.759 -26.084 1.00 0.00 H new ATOM 0 HG SER A 94 -1.057 7.795 -24.846 1.00 0.00 H new ATOM 1467 N GLY A 95 -4.621 9.732 -26.464 1.00 0.00 N ATOM 1468 CA GLY A 95 -4.790 10.953 -27.229 1.00 0.00 C ATOM 1469 C GLY A 95 -4.300 10.815 -28.657 1.00 0.00 C ATOM 1470 O GLY A 95 -4.727 11.557 -29.541 1.00 0.00 O ATOM 0 H GLY A 95 -4.668 8.873 -27.012 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -5.844 11.231 -27.235 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.249 11.763 -26.739 1.00 0.00 H new TER 1474 GLY A 95