USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 732 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 34 LYS NZ :NH3+ 166:sc= 1.41 (180deg=0) USER MOD Set 1.2: A 74 TYR OH : rot -131:sc= 1.23 USER MOD Single : A 1 ASP N :NH3+ -176:sc= 0 (180deg=-0.018) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 165:sc= 0.0507 USER MOD Single : A 8 THR OG1 : rot 127:sc= -2.64 USER MOD Single : A 13 GLN : amide:sc= -0.284 K(o=-0.28,f=-2.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -4.57! K(o=-4.6!,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -93:sc= 0.139 USER MOD Single : A 21 THR OG1 : rot -150:sc= -0.675 USER MOD Single : A 26 HIS : no HD1:sc= -0.0188 X(o=-0.019,f=-0.026) USER MOD Single : A 27 HIS : no HD1:sc= -2.45 K(o=-2.5,f=-6.3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.751 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= -3.15! X(o=-3.2!,f=-2.8) USER MOD Single : A 49 GLN : amide:sc= -0.407 K(o=-0.41,f=-1.4) USER MOD Single : A 55 THR OG1 : rot -40:sc= -0.219 USER MOD Single : A 57 ASN : amide:sc= -0.0183 K(o=-0.018,f=-1.6!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 64 SER OG : rot -82:sc= 0.478 USER MOD Single : A 65 THR OG1 : rot 44:sc= 0.357 USER MOD Single : A 71 SER OG : rot 59:sc= 0.719 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 150:sc= -1.37 USER MOD Single : A 80 HIS : no HD1:sc= 0.179 K(o=0.18,f=-3.7!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.26) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.289 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -0.073 1.159 19.743 1.00 0.00 N ATOM 2 CA ASP A 1 -1.482 0.709 19.547 1.00 0.00 C ATOM 3 C ASP A 1 -1.592 -0.148 18.284 1.00 0.00 C ATOM 4 O ASP A 1 -2.221 -1.188 18.282 1.00 0.00 O ATOM 5 CB ASP A 1 -2.290 1.998 19.394 1.00 0.00 C ATOM 6 CG ASP A 1 -2.815 2.437 20.763 1.00 0.00 C ATOM 7 OD1 ASP A 1 -3.715 1.788 21.267 1.00 0.00 O ATOM 8 OD2 ASP A 1 -2.306 3.417 21.284 1.00 0.00 O ATOM 0 H1 ASP A 1 0.003 1.683 20.638 1.00 0.00 H new ATOM 0 H2 ASP A 1 0.555 0.331 19.772 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.207 1.778 18.955 1.00 0.00 H new ATOM 0 HA ASP A 1 -1.841 0.099 20.376 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -1.667 2.782 18.963 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -3.122 1.839 18.708 1.00 0.00 H new ATOM 13 N LYS A 2 -0.950 0.266 17.216 1.00 0.00 N ATOM 14 CA LYS A 2 -0.969 -0.536 15.947 1.00 0.00 C ATOM 15 C LYS A 2 -2.410 -0.856 15.527 1.00 0.00 C ATOM 16 O LYS A 2 -3.004 -1.808 15.997 1.00 0.00 O ATOM 17 CB LYS A 2 -0.204 -1.824 16.266 1.00 0.00 C ATOM 18 CG LYS A 2 1.235 -1.480 16.655 1.00 0.00 C ATOM 19 CD LYS A 2 1.923 -2.725 17.219 1.00 0.00 C ATOM 20 CE LYS A 2 1.304 -3.083 18.572 1.00 0.00 C ATOM 21 NZ LYS A 2 2.202 -4.125 19.143 1.00 0.00 N ATOM 0 H LYS A 2 -0.410 1.130 17.168 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.516 0.011 15.120 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.694 -2.358 17.080 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.209 -2.487 15.401 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.780 -1.113 15.785 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.241 -0.681 17.396 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.814 -3.559 16.526 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.992 -2.543 17.333 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.247 -2.211 19.223 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.288 -3.459 18.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.842 -4.422 20.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.231 -4.946 18.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.161 -3.736 19.251 1.00 0.00 H new ATOM 35 N ASP A 3 -2.955 -0.089 14.617 1.00 0.00 N ATOM 36 CA ASP A 3 -4.339 -0.365 14.127 1.00 0.00 C ATOM 37 C ASP A 3 -4.456 -0.008 12.644 1.00 0.00 C ATOM 38 O ASP A 3 -3.486 0.366 12.009 1.00 0.00 O ATOM 39 CB ASP A 3 -5.244 0.535 14.969 1.00 0.00 C ATOM 40 CG ASP A 3 -5.761 -0.247 16.178 1.00 0.00 C ATOM 41 OD1 ASP A 3 -6.056 -1.420 16.017 1.00 0.00 O ATOM 42 OD2 ASP A 3 -5.853 0.341 17.243 1.00 0.00 O ATOM 0 H ASP A 3 -2.500 0.718 14.191 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.609 -1.417 14.222 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.693 1.415 15.301 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.081 0.891 14.368 1.00 0.00 H new ATOM 47 N VAL A 4 -5.643 -0.086 12.098 1.00 0.00 N ATOM 48 CA VAL A 4 -5.843 0.288 10.666 1.00 0.00 C ATOM 49 C VAL A 4 -7.075 1.189 10.523 1.00 0.00 C ATOM 50 O VAL A 4 -8.087 0.979 11.165 1.00 0.00 O ATOM 51 CB VAL A 4 -6.049 -1.048 9.935 1.00 0.00 C ATOM 52 CG1 VAL A 4 -6.400 -0.801 8.458 1.00 0.00 C ATOM 53 CG2 VAL A 4 -4.760 -1.871 10.021 1.00 0.00 C ATOM 0 H VAL A 4 -6.485 -0.394 12.585 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.000 0.846 10.257 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.870 -1.589 10.406 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.543 -1.756 7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.318 -0.216 8.395 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.588 -0.255 7.978 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.899 -2.821 9.504 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.944 -1.320 9.553 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.518 -2.059 11.067 1.00 0.00 H new ATOM 63 N LYS A 5 -7.016 2.139 9.626 1.00 0.00 N ATOM 64 CA LYS A 5 -8.202 3.005 9.359 1.00 0.00 C ATOM 65 C LYS A 5 -8.656 2.827 7.909 1.00 0.00 C ATOM 66 O LYS A 5 -7.848 2.653 7.016 1.00 0.00 O ATOM 67 CB LYS A 5 -7.713 4.434 9.599 1.00 0.00 C ATOM 68 CG LYS A 5 -7.429 4.633 11.089 1.00 0.00 C ATOM 69 CD LYS A 5 -5.958 4.326 11.375 1.00 0.00 C ATOM 70 CE LYS A 5 -5.495 5.129 12.593 1.00 0.00 C ATOM 71 NZ LYS A 5 -4.186 4.529 12.973 1.00 0.00 N ATOM 0 H LYS A 5 -6.192 2.353 9.064 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.052 2.758 9.995 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.811 4.623 9.018 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.465 5.148 9.263 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.661 5.657 11.380 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.069 3.980 11.682 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.827 3.260 11.558 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.348 4.577 10.507 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.390 6.187 12.352 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.214 5.058 13.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.804 5.027 13.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.319 3.524 13.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.520 4.617 12.179 1.00 0.00 H new ATOM 85 N TYR A 6 -9.941 2.885 7.666 1.00 0.00 N ATOM 86 CA TYR A 6 -10.449 2.739 6.269 1.00 0.00 C ATOM 87 C TYR A 6 -10.293 4.059 5.509 1.00 0.00 C ATOM 88 O TYR A 6 -11.236 4.812 5.356 1.00 0.00 O ATOM 89 CB TYR A 6 -11.926 2.371 6.418 1.00 0.00 C ATOM 90 CG TYR A 6 -12.055 0.874 6.569 1.00 0.00 C ATOM 91 CD1 TYR A 6 -11.369 0.213 7.595 1.00 0.00 C ATOM 92 CD2 TYR A 6 -12.859 0.146 5.683 1.00 0.00 C ATOM 93 CE1 TYR A 6 -11.487 -1.174 7.736 1.00 0.00 C ATOM 94 CE2 TYR A 6 -12.977 -1.242 5.825 1.00 0.00 C ATOM 95 CZ TYR A 6 -12.291 -1.902 6.851 1.00 0.00 C ATOM 96 OH TYR A 6 -12.408 -3.270 6.990 1.00 0.00 O ATOM 0 H TYR A 6 -10.660 3.027 8.375 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.900 1.984 5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.352 2.874 7.286 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.487 2.710 5.547 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -10.748 0.774 8.278 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.388 0.655 4.891 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.958 -1.683 8.528 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.598 -1.804 5.142 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.004 -3.620 6.295 1.00 0.00 H new ATOM 106 N TYR A 7 -9.118 4.317 4.994 1.00 0.00 N ATOM 107 CA TYR A 7 -8.900 5.560 4.194 1.00 0.00 C ATOM 108 C TYR A 7 -9.804 5.557 2.959 1.00 0.00 C ATOM 109 O TYR A 7 -10.709 4.750 2.846 1.00 0.00 O ATOM 110 CB TYR A 7 -7.426 5.523 3.785 1.00 0.00 C ATOM 111 CG TYR A 7 -6.561 5.710 5.009 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.676 6.876 5.774 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.645 4.717 5.380 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.876 7.051 6.909 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.845 4.893 6.515 1.00 0.00 C ATOM 116 CZ TYR A 7 -4.960 6.060 7.280 1.00 0.00 C ATOM 117 OH TYR A 7 -4.171 6.232 8.398 1.00 0.00 O ATOM 0 H TYR A 7 -8.298 3.719 5.093 1.00 0.00 H new ATOM 0 HA TYR A 7 -9.138 6.461 4.760 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.194 4.573 3.304 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.219 6.307 3.057 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.382 7.641 5.488 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.556 3.816 4.791 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.966 7.951 7.499 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.138 4.128 6.801 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.773 5.373 8.653 1.00 0.00 H new ATOM 127 N THR A 8 -9.554 6.438 2.024 1.00 0.00 N ATOM 128 CA THR A 8 -10.384 6.474 0.782 1.00 0.00 C ATOM 129 C THR A 8 -9.514 6.221 -0.452 1.00 0.00 C ATOM 130 O THR A 8 -8.328 6.494 -0.455 1.00 0.00 O ATOM 131 CB THR A 8 -10.976 7.884 0.741 1.00 0.00 C ATOM 132 OG1 THR A 8 -9.923 8.838 0.765 1.00 0.00 O ATOM 133 CG2 THR A 8 -11.885 8.093 1.953 1.00 0.00 C ATOM 0 H THR A 8 -8.810 7.135 2.067 1.00 0.00 H new ATOM 0 HA THR A 8 -11.157 5.706 0.784 1.00 0.00 H new ATOM 0 HB THR A 8 -11.559 8.008 -0.172 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.026 9.458 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.306 9.098 1.923 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.692 7.360 1.933 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.306 7.970 2.868 1.00 0.00 H new ATOM 141 N LEU A 9 -10.111 5.741 -1.513 1.00 0.00 N ATOM 142 CA LEU A 9 -9.343 5.509 -2.775 1.00 0.00 C ATOM 143 C LEU A 9 -8.955 6.847 -3.411 1.00 0.00 C ATOM 144 O LEU A 9 -7.930 6.961 -4.058 1.00 0.00 O ATOM 145 CB LEU A 9 -10.302 4.740 -3.686 1.00 0.00 C ATOM 146 CG LEU A 9 -9.532 4.156 -4.870 1.00 0.00 C ATOM 147 CD1 LEU A 9 -8.840 2.860 -4.443 1.00 0.00 C ATOM 148 CD2 LEU A 9 -10.508 3.856 -6.010 1.00 0.00 C ATOM 0 H LEU A 9 -11.101 5.499 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.418 4.960 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.788 3.941 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.089 5.403 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.783 4.874 -5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.291 2.445 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.147 3.069 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.588 2.142 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.962 3.439 -6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.254 3.138 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.004 4.777 -6.316 1.00 0.00 H new ATOM 160 N GLU A 10 -9.745 7.868 -3.193 1.00 0.00 N ATOM 161 CA GLU A 10 -9.403 9.216 -3.742 1.00 0.00 C ATOM 162 C GLU A 10 -8.199 9.800 -2.996 1.00 0.00 C ATOM 163 O GLU A 10 -7.424 10.556 -3.552 1.00 0.00 O ATOM 164 CB GLU A 10 -10.648 10.075 -3.505 1.00 0.00 C ATOM 165 CG GLU A 10 -11.643 9.857 -4.646 1.00 0.00 C ATOM 166 CD GLU A 10 -13.026 10.354 -4.220 1.00 0.00 C ATOM 167 OE1 GLU A 10 -13.475 9.957 -3.157 1.00 0.00 O ATOM 168 OE2 GLU A 10 -13.612 11.124 -4.963 1.00 0.00 O ATOM 0 H GLU A 10 -10.613 7.826 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.135 9.173 -4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.108 9.813 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.371 11.128 -3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.312 10.390 -5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.689 8.799 -4.905 1.00 0.00 H new ATOM 175 N GLU A 11 -8.018 9.423 -1.755 1.00 0.00 N ATOM 176 CA GLU A 11 -6.837 9.918 -0.982 1.00 0.00 C ATOM 177 C GLU A 11 -5.551 9.292 -1.525 1.00 0.00 C ATOM 178 O GLU A 11 -4.551 9.964 -1.699 1.00 0.00 O ATOM 179 CB GLU A 11 -7.085 9.469 0.460 1.00 0.00 C ATOM 180 CG GLU A 11 -7.796 10.585 1.228 1.00 0.00 C ATOM 181 CD GLU A 11 -8.036 10.140 2.671 1.00 0.00 C ATOM 182 OE1 GLU A 11 -8.304 8.967 2.871 1.00 0.00 O ATOM 183 OE2 GLU A 11 -7.948 10.979 3.552 1.00 0.00 O ATOM 0 H GLU A 11 -8.637 8.794 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.721 10.999 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.691 8.563 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.139 9.226 0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.193 11.493 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.745 10.824 0.748 1.00 0.00 H new ATOM 190 N ILE A 12 -5.583 8.019 -1.831 1.00 0.00 N ATOM 191 CA ILE A 12 -4.376 7.353 -2.411 1.00 0.00 C ATOM 192 C ILE A 12 -4.067 7.942 -3.792 1.00 0.00 C ATOM 193 O ILE A 12 -2.926 8.214 -4.117 1.00 0.00 O ATOM 194 CB ILE A 12 -4.746 5.868 -2.525 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.071 5.311 -1.136 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.570 5.085 -3.119 1.00 0.00 C ATOM 197 CD1 ILE A 12 -6.166 4.250 -1.256 1.00 0.00 C ATOM 0 H ILE A 12 -6.393 7.412 -1.704 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.488 7.498 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.616 5.766 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.177 4.877 -0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.399 6.115 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.837 4.031 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.336 5.475 -4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.699 5.191 -2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.398 3.853 -0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.062 4.698 -1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.820 3.441 -1.900 1.00 0.00 H new ATOM 209 N GLN A 13 -5.080 8.177 -4.586 1.00 0.00 N ATOM 210 CA GLN A 13 -4.861 8.792 -5.929 1.00 0.00 C ATOM 211 C GLN A 13 -4.937 10.319 -5.834 1.00 0.00 C ATOM 212 O GLN A 13 -5.596 10.965 -6.627 1.00 0.00 O ATOM 213 CB GLN A 13 -5.995 8.252 -6.801 1.00 0.00 C ATOM 214 CG GLN A 13 -5.877 6.730 -6.909 1.00 0.00 C ATOM 215 CD GLN A 13 -6.371 6.276 -8.283 1.00 0.00 C ATOM 216 OE1 GLN A 13 -6.272 7.007 -9.250 1.00 0.00 O ATOM 217 NE2 GLN A 13 -6.901 5.091 -8.414 1.00 0.00 N ATOM 0 H GLN A 13 -6.053 7.969 -4.361 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.880 8.550 -6.338 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.959 8.523 -6.371 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.951 8.702 -7.793 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.841 6.424 -6.764 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.463 6.253 -6.124 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.984 4.477 -7.604 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.232 4.778 -9.327 1.00 0.00 H new ATOM 226 N LYS A 14 -4.236 10.899 -4.892 1.00 0.00 N ATOM 227 CA LYS A 14 -4.227 12.387 -4.768 1.00 0.00 C ATOM 228 C LYS A 14 -3.112 12.833 -3.817 1.00 0.00 C ATOM 229 O LYS A 14 -3.323 13.647 -2.938 1.00 0.00 O ATOM 230 CB LYS A 14 -5.598 12.745 -4.191 1.00 0.00 C ATOM 231 CG LYS A 14 -5.864 14.238 -4.392 1.00 0.00 C ATOM 232 CD LYS A 14 -6.417 14.473 -5.799 1.00 0.00 C ATOM 233 CE LYS A 14 -6.264 15.950 -6.168 1.00 0.00 C ATOM 234 NZ LYS A 14 -6.713 16.041 -7.585 1.00 0.00 N ATOM 0 H LYS A 14 -3.669 10.405 -4.203 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.045 12.879 -5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.375 12.158 -4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.633 12.498 -3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.574 14.595 -3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.943 14.804 -4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.885 13.851 -6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.467 14.184 -5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.870 16.584 -5.520 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.231 16.279 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.637 17.026 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.114 15.433 -8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.702 15.728 -7.657 1.00 0.00 H new ATOM 248 N HIS A 15 -1.919 12.332 -4.015 1.00 0.00 N ATOM 249 CA HIS A 15 -0.772 12.754 -3.157 1.00 0.00 C ATOM 250 C HIS A 15 0.373 13.284 -4.025 1.00 0.00 C ATOM 251 O HIS A 15 1.527 13.227 -3.645 1.00 0.00 O ATOM 252 CB HIS A 15 -0.342 11.485 -2.419 1.00 0.00 C ATOM 253 CG HIS A 15 -1.101 11.376 -1.125 1.00 0.00 C ATOM 254 ND1 HIS A 15 -0.476 11.079 0.076 1.00 0.00 N ATOM 255 CD2 HIS A 15 -2.434 11.521 -0.828 1.00 0.00 C ATOM 256 CE1 HIS A 15 -1.423 11.055 1.031 1.00 0.00 C ATOM 257 NE2 HIS A 15 -2.634 11.318 0.534 1.00 0.00 N ATOM 0 H HIS A 15 -1.690 11.647 -4.736 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.044 13.554 -2.469 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.532 10.609 -3.039 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.730 11.511 -2.223 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.209 11.757 -1.543 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.228 10.848 2.073 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.517 11.361 1.044 1.00 0.00 H new ATOM 266 N LYS A 16 0.054 13.830 -5.171 1.00 0.00 N ATOM 267 CA LYS A 16 1.117 14.406 -6.053 1.00 0.00 C ATOM 268 C LYS A 16 1.832 15.560 -5.342 1.00 0.00 C ATOM 269 O LYS A 16 2.998 15.818 -5.578 1.00 0.00 O ATOM 270 CB LYS A 16 0.384 14.909 -7.305 1.00 0.00 C ATOM 271 CG LYS A 16 -0.665 15.959 -6.915 1.00 0.00 C ATOM 272 CD LYS A 16 -1.907 15.795 -7.792 1.00 0.00 C ATOM 273 CE LYS A 16 -1.638 16.392 -9.175 1.00 0.00 C ATOM 274 NZ LYS A 16 -2.384 15.518 -10.123 1.00 0.00 N ATOM 0 H LYS A 16 -0.896 13.902 -5.535 1.00 0.00 H new ATOM 0 HA LYS A 16 1.880 13.670 -6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.099 15.340 -8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.097 14.074 -7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.932 15.848 -5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.253 16.961 -7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.164 14.740 -7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.760 16.292 -7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.984 17.424 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.572 16.400 -9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.248 15.864 -11.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.028 14.543 -10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.397 15.536 -9.888 1.00 0.00 H new ATOM 288 N ASP A 17 1.152 16.231 -4.447 1.00 0.00 N ATOM 289 CA ASP A 17 1.795 17.341 -3.684 1.00 0.00 C ATOM 290 C ASP A 17 2.461 16.797 -2.418 1.00 0.00 C ATOM 291 O ASP A 17 3.457 17.322 -1.956 1.00 0.00 O ATOM 292 CB ASP A 17 0.651 18.289 -3.323 1.00 0.00 C ATOM 293 CG ASP A 17 1.156 19.733 -3.350 1.00 0.00 C ATOM 294 OD1 ASP A 17 1.583 20.170 -4.406 1.00 0.00 O ATOM 295 OD2 ASP A 17 1.108 20.376 -2.315 1.00 0.00 O ATOM 0 H ASP A 17 0.175 16.056 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 17 2.572 17.842 -4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.172 18.167 -4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.263 18.047 -2.334 1.00 0.00 H new ATOM 300 N SER A 18 1.939 15.725 -1.876 1.00 0.00 N ATOM 301 CA SER A 18 2.561 15.111 -0.665 1.00 0.00 C ATOM 302 C SER A 18 3.744 14.227 -1.068 1.00 0.00 C ATOM 303 O SER A 18 3.714 13.565 -2.088 1.00 0.00 O ATOM 304 CB SER A 18 1.453 14.269 -0.034 1.00 0.00 C ATOM 305 OG SER A 18 1.651 14.210 1.372 1.00 0.00 O ATOM 0 H SER A 18 1.106 15.248 -2.222 1.00 0.00 H new ATOM 0 HA SER A 18 2.946 15.861 0.026 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.478 14.703 -0.258 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.459 13.264 -0.456 1.00 0.00 H new ATOM 0 HG SER A 18 0.941 13.672 1.780 1.00 0.00 H new ATOM 311 N LYS A 19 4.768 14.186 -0.253 1.00 0.00 N ATOM 312 CA LYS A 19 5.941 13.312 -0.559 1.00 0.00 C ATOM 313 C LYS A 19 5.792 11.944 0.121 1.00 0.00 C ATOM 314 O LYS A 19 6.752 11.211 0.262 1.00 0.00 O ATOM 315 CB LYS A 19 7.144 14.059 0.014 1.00 0.00 C ATOM 316 CG LYS A 19 8.431 13.324 -0.365 1.00 0.00 C ATOM 317 CD LYS A 19 9.554 14.339 -0.585 1.00 0.00 C ATOM 318 CE LYS A 19 10.074 14.828 0.769 1.00 0.00 C ATOM 319 NZ LYS A 19 11.141 13.859 1.142 1.00 0.00 N ATOM 0 H LYS A 19 4.842 14.721 0.612 1.00 0.00 H new ATOM 0 HA LYS A 19 6.040 13.121 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.169 15.079 -0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.059 14.129 1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.708 12.625 0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.274 12.738 -1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.364 13.883 -1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.187 15.182 -1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.468 15.842 0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.279 14.846 1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.547 14.127 2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.735 12.904 1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.887 13.868 0.418 1.00 0.00 H new ATOM 333 N SER A 20 4.592 11.581 0.506 1.00 0.00 N ATOM 334 CA SER A 20 4.377 10.243 1.134 1.00 0.00 C ATOM 335 C SER A 20 3.968 9.220 0.071 1.00 0.00 C ATOM 336 O SER A 20 2.937 9.350 -0.562 1.00 0.00 O ATOM 337 CB SER A 20 3.243 10.454 2.137 1.00 0.00 C ATOM 338 OG SER A 20 3.796 10.738 3.416 1.00 0.00 O ATOM 0 H SER A 20 3.754 12.154 0.412 1.00 0.00 H new ATOM 0 HA SER A 20 5.279 9.862 1.612 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.604 11.275 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.616 9.564 2.188 1.00 0.00 H new ATOM 0 HG SER A 20 3.878 9.907 3.929 1.00 0.00 H new ATOM 344 N THR A 21 4.755 8.188 -0.106 1.00 0.00 N ATOM 345 CA THR A 21 4.400 7.131 -1.100 1.00 0.00 C ATOM 346 C THR A 21 3.245 6.270 -0.575 1.00 0.00 C ATOM 347 O THR A 21 3.385 5.557 0.403 1.00 0.00 O ATOM 348 CB THR A 21 5.672 6.291 -1.274 1.00 0.00 C ATOM 349 OG1 THR A 21 5.423 5.246 -2.203 1.00 0.00 O ATOM 350 CG2 THR A 21 6.099 5.686 0.069 1.00 0.00 C ATOM 0 H THR A 21 5.629 8.033 0.396 1.00 0.00 H new ATOM 0 HA THR A 21 4.068 7.556 -2.047 1.00 0.00 H new ATOM 0 HB THR A 21 6.472 6.933 -1.643 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.985 4.473 -1.984 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.003 5.093 -0.070 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.296 6.486 0.782 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.302 5.048 0.451 1.00 0.00 H new ATOM 358 N TRP A 22 2.120 6.303 -1.242 1.00 0.00 N ATOM 359 CA TRP A 22 0.963 5.459 -0.818 1.00 0.00 C ATOM 360 C TRP A 22 0.830 4.244 -1.742 1.00 0.00 C ATOM 361 O TRP A 22 -0.069 4.169 -2.558 1.00 0.00 O ATOM 362 CB TRP A 22 -0.258 6.372 -0.944 1.00 0.00 C ATOM 363 CG TRP A 22 -0.399 7.198 0.297 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.605 7.878 0.899 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.593 7.444 1.095 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.103 8.524 2.014 1.00 0.00 N ATOM 367 CE2 TRP A 22 -1.247 8.287 2.177 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.930 7.021 0.986 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -2.194 8.696 3.118 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.885 7.431 1.931 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.517 8.267 2.994 1.00 0.00 C ATOM 0 H TRP A 22 1.952 6.881 -2.066 1.00 0.00 H new ATOM 0 HA TRP A 22 1.078 5.073 0.195 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -0.152 7.020 -1.814 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.157 5.775 -1.099 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.631 7.911 0.563 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.662 9.105 2.639 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.224 6.377 0.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.905 9.340 3.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.909 7.100 1.838 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.256 8.579 3.717 1.00 0.00 H new ATOM 382 N VAL A 23 1.703 3.280 -1.593 1.00 0.00 N ATOM 383 CA VAL A 23 1.614 2.045 -2.430 1.00 0.00 C ATOM 384 C VAL A 23 0.571 1.087 -1.843 1.00 0.00 C ATOM 385 O VAL A 23 0.702 0.626 -0.725 1.00 0.00 O ATOM 386 CB VAL A 23 3.017 1.427 -2.375 1.00 0.00 C ATOM 387 CG1 VAL A 23 3.045 0.122 -3.178 1.00 0.00 C ATOM 388 CG2 VAL A 23 4.029 2.408 -2.974 1.00 0.00 C ATOM 0 H VAL A 23 2.475 3.295 -0.927 1.00 0.00 H new ATOM 0 HA VAL A 23 1.307 2.256 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 23 3.274 1.217 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.044 -0.311 -3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.327 -0.581 -2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.784 0.328 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.027 1.970 -2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.764 2.617 -4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.018 3.336 -2.403 1.00 0.00 H new ATOM 398 N ILE A 24 -0.447 0.771 -2.600 1.00 0.00 N ATOM 399 CA ILE A 24 -1.491 -0.178 -2.107 1.00 0.00 C ATOM 400 C ILE A 24 -0.997 -1.621 -2.242 1.00 0.00 C ATOM 401 O ILE A 24 -0.447 -2.006 -3.256 1.00 0.00 O ATOM 402 CB ILE A 24 -2.714 0.053 -3.005 1.00 0.00 C ATOM 403 CG1 ILE A 24 -3.113 1.541 -3.001 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.885 -0.789 -2.494 1.00 0.00 C ATOM 405 CD1 ILE A 24 -3.403 2.010 -1.571 1.00 0.00 C ATOM 0 H ILE A 24 -0.601 1.130 -3.542 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.726 -0.014 -1.055 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.462 -0.240 -4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.311 2.141 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.994 1.690 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.755 -0.627 -3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.611 -1.844 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.124 -0.497 -1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.684 3.063 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.220 1.422 -1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.512 1.879 -0.957 1.00 0.00 H new ATOM 417 N LEU A 25 -1.237 -2.431 -1.242 1.00 0.00 N ATOM 418 CA LEU A 25 -0.837 -3.867 -1.320 1.00 0.00 C ATOM 419 C LEU A 25 -1.792 -4.720 -0.480 1.00 0.00 C ATOM 420 O LEU A 25 -1.934 -4.515 0.710 1.00 0.00 O ATOM 421 CB LEU A 25 0.584 -3.919 -0.746 1.00 0.00 C ATOM 422 CG LEU A 25 1.482 -4.754 -1.661 1.00 0.00 C ATOM 423 CD1 LEU A 25 2.089 -3.856 -2.741 1.00 0.00 C ATOM 424 CD2 LEU A 25 2.605 -5.383 -0.835 1.00 0.00 C ATOM 0 H LEU A 25 -1.694 -2.158 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.874 -4.254 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.985 -2.910 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.566 -4.351 0.255 1.00 0.00 H new ATOM 0 HG LEU A 25 0.890 -5.539 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.729 -4.452 -3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.291 -3.405 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.681 -3.071 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.246 -5.978 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.196 -4.596 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.175 -6.023 -0.065 1.00 0.00 H new ATOM 436 N HIS A 26 -2.435 -5.689 -1.089 1.00 0.00 N ATOM 437 CA HIS A 26 -3.373 -6.584 -0.334 1.00 0.00 C ATOM 438 C HIS A 26 -4.407 -5.755 0.440 1.00 0.00 C ATOM 439 O HIS A 26 -4.542 -5.876 1.642 1.00 0.00 O ATOM 440 CB HIS A 26 -2.490 -7.383 0.631 1.00 0.00 C ATOM 441 CG HIS A 26 -1.666 -8.372 -0.147 1.00 0.00 C ATOM 442 ND1 HIS A 26 -2.014 -9.710 -0.243 1.00 0.00 N ATOM 443 CD2 HIS A 26 -0.508 -8.235 -0.870 1.00 0.00 C ATOM 444 CE1 HIS A 26 -1.083 -10.320 -0.999 1.00 0.00 C ATOM 445 NE2 HIS A 26 -0.141 -9.466 -1.407 1.00 0.00 N ATOM 0 H HIS A 26 -2.350 -5.900 -2.083 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.933 -7.237 -1.003 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -1.839 -6.709 1.188 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.109 -7.904 1.361 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.037 -7.312 -1.003 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.096 -11.371 -1.246 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.672 -9.671 -1.987 1.00 0.00 H new ATOM 453 N HIS A 27 -5.158 -4.931 -0.253 1.00 0.00 N ATOM 454 CA HIS A 27 -6.219 -4.105 0.416 1.00 0.00 C ATOM 455 C HIS A 27 -5.631 -3.300 1.584 1.00 0.00 C ATOM 456 O HIS A 27 -6.343 -2.885 2.479 1.00 0.00 O ATOM 457 CB HIS A 27 -7.256 -5.111 0.925 1.00 0.00 C ATOM 458 CG HIS A 27 -8.455 -4.373 1.455 1.00 0.00 C ATOM 459 ND1 HIS A 27 -9.262 -4.894 2.454 1.00 0.00 N ATOM 460 CD2 HIS A 27 -8.998 -3.153 1.133 1.00 0.00 C ATOM 461 CE1 HIS A 27 -10.237 -3.999 2.696 1.00 0.00 C ATOM 462 NE2 HIS A 27 -10.122 -2.919 1.919 1.00 0.00 N ATOM 0 H HIS A 27 -5.082 -4.793 -1.261 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.657 -3.381 -0.271 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.555 -5.780 0.118 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.822 -5.731 1.709 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.611 -2.478 0.384 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.018 -4.137 3.429 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.728 -2.099 1.905 1.00 0.00 H new ATOM 470 N LYS A 28 -4.346 -3.043 1.556 1.00 0.00 N ATOM 471 CA LYS A 28 -3.718 -2.225 2.637 1.00 0.00 C ATOM 472 C LYS A 28 -3.042 -0.986 2.040 1.00 0.00 C ATOM 473 O LYS A 28 -2.538 -1.017 0.934 1.00 0.00 O ATOM 474 CB LYS A 28 -2.679 -3.148 3.278 1.00 0.00 C ATOM 475 CG LYS A 28 -2.698 -2.964 4.798 1.00 0.00 C ATOM 476 CD LYS A 28 -2.391 -4.299 5.478 1.00 0.00 C ATOM 477 CE LYS A 28 -0.947 -4.707 5.175 1.00 0.00 C ATOM 478 NZ LYS A 28 -0.594 -5.687 6.240 1.00 0.00 N ATOM 0 H LYS A 28 -3.706 -3.365 0.830 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.449 -1.868 3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.894 -4.186 3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.687 -2.923 2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.963 -2.216 5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.673 -2.596 5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.537 -4.213 6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.079 -5.066 5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.862 -5.153 4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.280 -3.845 5.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.383 -6.014 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.678 -5.232 7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.241 -6.500 6.192 1.00 0.00 H new ATOM 492 N VAL A 29 -2.998 0.092 2.784 1.00 0.00 N ATOM 493 CA VAL A 29 -2.316 1.326 2.286 1.00 0.00 C ATOM 494 C VAL A 29 -0.949 1.470 2.961 1.00 0.00 C ATOM 495 O VAL A 29 -0.848 1.486 4.173 1.00 0.00 O ATOM 496 CB VAL A 29 -3.240 2.484 2.685 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.652 3.803 2.180 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.626 2.277 2.065 1.00 0.00 C ATOM 0 H VAL A 29 -3.406 0.170 3.716 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.144 1.302 1.210 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.330 2.514 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.308 4.626 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.667 3.955 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.561 3.769 1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.279 3.101 2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.538 2.244 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.048 1.338 2.424 1.00 0.00 H new ATOM 508 N TYR A 30 0.101 1.572 2.184 1.00 0.00 N ATOM 509 CA TYR A 30 1.464 1.712 2.779 1.00 0.00 C ATOM 510 C TYR A 30 1.976 3.148 2.649 1.00 0.00 C ATOM 511 O TYR A 30 2.096 3.672 1.557 1.00 0.00 O ATOM 512 CB TYR A 30 2.358 0.778 1.963 1.00 0.00 C ATOM 513 CG TYR A 30 2.037 -0.658 2.282 1.00 0.00 C ATOM 514 CD1 TYR A 30 0.917 -1.268 1.710 1.00 0.00 C ATOM 515 CD2 TYR A 30 2.865 -1.381 3.146 1.00 0.00 C ATOM 516 CE1 TYR A 30 0.624 -2.604 2.002 1.00 0.00 C ATOM 517 CE2 TYR A 30 2.575 -2.718 3.439 1.00 0.00 C ATOM 518 CZ TYR A 30 1.454 -3.330 2.867 1.00 0.00 C ATOM 519 OH TYR A 30 1.166 -4.649 3.155 1.00 0.00 O ATOM 0 H TYR A 30 0.072 1.564 1.164 1.00 0.00 H new ATOM 0 HA TYR A 30 1.457 1.468 3.841 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.214 0.963 0.898 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.406 0.982 2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.278 -0.708 1.043 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.729 -0.907 3.588 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.242 -3.076 1.561 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.215 -3.277 4.106 1.00 0.00 H new ATOM 0 HH TYR A 30 1.841 -5.005 3.770 1.00 0.00 H new ATOM 529 N ASP A 31 2.450 3.709 3.732 1.00 0.00 N ATOM 530 CA ASP A 31 3.157 5.021 3.651 1.00 0.00 C ATOM 531 C ASP A 31 4.657 4.780 3.831 1.00 0.00 C ATOM 532 O ASP A 31 5.185 4.888 4.921 1.00 0.00 O ATOM 533 CB ASP A 31 2.598 5.855 4.804 1.00 0.00 C ATOM 534 CG ASP A 31 3.246 7.241 4.797 1.00 0.00 C ATOM 535 OD1 ASP A 31 3.479 7.758 3.717 1.00 0.00 O ATOM 536 OD2 ASP A 31 3.499 7.760 5.871 1.00 0.00 O ATOM 0 H ASP A 31 2.377 3.314 4.670 1.00 0.00 H new ATOM 0 HA ASP A 31 3.012 5.527 2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.516 5.948 4.708 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.792 5.357 5.754 1.00 0.00 H new ATOM 541 N LEU A 32 5.321 4.353 2.787 1.00 0.00 N ATOM 542 CA LEU A 32 6.767 3.983 2.910 1.00 0.00 C ATOM 543 C LEU A 32 7.655 5.188 2.583 1.00 0.00 C ATOM 544 O LEU A 32 8.662 5.059 1.911 1.00 0.00 O ATOM 545 CB LEU A 32 7.014 2.849 1.890 1.00 0.00 C ATOM 546 CG LEU A 32 5.859 1.824 1.911 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.032 1.958 0.628 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.419 0.400 2.008 1.00 0.00 C ATOM 0 H LEU A 32 4.925 4.244 1.853 1.00 0.00 H new ATOM 0 HA LEU A 32 7.007 3.665 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.113 3.270 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.954 2.347 2.119 1.00 0.00 H new ATOM 0 HG LEU A 32 5.228 2.019 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.217 1.234 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.621 2.966 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.668 1.769 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.596 -0.314 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.058 0.201 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.002 0.300 2.924 1.00 0.00 H new ATOM 560 N THR A 33 7.319 6.344 3.097 1.00 0.00 N ATOM 561 CA THR A 33 8.174 7.550 2.864 1.00 0.00 C ATOM 562 C THR A 33 9.502 7.417 3.622 1.00 0.00 C ATOM 563 O THR A 33 10.502 7.991 3.233 1.00 0.00 O ATOM 564 CB THR A 33 7.361 8.739 3.391 1.00 0.00 C ATOM 565 OG1 THR A 33 8.118 9.931 3.234 1.00 0.00 O ATOM 566 CG2 THR A 33 7.028 8.541 4.874 1.00 0.00 C ATOM 0 H THR A 33 6.490 6.506 3.668 1.00 0.00 H new ATOM 0 HA THR A 33 8.425 7.674 1.810 1.00 0.00 H new ATOM 0 HB THR A 33 6.431 8.811 2.827 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.601 10.693 3.568 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.451 9.393 5.234 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.444 7.629 4.997 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.952 8.461 5.447 1.00 0.00 H new ATOM 574 N LYS A 34 9.530 6.628 4.668 1.00 0.00 N ATOM 575 CA LYS A 34 10.805 6.412 5.415 1.00 0.00 C ATOM 576 C LYS A 34 11.684 5.398 4.677 1.00 0.00 C ATOM 577 O LYS A 34 12.898 5.461 4.733 1.00 0.00 O ATOM 578 CB LYS A 34 10.380 5.862 6.778 1.00 0.00 C ATOM 579 CG LYS A 34 11.432 6.229 7.827 1.00 0.00 C ATOM 580 CD LYS A 34 10.745 6.500 9.168 1.00 0.00 C ATOM 581 CE LYS A 34 11.651 6.034 10.310 1.00 0.00 C ATOM 582 NZ LYS A 34 11.293 4.604 10.525 1.00 0.00 N ATOM 0 H LYS A 34 8.723 6.124 5.036 1.00 0.00 H new ATOM 0 HA LYS A 34 11.388 7.328 5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.410 6.272 7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.266 4.779 6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.153 5.418 7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.988 7.110 7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.531 7.564 9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.790 5.977 9.211 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.704 6.143 10.049 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.484 6.623 11.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.018 4.150 11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.371 4.545 11.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.239 4.118 9.607 1.00 0.00 H new ATOM 596 N PHE A 35 11.078 4.497 3.944 1.00 0.00 N ATOM 597 CA PHE A 35 11.873 3.512 3.150 1.00 0.00 C ATOM 598 C PHE A 35 12.509 4.204 1.941 1.00 0.00 C ATOM 599 O PHE A 35 13.580 3.834 1.498 1.00 0.00 O ATOM 600 CB PHE A 35 10.864 2.456 2.694 1.00 0.00 C ATOM 601 CG PHE A 35 11.598 1.204 2.279 1.00 0.00 C ATOM 602 CD1 PHE A 35 12.090 1.081 0.973 1.00 0.00 C ATOM 603 CD2 PHE A 35 11.786 0.165 3.199 1.00 0.00 C ATOM 604 CE1 PHE A 35 12.771 -0.080 0.588 1.00 0.00 C ATOM 605 CE2 PHE A 35 12.467 -0.996 2.813 1.00 0.00 C ATOM 606 CZ PHE A 35 12.959 -1.119 1.509 1.00 0.00 C ATOM 0 H PHE A 35 10.066 4.402 3.862 1.00 0.00 H new ATOM 0 HA PHE A 35 12.684 3.072 3.731 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.167 2.231 3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.274 2.837 1.861 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.944 1.882 0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.406 0.259 4.206 1.00 0.00 H new ATOM 0 HE1 PHE A 35 13.151 -0.175 -0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.613 -1.797 3.522 1.00 0.00 H new ATOM 0 HZ PHE A 35 13.484 -2.015 1.212 1.00 0.00 H new ATOM 616 N LEU A 36 11.878 5.234 1.438 1.00 0.00 N ATOM 617 CA LEU A 36 12.465 5.994 0.291 1.00 0.00 C ATOM 618 C LEU A 36 13.750 6.700 0.732 1.00 0.00 C ATOM 619 O LEU A 36 14.667 6.883 -0.048 1.00 0.00 O ATOM 620 CB LEU A 36 11.397 7.018 -0.102 1.00 0.00 C ATOM 621 CG LEU A 36 11.334 7.137 -1.625 1.00 0.00 C ATOM 622 CD1 LEU A 36 10.055 7.874 -2.026 1.00 0.00 C ATOM 623 CD2 LEU A 36 12.550 7.920 -2.125 1.00 0.00 C ATOM 0 H LEU A 36 10.980 5.583 1.772 1.00 0.00 H new ATOM 0 HA LEU A 36 12.727 5.344 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.426 6.714 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.629 7.987 0.339 1.00 0.00 H new ATOM 0 HG LEU A 36 11.334 6.141 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.009 7.959 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.188 7.319 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.055 8.870 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.506 8.006 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.549 8.916 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.462 7.397 -1.839 1.00 0.00 H new ATOM 635 N GLU A 37 13.833 7.064 1.986 1.00 0.00 N ATOM 636 CA GLU A 37 15.071 7.722 2.503 1.00 0.00 C ATOM 637 C GLU A 37 15.939 6.718 3.273 1.00 0.00 C ATOM 638 O GLU A 37 17.128 6.919 3.438 1.00 0.00 O ATOM 639 CB GLU A 37 14.571 8.824 3.439 1.00 0.00 C ATOM 640 CG GLU A 37 15.599 9.955 3.492 1.00 0.00 C ATOM 641 CD GLU A 37 15.016 11.139 4.267 1.00 0.00 C ATOM 642 OE1 GLU A 37 14.315 11.930 3.661 1.00 0.00 O ATOM 643 OE2 GLU A 37 15.282 11.232 5.454 1.00 0.00 O ATOM 0 H GLU A 37 13.094 6.933 2.677 1.00 0.00 H new ATOM 0 HA GLU A 37 15.690 8.115 1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.612 9.206 3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.407 8.420 4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.514 9.607 3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.867 10.265 2.482 1.00 0.00 H new ATOM 650 N GLU A 38 15.362 5.629 3.722 1.00 0.00 N ATOM 651 CA GLU A 38 16.161 4.600 4.454 1.00 0.00 C ATOM 652 C GLU A 38 16.941 3.723 3.468 1.00 0.00 C ATOM 653 O GLU A 38 17.970 3.168 3.804 1.00 0.00 O ATOM 654 CB GLU A 38 15.131 3.763 5.216 1.00 0.00 C ATOM 655 CG GLU A 38 15.853 2.727 6.080 1.00 0.00 C ATOM 656 CD GLU A 38 14.918 2.252 7.194 1.00 0.00 C ATOM 657 OE1 GLU A 38 14.362 3.098 7.875 1.00 0.00 O ATOM 658 OE2 GLU A 38 14.775 1.050 7.348 1.00 0.00 O ATOM 0 H GLU A 38 14.372 5.410 3.612 1.00 0.00 H new ATOM 0 HA GLU A 38 16.895 5.052 5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.514 4.408 5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.462 3.264 4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.166 1.881 5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.756 3.161 6.509 1.00 0.00 H new ATOM 665 N HIS A 39 16.480 3.625 2.245 1.00 0.00 N ATOM 666 CA HIS A 39 17.219 2.823 1.224 1.00 0.00 C ATOM 667 C HIS A 39 17.521 3.683 -0.016 1.00 0.00 C ATOM 668 O HIS A 39 16.907 3.508 -1.050 1.00 0.00 O ATOM 669 CB HIS A 39 16.274 1.672 0.869 1.00 0.00 C ATOM 670 CG HIS A 39 16.051 0.812 2.082 1.00 0.00 C ATOM 671 ND1 HIS A 39 14.961 0.984 2.920 1.00 0.00 N ATOM 672 CD2 HIS A 39 16.770 -0.230 2.611 1.00 0.00 C ATOM 673 CE1 HIS A 39 15.053 0.067 3.900 1.00 0.00 C ATOM 674 NE2 HIS A 39 16.138 -0.700 3.760 1.00 0.00 N ATOM 0 H HIS A 39 15.623 4.066 1.911 1.00 0.00 H new ATOM 0 HA HIS A 39 18.178 2.463 1.595 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.323 2.066 0.510 1.00 0.00 H new ATOM 0 HB3 HIS A 39 16.698 1.076 0.061 1.00 0.00 H new ATOM 0 HD1 HIS A 39 14.223 1.680 2.813 1.00 0.00 H new ATOM 0 HD2 HIS A 39 17.687 -0.626 2.199 1.00 0.00 H new ATOM 0 HE1 HIS A 39 14.337 -0.037 4.702 1.00 0.00 H new ATOM 682 N PRO A 40 18.466 4.595 0.120 1.00 0.00 N ATOM 683 CA PRO A 40 18.840 5.482 -1.020 1.00 0.00 C ATOM 684 C PRO A 40 19.179 4.661 -2.272 1.00 0.00 C ATOM 685 O PRO A 40 19.066 5.140 -3.385 1.00 0.00 O ATOM 686 CB PRO A 40 20.081 6.215 -0.513 1.00 0.00 C ATOM 687 CG PRO A 40 19.968 6.179 0.975 1.00 0.00 C ATOM 688 CD PRO A 40 19.265 4.894 1.322 1.00 0.00 C ATOM 0 HA PRO A 40 18.031 6.153 -1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 40 20.994 5.726 -0.852 1.00 0.00 H new ATOM 0 HB3 PRO A 40 20.113 7.240 -0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 40 20.953 6.219 1.439 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.407 7.039 1.342 1.00 0.00 H new ATOM 0 HD2 PRO A 40 19.975 4.096 1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.634 5.008 2.203 1.00 0.00 H new ATOM 696 N GLY A 41 19.570 3.423 -2.096 1.00 0.00 N ATOM 697 CA GLY A 41 19.891 2.559 -3.271 1.00 0.00 C ATOM 698 C GLY A 41 18.601 2.191 -4.005 1.00 0.00 C ATOM 699 O GLY A 41 18.199 1.042 -4.032 1.00 0.00 O ATOM 0 H GLY A 41 19.681 2.974 -1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 41 20.569 3.082 -3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 41 20.404 1.656 -2.941 1.00 0.00 H new ATOM 703 N GLY A 42 17.976 3.150 -4.639 1.00 0.00 N ATOM 704 CA GLY A 42 16.738 2.858 -5.419 1.00 0.00 C ATOM 705 C GLY A 42 15.678 3.918 -5.117 1.00 0.00 C ATOM 706 O GLY A 42 14.885 4.270 -5.966 1.00 0.00 O ATOM 0 H GLY A 42 18.272 4.126 -4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.962 2.847 -6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.360 1.868 -5.163 1.00 0.00 H new ATOM 710 N GLU A 43 15.685 4.451 -3.918 1.00 0.00 N ATOM 711 CA GLU A 43 14.706 5.524 -3.539 1.00 0.00 C ATOM 712 C GLU A 43 13.260 5.039 -3.751 1.00 0.00 C ATOM 713 O GLU A 43 12.648 4.504 -2.845 1.00 0.00 O ATOM 714 CB GLU A 43 15.033 6.727 -4.436 1.00 0.00 C ATOM 715 CG GLU A 43 16.112 7.581 -3.768 1.00 0.00 C ATOM 716 CD GLU A 43 16.298 8.878 -4.559 1.00 0.00 C ATOM 717 OE1 GLU A 43 16.675 8.794 -5.716 1.00 0.00 O ATOM 718 OE2 GLU A 43 16.061 9.932 -3.993 1.00 0.00 O ATOM 0 H GLU A 43 16.334 4.186 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 43 14.786 5.791 -2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.377 6.384 -5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 43 14.136 7.322 -4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 43 15.828 7.807 -2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.052 7.031 -3.725 1.00 0.00 H new ATOM 725 N GLU A 44 12.726 5.174 -4.943 1.00 0.00 N ATOM 726 CA GLU A 44 11.346 4.668 -5.213 1.00 0.00 C ATOM 727 C GLU A 44 11.387 3.168 -5.519 1.00 0.00 C ATOM 728 O GLU A 44 10.937 2.724 -6.559 1.00 0.00 O ATOM 729 CB GLU A 44 10.868 5.457 -6.434 1.00 0.00 C ATOM 730 CG GLU A 44 10.821 6.948 -6.096 1.00 0.00 C ATOM 731 CD GLU A 44 9.530 7.258 -5.335 1.00 0.00 C ATOM 732 OE1 GLU A 44 9.282 6.605 -4.335 1.00 0.00 O ATOM 733 OE2 GLU A 44 8.811 8.145 -5.765 1.00 0.00 O ATOM 0 H GLU A 44 13.188 5.613 -5.739 1.00 0.00 H new ATOM 0 HA GLU A 44 10.680 4.799 -4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.539 5.286 -7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.880 5.112 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.686 7.222 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.869 7.541 -7.010 1.00 0.00 H new ATOM 740 N VAL A 45 11.904 2.384 -4.606 1.00 0.00 N ATOM 741 CA VAL A 45 11.959 0.917 -4.808 1.00 0.00 C ATOM 742 C VAL A 45 10.539 0.332 -4.813 1.00 0.00 C ATOM 743 O VAL A 45 10.215 -0.521 -5.618 1.00 0.00 O ATOM 744 CB VAL A 45 12.765 0.419 -3.604 1.00 0.00 C ATOM 745 CG1 VAL A 45 12.841 -1.090 -3.631 1.00 0.00 C ATOM 746 CG2 VAL A 45 14.184 0.996 -3.660 1.00 0.00 C ATOM 0 H VAL A 45 12.293 2.709 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 45 12.409 0.624 -5.757 1.00 0.00 H new ATOM 0 HB VAL A 45 12.274 0.743 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.415 -1.441 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.834 -1.506 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 45 13.329 -1.413 -4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 45 14.755 0.640 -2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 45 14.672 0.674 -4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.135 2.085 -3.637 1.00 0.00 H new ATOM 756 N LEU A 46 9.690 0.807 -3.938 1.00 0.00 N ATOM 757 CA LEU A 46 8.281 0.307 -3.907 1.00 0.00 C ATOM 758 C LEU A 46 7.476 0.908 -5.061 1.00 0.00 C ATOM 759 O LEU A 46 6.886 0.197 -5.853 1.00 0.00 O ATOM 760 CB LEU A 46 7.720 0.774 -2.563 1.00 0.00 C ATOM 761 CG LEU A 46 8.523 0.141 -1.426 1.00 0.00 C ATOM 762 CD1 LEU A 46 8.390 0.999 -0.168 1.00 0.00 C ATOM 763 CD2 LEU A 46 7.984 -1.264 -1.143 1.00 0.00 C ATOM 0 H LEU A 46 9.911 1.520 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 46 8.229 -0.776 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.768 1.861 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.670 0.496 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 46 9.572 0.078 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.962 0.548 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.772 2.000 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.341 1.062 0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.556 -1.717 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.935 -1.200 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.078 -1.877 -2.039 1.00 0.00 H new ATOM 775 N ARG A 47 7.472 2.212 -5.178 1.00 0.00 N ATOM 776 CA ARG A 47 6.733 2.867 -6.301 1.00 0.00 C ATOM 777 C ARG A 47 7.718 3.411 -7.341 1.00 0.00 C ATOM 778 O ARG A 47 7.850 4.608 -7.519 1.00 0.00 O ATOM 779 CB ARG A 47 5.938 4.008 -5.653 1.00 0.00 C ATOM 780 CG ARG A 47 6.889 4.972 -4.930 1.00 0.00 C ATOM 781 CD ARG A 47 6.461 6.420 -5.197 1.00 0.00 C ATOM 782 NE ARG A 47 5.073 6.524 -4.648 1.00 0.00 N ATOM 783 CZ ARG A 47 4.247 7.473 -5.043 1.00 0.00 C ATOM 784 NH1 ARG A 47 4.618 8.396 -5.901 1.00 0.00 N ATOM 785 NH2 ARG A 47 3.031 7.496 -4.569 1.00 0.00 N ATOM 0 H ARG A 47 7.949 2.852 -4.544 1.00 0.00 H new ATOM 0 HA ARG A 47 6.079 2.169 -6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.373 4.546 -6.414 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.214 3.601 -4.947 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.879 4.772 -3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.911 4.816 -5.274 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.132 7.126 -4.708 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.481 6.647 -6.263 1.00 0.00 H new ATOM 0 HE ARG A 47 4.759 5.846 -3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.565 8.390 -6.279 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.959 9.119 -6.190 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.730 6.786 -3.902 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.382 8.224 -4.866 1.00 0.00 H new ATOM 799 N GLU A 48 8.367 2.537 -8.068 1.00 0.00 N ATOM 800 CA GLU A 48 9.296 2.994 -9.148 1.00 0.00 C ATOM 801 C GLU A 48 8.507 3.701 -10.255 1.00 0.00 C ATOM 802 O GLU A 48 9.004 4.602 -10.904 1.00 0.00 O ATOM 803 CB GLU A 48 9.950 1.720 -9.687 1.00 0.00 C ATOM 804 CG GLU A 48 11.296 1.502 -8.992 1.00 0.00 C ATOM 805 CD GLU A 48 12.231 0.726 -9.920 1.00 0.00 C ATOM 806 OE1 GLU A 48 12.021 -0.465 -10.080 1.00 0.00 O ATOM 807 OE2 GLU A 48 13.141 1.336 -10.457 1.00 0.00 O ATOM 0 H GLU A 48 8.294 1.525 -7.961 1.00 0.00 H new ATOM 0 HA GLU A 48 10.038 3.702 -8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.298 0.864 -9.516 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.094 1.801 -10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.741 2.462 -8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.152 0.953 -8.062 1.00 0.00 H new ATOM 814 N GLN A 49 7.264 3.325 -10.444 1.00 0.00 N ATOM 815 CA GLN A 49 6.404 3.996 -11.474 1.00 0.00 C ATOM 816 C GLN A 49 7.095 3.995 -12.844 1.00 0.00 C ATOM 817 O GLN A 49 7.082 4.983 -13.554 1.00 0.00 O ATOM 818 CB GLN A 49 6.207 5.432 -10.974 1.00 0.00 C ATOM 819 CG GLN A 49 5.533 5.412 -9.600 1.00 0.00 C ATOM 820 CD GLN A 49 4.120 4.840 -9.727 1.00 0.00 C ATOM 821 OE1 GLN A 49 3.494 4.961 -10.761 1.00 0.00 O ATOM 822 NE2 GLN A 49 3.588 4.216 -8.711 1.00 0.00 N ATOM 0 H GLN A 49 6.804 2.577 -9.925 1.00 0.00 H new ATOM 0 HA GLN A 49 5.454 3.477 -11.601 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.169 5.940 -10.910 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.596 5.993 -11.681 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.119 4.809 -8.906 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.492 6.421 -9.190 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.114 4.114 -7.843 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.647 3.830 -8.785 1.00 0.00 H new ATOM 831 N ALA A 50 7.662 2.880 -13.229 1.00 0.00 N ATOM 832 CA ALA A 50 8.317 2.789 -14.569 1.00 0.00 C ATOM 833 C ALA A 50 7.346 2.199 -15.593 1.00 0.00 C ATOM 834 O ALA A 50 7.395 2.523 -16.766 1.00 0.00 O ATOM 835 CB ALA A 50 9.512 1.858 -14.363 1.00 0.00 C ATOM 0 H ALA A 50 7.700 2.027 -12.672 1.00 0.00 H new ATOM 0 HA ALA A 50 8.622 3.765 -14.947 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.047 1.739 -15.305 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.182 2.285 -13.616 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.160 0.885 -14.021 1.00 0.00 H new ATOM 841 N GLY A 51 6.439 1.365 -15.151 1.00 0.00 N ATOM 842 CA GLY A 51 5.429 0.783 -16.084 1.00 0.00 C ATOM 843 C GLY A 51 5.243 -0.704 -15.774 1.00 0.00 C ATOM 844 O GLY A 51 5.241 -1.535 -16.662 1.00 0.00 O ATOM 0 H GLY A 51 6.355 1.062 -14.181 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.479 1.308 -15.982 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.755 0.912 -17.116 1.00 0.00 H new ATOM 848 N GLY A 52 5.049 -1.037 -14.523 1.00 0.00 N ATOM 849 CA GLY A 52 4.817 -2.463 -14.149 1.00 0.00 C ATOM 850 C GLY A 52 3.476 -2.590 -13.424 1.00 0.00 C ATOM 851 O GLY A 52 2.456 -2.133 -13.905 1.00 0.00 O ATOM 0 H GLY A 52 5.041 -0.380 -13.743 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.821 -3.089 -15.041 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.624 -2.818 -13.508 1.00 0.00 H new ATOM 855 N ASP A 53 3.479 -3.173 -12.252 1.00 0.00 N ATOM 856 CA ASP A 53 2.214 -3.295 -11.466 1.00 0.00 C ATOM 857 C ASP A 53 2.523 -3.722 -10.026 1.00 0.00 C ATOM 858 O ASP A 53 3.658 -3.689 -9.592 1.00 0.00 O ATOM 859 CB ASP A 53 1.390 -4.369 -12.187 1.00 0.00 C ATOM 860 CG ASP A 53 2.175 -5.685 -12.243 1.00 0.00 C ATOM 861 OD1 ASP A 53 2.076 -6.451 -11.299 1.00 0.00 O ATOM 862 OD2 ASP A 53 2.860 -5.902 -13.229 1.00 0.00 O ATOM 0 H ASP A 53 4.305 -3.571 -11.805 1.00 0.00 H new ATOM 0 HA ASP A 53 1.675 -2.349 -11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.444 -4.522 -11.668 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.149 -4.037 -13.197 1.00 0.00 H new ATOM 867 N ALA A 54 1.524 -4.157 -9.302 1.00 0.00 N ATOM 868 CA ALA A 54 1.755 -4.632 -7.905 1.00 0.00 C ATOM 869 C ALA A 54 2.242 -6.083 -7.913 1.00 0.00 C ATOM 870 O ALA A 54 1.823 -6.882 -8.730 1.00 0.00 O ATOM 871 CB ALA A 54 0.393 -4.527 -7.220 1.00 0.00 C ATOM 0 H ALA A 54 0.556 -4.204 -9.619 1.00 0.00 H new ATOM 0 HA ALA A 54 2.516 -4.045 -7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.479 -4.859 -6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.054 -3.491 -7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.327 -5.155 -7.744 1.00 0.00 H new ATOM 877 N THR A 55 3.095 -6.437 -6.986 1.00 0.00 N ATOM 878 CA THR A 55 3.582 -7.847 -6.904 1.00 0.00 C ATOM 879 C THR A 55 3.997 -8.181 -5.468 1.00 0.00 C ATOM 880 O THR A 55 4.053 -7.316 -4.614 1.00 0.00 O ATOM 881 CB THR A 55 4.790 -7.903 -7.840 1.00 0.00 C ATOM 882 OG1 THR A 55 4.494 -7.195 -9.036 1.00 0.00 O ATOM 883 CG2 THR A 55 5.112 -9.361 -8.173 1.00 0.00 C ATOM 0 H THR A 55 3.477 -5.808 -6.280 1.00 0.00 H new ATOM 0 HA THR A 55 2.814 -8.567 -7.187 1.00 0.00 H new ATOM 0 HB THR A 55 5.651 -7.446 -7.351 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.568 -7.375 -9.302 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.973 -9.400 -8.840 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.340 -9.902 -7.255 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.253 -9.821 -8.662 1.00 0.00 H new ATOM 891 N GLU A 56 4.325 -9.421 -5.212 1.00 0.00 N ATOM 892 CA GLU A 56 4.781 -9.813 -3.844 1.00 0.00 C ATOM 893 C GLU A 56 6.287 -9.573 -3.701 1.00 0.00 C ATOM 894 O GLU A 56 6.757 -9.135 -2.669 1.00 0.00 O ATOM 895 CB GLU A 56 4.463 -11.305 -3.732 1.00 0.00 C ATOM 896 CG GLU A 56 4.342 -11.693 -2.257 1.00 0.00 C ATOM 897 CD GLU A 56 2.924 -11.396 -1.766 1.00 0.00 C ATOM 898 OE1 GLU A 56 1.999 -11.582 -2.540 1.00 0.00 O ATOM 899 OE2 GLU A 56 2.787 -10.988 -0.624 1.00 0.00 O ATOM 0 H GLU A 56 4.297 -10.181 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 56 4.290 -9.232 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.534 -11.530 -4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.248 -11.892 -4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.568 -12.751 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.068 -11.137 -1.663 1.00 0.00 H new ATOM 906 N ASN A 57 7.037 -9.824 -4.743 1.00 0.00 N ATOM 907 CA ASN A 57 8.508 -9.572 -4.693 1.00 0.00 C ATOM 908 C ASN A 57 8.923 -8.622 -5.819 1.00 0.00 C ATOM 909 O ASN A 57 9.269 -9.048 -6.905 1.00 0.00 O ATOM 910 CB ASN A 57 9.151 -10.946 -4.886 1.00 0.00 C ATOM 911 CG ASN A 57 8.962 -11.782 -3.619 1.00 0.00 C ATOM 912 OD1 ASN A 57 8.838 -11.245 -2.536 1.00 0.00 O ATOM 913 ND2 ASN A 57 8.935 -13.084 -3.709 1.00 0.00 N ATOM 0 H ASN A 57 6.693 -10.194 -5.629 1.00 0.00 H new ATOM 0 HA ASN A 57 8.815 -9.105 -3.757 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.701 -11.453 -5.739 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.213 -10.834 -5.106 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.810 -13.651 -2.870 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.039 -13.535 -4.618 1.00 0.00 H new ATOM 920 N PHE A 58 8.925 -7.340 -5.554 1.00 0.00 N ATOM 921 CA PHE A 58 9.358 -6.355 -6.590 1.00 0.00 C ATOM 922 C PHE A 58 10.283 -5.302 -5.968 1.00 0.00 C ATOM 923 O PHE A 58 10.099 -4.114 -6.159 1.00 0.00 O ATOM 924 CB PHE A 58 8.064 -5.710 -7.104 1.00 0.00 C ATOM 925 CG PHE A 58 7.316 -5.056 -5.962 1.00 0.00 C ATOM 926 CD1 PHE A 58 6.519 -5.833 -5.111 1.00 0.00 C ATOM 927 CD2 PHE A 58 7.419 -3.675 -5.758 1.00 0.00 C ATOM 928 CE1 PHE A 58 5.828 -5.228 -4.055 1.00 0.00 C ATOM 929 CE2 PHE A 58 6.726 -3.070 -4.701 1.00 0.00 C ATOM 930 CZ PHE A 58 5.931 -3.847 -3.850 1.00 0.00 C ATOM 0 H PHE A 58 8.644 -6.932 -4.662 1.00 0.00 H new ATOM 0 HA PHE A 58 9.918 -6.828 -7.397 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.297 -4.968 -7.868 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.435 -6.465 -7.575 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.438 -6.898 -5.270 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.032 -3.076 -6.415 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.215 -5.827 -3.398 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.805 -2.005 -4.543 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.397 -3.381 -3.035 1.00 0.00 H new ATOM 940 N GLU A 59 11.295 -5.734 -5.260 1.00 0.00 N ATOM 941 CA GLU A 59 12.263 -4.768 -4.661 1.00 0.00 C ATOM 942 C GLU A 59 13.602 -4.831 -5.402 1.00 0.00 C ATOM 943 O GLU A 59 14.229 -5.871 -5.480 1.00 0.00 O ATOM 944 CB GLU A 59 12.432 -5.226 -3.211 1.00 0.00 C ATOM 945 CG GLU A 59 13.342 -4.246 -2.468 1.00 0.00 C ATOM 946 CD GLU A 59 14.057 -4.977 -1.330 1.00 0.00 C ATOM 947 OE1 GLU A 59 14.559 -6.062 -1.572 1.00 0.00 O ATOM 948 OE2 GLU A 59 14.092 -4.438 -0.236 1.00 0.00 O ATOM 0 H GLU A 59 11.493 -6.717 -5.071 1.00 0.00 H new ATOM 0 HA GLU A 59 11.912 -3.738 -4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.460 -5.280 -2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.859 -6.228 -3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 59 14.072 -3.818 -3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.755 -3.418 -2.071 1.00 0.00 H new ATOM 955 N ASP A 60 14.059 -3.716 -5.912 1.00 0.00 N ATOM 956 CA ASP A 60 15.378 -3.690 -6.613 1.00 0.00 C ATOM 957 C ASP A 60 16.342 -2.734 -5.900 1.00 0.00 C ATOM 958 O ASP A 60 16.736 -1.718 -6.442 1.00 0.00 O ATOM 959 CB ASP A 60 15.069 -3.203 -8.036 1.00 0.00 C ATOM 960 CG ASP A 60 14.484 -1.781 -8.011 1.00 0.00 C ATOM 961 OD1 ASP A 60 13.995 -1.372 -6.970 1.00 0.00 O ATOM 962 OD2 ASP A 60 14.538 -1.126 -9.038 1.00 0.00 O ATOM 0 H ASP A 60 13.574 -2.820 -5.873 1.00 0.00 H new ATOM 0 HA ASP A 60 15.860 -4.667 -6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 60 15.979 -3.216 -8.636 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.363 -3.883 -8.513 1.00 0.00 H new ATOM 967 N VAL A 61 16.752 -3.075 -4.704 1.00 0.00 N ATOM 968 CA VAL A 61 17.727 -2.215 -3.966 1.00 0.00 C ATOM 969 C VAL A 61 19.047 -2.970 -3.760 1.00 0.00 C ATOM 970 O VAL A 61 19.061 -4.174 -3.588 1.00 0.00 O ATOM 971 CB VAL A 61 17.049 -1.908 -2.623 1.00 0.00 C ATOM 972 CG1 VAL A 61 16.765 -3.211 -1.868 1.00 0.00 C ATOM 973 CG2 VAL A 61 17.966 -1.020 -1.777 1.00 0.00 C ATOM 0 H VAL A 61 16.453 -3.913 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 61 17.973 -1.302 -4.508 1.00 0.00 H new ATOM 0 HB VAL A 61 16.108 -1.390 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 61 16.284 -2.983 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 61 16.107 -3.842 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 61 17.702 -3.737 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 61 17.484 -0.803 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 61 18.909 -1.537 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 61 18.159 -0.087 -2.307 1.00 0.00 H new ATOM 983 N GLY A 62 20.146 -2.261 -3.738 1.00 0.00 N ATOM 984 CA GLY A 62 21.464 -2.920 -3.498 1.00 0.00 C ATOM 985 C GLY A 62 21.853 -2.764 -2.027 1.00 0.00 C ATOM 986 O GLY A 62 23.014 -2.609 -1.698 1.00 0.00 O ATOM 0 H GLY A 62 20.187 -1.251 -3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 62 21.407 -3.977 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 62 22.227 -2.474 -4.136 1.00 0.00 H new ATOM 990 N HIS A 63 20.895 -2.847 -1.140 1.00 0.00 N ATOM 991 CA HIS A 63 21.204 -2.750 0.318 1.00 0.00 C ATOM 992 C HIS A 63 20.463 -3.845 1.090 1.00 0.00 C ATOM 993 O HIS A 63 19.257 -3.973 0.999 1.00 0.00 O ATOM 994 CB HIS A 63 20.705 -1.367 0.737 1.00 0.00 C ATOM 995 CG HIS A 63 21.275 -1.014 2.083 1.00 0.00 C ATOM 996 ND1 HIS A 63 22.630 -0.795 2.277 1.00 0.00 N ATOM 997 CD2 HIS A 63 20.689 -0.840 3.312 1.00 0.00 C ATOM 998 CE1 HIS A 63 22.812 -0.504 3.578 1.00 0.00 C ATOM 999 NE2 HIS A 63 21.661 -0.518 4.254 1.00 0.00 N ATOM 0 H HIS A 63 19.909 -2.978 -1.364 1.00 0.00 H new ATOM 0 HA HIS A 63 22.266 -2.880 0.525 1.00 0.00 H new ATOM 0 HB2 HIS A 63 21.002 -0.623 -0.002 1.00 0.00 H new ATOM 0 HB3 HIS A 63 19.616 -1.359 0.778 1.00 0.00 H new ATOM 0 HD2 HIS A 63 19.633 -0.938 3.517 1.00 0.00 H new ATOM 0 HE1 HIS A 63 23.772 -0.286 4.021 1.00 0.00 H new ATOM 0 HE2 HIS A 63 21.524 -0.333 5.248 1.00 0.00 H new ATOM 1007 N SER A 64 21.175 -4.615 1.880 1.00 0.00 N ATOM 1008 CA SER A 64 20.523 -5.685 2.706 1.00 0.00 C ATOM 1009 C SER A 64 19.655 -6.597 1.828 1.00 0.00 C ATOM 1010 O SER A 64 18.492 -6.326 1.598 1.00 0.00 O ATOM 1011 CB SER A 64 19.657 -4.943 3.727 1.00 0.00 C ATOM 1012 OG SER A 64 19.550 -5.725 4.909 1.00 0.00 O ATOM 0 H SER A 64 22.187 -4.548 1.989 1.00 0.00 H new ATOM 0 HA SER A 64 21.262 -6.325 3.189 1.00 0.00 H new ATOM 0 HB2 SER A 64 20.097 -3.973 3.958 1.00 0.00 H new ATOM 0 HB3 SER A 64 18.667 -4.753 3.312 1.00 0.00 H new ATOM 0 HG SER A 64 18.847 -6.398 4.793 1.00 0.00 H new ATOM 1018 N THR A 65 20.208 -7.692 1.371 1.00 0.00 N ATOM 1019 CA THR A 65 19.413 -8.649 0.544 1.00 0.00 C ATOM 1020 C THR A 65 18.579 -9.561 1.447 1.00 0.00 C ATOM 1021 O THR A 65 19.092 -10.480 2.058 1.00 0.00 O ATOM 1022 CB THR A 65 20.452 -9.463 -0.228 1.00 0.00 C ATOM 1023 OG1 THR A 65 21.486 -9.869 0.657 1.00 0.00 O ATOM 1024 CG2 THR A 65 21.044 -8.609 -1.350 1.00 0.00 C ATOM 0 H THR A 65 21.177 -7.965 1.535 1.00 0.00 H new ATOM 0 HA THR A 65 18.717 -8.140 -0.123 1.00 0.00 H new ATOM 0 HB THR A 65 19.976 -10.343 -0.659 1.00 0.00 H new ATOM 0 HG1 THR A 65 21.092 -10.188 1.496 1.00 0.00 H new ATOM 0 HG21 THR A 65 21.784 -9.191 -1.899 1.00 0.00 H new ATOM 0 HG22 THR A 65 20.250 -8.299 -2.029 1.00 0.00 H new ATOM 0 HG23 THR A 65 21.521 -7.727 -0.923 1.00 0.00 H new ATOM 1032 N ASP A 66 17.291 -9.337 1.502 1.00 0.00 N ATOM 1033 CA ASP A 66 16.406 -10.213 2.327 1.00 0.00 C ATOM 1034 C ASP A 66 15.244 -10.737 1.481 1.00 0.00 C ATOM 1035 O ASP A 66 15.058 -10.332 0.348 1.00 0.00 O ATOM 1036 CB ASP A 66 15.889 -9.311 3.448 1.00 0.00 C ATOM 1037 CG ASP A 66 17.066 -8.829 4.299 1.00 0.00 C ATOM 1038 OD1 ASP A 66 17.685 -9.659 4.944 1.00 0.00 O ATOM 1039 OD2 ASP A 66 17.329 -7.637 4.290 1.00 0.00 O ATOM 0 H ASP A 66 16.813 -8.583 1.009 1.00 0.00 H new ATOM 0 HA ASP A 66 16.934 -11.084 2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.358 -8.458 3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.177 -9.855 4.068 1.00 0.00 H new ATOM 1044 N ALA A 67 14.438 -11.606 2.037 1.00 0.00 N ATOM 1045 CA ALA A 67 13.257 -12.130 1.288 1.00 0.00 C ATOM 1046 C ALA A 67 12.045 -11.219 1.508 1.00 0.00 C ATOM 1047 O ALA A 67 11.575 -10.568 0.594 1.00 0.00 O ATOM 1048 CB ALA A 67 12.999 -13.517 1.873 1.00 0.00 C ATOM 0 H ALA A 67 14.548 -11.976 2.981 1.00 0.00 H new ATOM 0 HA ALA A 67 13.434 -12.169 0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.143 -13.969 1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 67 13.879 -14.144 1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 67 12.791 -13.429 2.939 1.00 0.00 H new ATOM 1054 N ARG A 68 11.564 -11.142 2.723 1.00 0.00 N ATOM 1055 CA ARG A 68 10.408 -10.242 3.022 1.00 0.00 C ATOM 1056 C ARG A 68 10.843 -8.775 2.934 1.00 0.00 C ATOM 1057 O ARG A 68 11.984 -8.441 3.192 1.00 0.00 O ATOM 1058 CB ARG A 68 9.970 -10.594 4.449 1.00 0.00 C ATOM 1059 CG ARG A 68 11.137 -10.399 5.424 1.00 0.00 C ATOM 1060 CD ARG A 68 10.592 -10.226 6.845 1.00 0.00 C ATOM 1061 NE ARG A 68 11.800 -10.222 7.724 1.00 0.00 N ATOM 1062 CZ ARG A 68 12.425 -11.339 8.039 1.00 0.00 C ATOM 1063 NH1 ARG A 68 12.042 -12.501 7.559 1.00 0.00 N ATOM 1064 NH2 ARG A 68 13.451 -11.290 8.846 1.00 0.00 N ATOM 0 H ARG A 68 11.922 -11.664 3.522 1.00 0.00 H new ATOM 0 HA ARG A 68 9.593 -10.375 2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 68 9.130 -9.965 4.745 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.624 -11.627 4.487 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.807 -11.258 5.382 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.721 -9.524 5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.030 -9.297 6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.914 -11.038 7.109 1.00 0.00 H new ATOM 0 HE ARG A 68 12.149 -9.335 8.088 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.243 -12.553 6.927 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.543 -13.350 7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.760 -10.395 9.225 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.943 -12.147 9.098 1.00 0.00 H new ATOM 1078 N GLU A 69 9.928 -7.896 2.610 1.00 0.00 N ATOM 1079 CA GLU A 69 10.266 -6.442 2.549 1.00 0.00 C ATOM 1080 C GLU A 69 9.822 -5.741 3.835 1.00 0.00 C ATOM 1081 O GLU A 69 9.476 -6.380 4.811 1.00 0.00 O ATOM 1082 CB GLU A 69 9.486 -5.905 1.348 1.00 0.00 C ATOM 1083 CG GLU A 69 9.968 -6.600 0.073 1.00 0.00 C ATOM 1084 CD GLU A 69 11.361 -6.086 -0.293 1.00 0.00 C ATOM 1085 OE1 GLU A 69 11.611 -4.910 -0.087 1.00 0.00 O ATOM 1086 OE2 GLU A 69 12.155 -6.878 -0.774 1.00 0.00 O ATOM 0 H GLU A 69 8.960 -8.124 2.385 1.00 0.00 H new ATOM 0 HA GLU A 69 11.338 -6.271 2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.419 -6.078 1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.626 -4.827 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.995 -7.679 0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.272 -6.408 -0.744 1.00 0.00 H new ATOM 1093 N LEU A 70 9.791 -4.432 3.827 1.00 0.00 N ATOM 1094 CA LEU A 70 9.322 -3.677 5.030 1.00 0.00 C ATOM 1095 C LEU A 70 7.809 -3.419 4.961 1.00 0.00 C ATOM 1096 O LEU A 70 7.295 -2.555 5.646 1.00 0.00 O ATOM 1097 CB LEU A 70 10.100 -2.351 4.999 1.00 0.00 C ATOM 1098 CG LEU A 70 10.835 -2.126 6.330 1.00 0.00 C ATOM 1099 CD1 LEU A 70 9.829 -2.088 7.486 1.00 0.00 C ATOM 1100 CD2 LEU A 70 11.840 -3.260 6.563 1.00 0.00 C ATOM 0 H LEU A 70 10.071 -3.851 3.037 1.00 0.00 H new ATOM 0 HA LEU A 70 9.497 -4.234 5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.817 -2.363 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.414 -1.525 4.811 1.00 0.00 H new ATOM 0 HG LEU A 70 11.364 -1.174 6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.359 -1.928 8.425 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.121 -1.275 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.290 -3.034 7.530 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.359 -3.098 7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.312 -4.213 6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.564 -3.277 5.749 1.00 0.00 H new ATOM 1112 N SER A 71 7.088 -4.177 4.168 1.00 0.00 N ATOM 1113 CA SER A 71 5.607 -3.992 4.094 1.00 0.00 C ATOM 1114 C SER A 71 4.933 -4.618 5.320 1.00 0.00 C ATOM 1115 O SER A 71 4.285 -5.643 5.227 1.00 0.00 O ATOM 1116 CB SER A 71 5.179 -4.713 2.815 1.00 0.00 C ATOM 1117 OG SER A 71 5.513 -6.091 2.918 1.00 0.00 O ATOM 0 H SER A 71 7.463 -4.914 3.571 1.00 0.00 H new ATOM 0 HA SER A 71 5.322 -2.940 4.080 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.106 -4.598 2.661 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.675 -4.270 1.951 1.00 0.00 H new ATOM 0 HG SER A 71 5.066 -6.478 3.699 1.00 0.00 H new ATOM 1123 N LYS A 72 5.052 -3.983 6.459 1.00 0.00 N ATOM 1124 CA LYS A 72 4.385 -4.507 7.688 1.00 0.00 C ATOM 1125 C LYS A 72 4.431 -3.459 8.804 1.00 0.00 C ATOM 1126 O LYS A 72 3.462 -3.249 9.509 1.00 0.00 O ATOM 1127 CB LYS A 72 5.194 -5.744 8.083 1.00 0.00 C ATOM 1128 CG LYS A 72 4.320 -6.680 8.921 1.00 0.00 C ATOM 1129 CD LYS A 72 4.403 -6.275 10.393 1.00 0.00 C ATOM 1130 CE LYS A 72 4.106 -7.489 11.275 1.00 0.00 C ATOM 1131 NZ LYS A 72 4.416 -7.044 12.661 1.00 0.00 N ATOM 0 H LYS A 72 5.584 -3.122 6.590 1.00 0.00 H new ATOM 0 HA LYS A 72 3.335 -4.744 7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.547 -6.261 7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.077 -5.448 8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.286 -6.634 8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.651 -7.711 8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.395 -5.883 10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.690 -5.477 10.602 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.065 -7.798 11.183 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.719 -8.344 10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.236 -7.824 13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.415 -6.763 12.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.813 -6.234 12.908 1.00 0.00 H new ATOM 1145 N THR A 73 5.542 -2.783 8.948 1.00 0.00 N ATOM 1146 CA THR A 73 5.650 -1.721 9.994 1.00 0.00 C ATOM 1147 C THR A 73 5.459 -0.335 9.372 1.00 0.00 C ATOM 1148 O THR A 73 5.003 0.587 10.023 1.00 0.00 O ATOM 1149 CB THR A 73 7.063 -1.865 10.560 1.00 0.00 C ATOM 1150 OG1 THR A 73 8.008 -1.723 9.508 1.00 0.00 O ATOM 1151 CG2 THR A 73 7.220 -3.243 11.205 1.00 0.00 C ATOM 0 H THR A 73 6.381 -2.921 8.385 1.00 0.00 H new ATOM 0 HA THR A 73 4.887 -1.826 10.766 1.00 0.00 H new ATOM 0 HB THR A 73 7.234 -1.094 11.311 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.838 -1.341 9.863 1.00 0.00 H new ATOM 0 HG21 THR A 73 8.228 -3.344 11.608 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.495 -3.352 12.011 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.050 -4.017 10.456 1.00 0.00 H new ATOM 1159 N TYR A 74 5.780 -0.189 8.111 1.00 0.00 N ATOM 1160 CA TYR A 74 5.589 1.128 7.431 1.00 0.00 C ATOM 1161 C TYR A 74 4.199 1.199 6.791 1.00 0.00 C ATOM 1162 O TYR A 74 4.053 1.599 5.650 1.00 0.00 O ATOM 1163 CB TYR A 74 6.677 1.182 6.356 1.00 0.00 C ATOM 1164 CG TYR A 74 7.992 1.594 6.981 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.067 2.759 7.754 1.00 0.00 C ATOM 1166 CD2 TYR A 74 9.135 0.809 6.784 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.286 3.140 8.330 1.00 0.00 C ATOM 1168 CE2 TYR A 74 10.352 1.190 7.360 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.428 2.354 8.132 1.00 0.00 C ATOM 1170 OH TYR A 74 11.628 2.729 8.701 1.00 0.00 O ATOM 0 H TYR A 74 6.167 -0.927 7.522 1.00 0.00 H new ATOM 0 HA TYR A 74 5.661 1.964 8.127 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.780 0.207 5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.396 1.890 5.576 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.185 3.364 7.906 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.077 -0.090 6.188 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.345 4.039 8.926 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.234 0.585 7.208 1.00 0.00 H new ATOM 0 HH TYR A 74 12.335 2.700 8.023 1.00 0.00 H new ATOM 1180 N ILE A 75 3.175 0.856 7.532 1.00 0.00 N ATOM 1181 CA ILE A 75 1.786 0.948 6.986 1.00 0.00 C ATOM 1182 C ILE A 75 0.998 2.023 7.742 1.00 0.00 C ATOM 1183 O ILE A 75 1.415 2.490 8.786 1.00 0.00 O ATOM 1184 CB ILE A 75 1.165 -0.434 7.212 1.00 0.00 C ATOM 1185 CG1 ILE A 75 2.017 -1.505 6.525 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.244 -0.461 6.616 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.544 -2.893 6.961 1.00 0.00 C ATOM 0 H ILE A 75 3.241 0.516 8.491 1.00 0.00 H new ATOM 0 HA ILE A 75 1.776 1.223 5.931 1.00 0.00 H new ATOM 0 HB ILE A 75 1.121 -0.635 8.282 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.940 -1.407 5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.067 -1.370 6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.688 -1.444 6.776 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.859 0.298 7.100 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.191 -0.256 5.547 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.151 -3.655 6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.644 -2.989 8.042 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.499 -3.026 6.680 1.00 0.00 H new ATOM 1199 N ILE A 76 -0.140 2.414 7.224 1.00 0.00 N ATOM 1200 CA ILE A 76 -0.964 3.457 7.913 1.00 0.00 C ATOM 1201 C ILE A 76 -2.396 2.960 8.151 1.00 0.00 C ATOM 1202 O ILE A 76 -3.010 3.287 9.150 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.958 4.666 6.969 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.508 4.262 5.592 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.477 5.174 6.815 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.587 5.492 4.684 1.00 0.00 C ATOM 0 H ILE A 76 -0.535 2.057 6.354 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.560 3.705 8.895 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.588 5.452 7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.865 3.506 5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.496 3.815 5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.489 6.034 6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.865 5.468 7.790 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.101 4.382 6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.977 5.200 3.709 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.248 6.233 5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.592 5.919 4.563 1.00 0.00 H new ATOM 1218 N GLY A 77 -2.929 2.171 7.251 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.316 1.648 7.435 1.00 0.00 C ATOM 1220 C GLY A 77 -4.695 0.770 6.243 1.00 0.00 C ATOM 1221 O GLY A 77 -3.842 0.221 5.571 1.00 0.00 O ATOM 0 H GLY A 77 -2.462 1.867 6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.379 1.072 8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.019 2.476 7.527 1.00 0.00 H new ATOM 1225 N GLU A 78 -5.967 0.676 5.947 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.407 -0.119 4.763 1.00 0.00 C ATOM 1227 C GLU A 78 -7.145 0.781 3.769 1.00 0.00 C ATOM 1228 O GLU A 78 -7.208 1.985 3.939 1.00 0.00 O ATOM 1229 CB GLU A 78 -7.356 -1.183 5.323 1.00 0.00 C ATOM 1230 CG GLU A 78 -6.636 -2.534 5.396 1.00 0.00 C ATOM 1231 CD GLU A 78 -7.629 -3.659 5.103 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -8.717 -3.621 5.655 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -7.285 -4.542 4.334 1.00 0.00 O ATOM 0 H GLU A 78 -6.720 1.117 6.476 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.565 -0.563 4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.701 -0.890 6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.239 -1.265 4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.817 -2.561 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.197 -2.671 6.384 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.752 0.198 2.766 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.547 1.006 1.794 1.00 0.00 C ATOM 1242 C LEU A 79 -10.042 0.727 1.974 1.00 0.00 C ATOM 1243 O LEU A 79 -10.439 -0.374 2.304 1.00 0.00 O ATOM 1244 CB LEU A 79 -8.075 0.545 0.413 1.00 0.00 C ATOM 1245 CG LEU A 79 -8.795 1.354 -0.678 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -7.792 1.780 -1.754 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -9.892 0.494 -1.317 1.00 0.00 C ATOM 0 H LEU A 79 -7.731 -0.804 2.579 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.405 2.078 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.997 0.676 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.278 -0.518 0.285 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.242 2.241 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.307 2.353 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.014 2.396 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.340 0.895 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.401 1.069 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.445 -0.395 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.611 0.196 -0.554 1.00 0.00 H new ATOM 1259 N HIS A 80 -10.872 1.707 1.717 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.348 1.492 1.824 1.00 0.00 C ATOM 1261 C HIS A 80 -12.794 0.398 0.835 1.00 0.00 C ATOM 1262 O HIS A 80 -12.650 0.568 -0.359 1.00 0.00 O ATOM 1263 CB HIS A 80 -12.978 2.835 1.450 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.298 2.985 2.155 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.296 2.026 2.066 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -14.800 3.974 2.963 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.338 2.455 2.802 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -16.088 3.637 3.371 1.00 0.00 N ATOM 0 H HIS A 80 -10.591 2.647 1.438 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.645 1.168 2.821 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.311 3.651 1.727 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.121 2.893 0.371 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.276 4.877 3.240 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.263 1.910 2.918 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.708 4.177 3.975 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.321 -0.699 1.349 1.00 0.00 N ATOM 1277 CA PRO A 81 -13.776 -1.811 0.463 1.00 0.00 C ATOM 1278 C PRO A 81 -14.735 -1.301 -0.622 1.00 0.00 C ATOM 1279 O PRO A 81 -14.863 -1.899 -1.674 1.00 0.00 O ATOM 1280 CB PRO A 81 -14.503 -2.757 1.415 1.00 0.00 C ATOM 1281 CG PRO A 81 -13.914 -2.478 2.759 1.00 0.00 C ATOM 1282 CD PRO A 81 -13.539 -1.021 2.771 1.00 0.00 C ATOM 0 HA PRO A 81 -12.950 -2.285 -0.067 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.578 -2.574 1.409 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -14.355 -3.798 1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.631 -2.700 3.550 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.040 -3.104 2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.331 -0.408 3.203 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.641 -0.845 3.363 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.393 -0.191 -0.382 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.331 0.374 -1.408 1.00 0.00 C ATOM 1292 C ASP A 82 -15.613 0.575 -2.748 1.00 0.00 C ATOM 1293 O ASP A 82 -16.115 0.196 -3.790 1.00 0.00 O ATOM 1294 CB ASP A 82 -16.786 1.720 -0.839 1.00 0.00 C ATOM 1295 CG ASP A 82 -17.877 2.310 -1.734 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -19.032 1.977 -1.523 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -17.540 3.084 -2.614 1.00 0.00 O ATOM 0 H ASP A 82 -15.322 0.349 0.480 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.170 -0.294 -1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.164 1.589 0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.941 2.405 -0.778 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.416 1.106 -2.717 1.00 0.00 N ATOM 1303 CA ASP A 83 -13.631 1.262 -3.977 1.00 0.00 C ATOM 1304 C ASP A 83 -12.984 -0.073 -4.354 1.00 0.00 C ATOM 1305 O ASP A 83 -12.812 -0.381 -5.519 1.00 0.00 O ATOM 1306 CB ASP A 83 -12.562 2.305 -3.654 1.00 0.00 C ATOM 1307 CG ASP A 83 -13.105 3.703 -3.960 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -13.518 3.923 -5.088 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -13.099 4.529 -3.063 1.00 0.00 O ATOM 0 H ASP A 83 -13.950 1.438 -1.873 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.252 1.568 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.276 2.236 -2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.664 2.115 -4.242 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.688 -0.893 -3.377 1.00 0.00 N ATOM 1315 CA ARG A 84 -12.122 -2.244 -3.674 1.00 0.00 C ATOM 1316 C ARG A 84 -13.132 -3.066 -4.482 1.00 0.00 C ATOM 1317 O ARG A 84 -14.024 -2.523 -5.106 1.00 0.00 O ATOM 1318 CB ARG A 84 -11.873 -2.888 -2.306 1.00 0.00 C ATOM 1319 CG ARG A 84 -10.622 -3.767 -2.375 1.00 0.00 C ATOM 1320 CD ARG A 84 -9.400 -2.953 -1.936 1.00 0.00 C ATOM 1321 NE ARG A 84 -8.823 -2.392 -3.201 1.00 0.00 N ATOM 1322 CZ ARG A 84 -7.749 -1.629 -3.184 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -7.162 -1.291 -2.059 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -7.256 -1.198 -4.313 1.00 0.00 N ATOM 0 H ARG A 84 -12.814 -0.685 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 84 -11.207 -2.189 -4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -11.747 -2.116 -1.547 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -12.735 -3.487 -2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.741 -4.639 -1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.480 -4.137 -3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.684 -2.158 -1.247 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.675 -3.580 -1.417 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.271 -2.605 -4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.536 -1.621 -1.169 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.332 -0.699 -2.075 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.702 -1.453 -5.194 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.425 -0.607 -4.314 1.00 0.00 H new ATOM 1338 N SER A 85 -13.021 -4.370 -4.442 1.00 0.00 N ATOM 1339 CA SER A 85 -14.000 -5.232 -5.171 1.00 0.00 C ATOM 1340 C SER A 85 -15.185 -5.580 -4.264 1.00 0.00 C ATOM 1341 O SER A 85 -15.116 -6.498 -3.468 1.00 0.00 O ATOM 1342 CB SER A 85 -13.219 -6.493 -5.538 1.00 0.00 C ATOM 1343 OG SER A 85 -14.081 -7.401 -6.210 1.00 0.00 O ATOM 0 H SER A 85 -12.294 -4.875 -3.935 1.00 0.00 H new ATOM 0 HA SER A 85 -14.411 -4.735 -6.049 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.373 -6.238 -6.176 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.812 -6.957 -4.639 1.00 0.00 H new ATOM 0 HG SER A 85 -13.582 -8.210 -6.448 1.00 0.00 H new ATOM 1349 N LYS A 86 -16.288 -4.892 -4.423 1.00 0.00 N ATOM 1350 CA LYS A 86 -17.505 -5.224 -3.620 1.00 0.00 C ATOM 1351 C LYS A 86 -18.769 -5.122 -4.487 1.00 0.00 C ATOM 1352 O LYS A 86 -19.867 -5.001 -3.979 1.00 0.00 O ATOM 1353 CB LYS A 86 -17.537 -4.188 -2.489 1.00 0.00 C ATOM 1354 CG LYS A 86 -17.610 -2.768 -3.072 1.00 0.00 C ATOM 1355 CD LYS A 86 -19.018 -2.198 -2.879 1.00 0.00 C ATOM 1356 CE LYS A 86 -19.108 -0.824 -3.548 1.00 0.00 C ATOM 1357 NZ LYS A 86 -20.561 -0.496 -3.557 1.00 0.00 N ATOM 0 H LYS A 86 -16.398 -4.115 -5.074 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.473 -6.243 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -18.397 -4.369 -1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.647 -4.289 -1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.878 -2.126 -2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.358 -2.787 -4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.757 -2.873 -3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.245 -2.113 -1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -18.538 -0.077 -2.995 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -18.703 -0.850 -4.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -20.792 0.031 -4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -21.116 -1.375 -3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -20.791 0.085 -2.726 1.00 0.00 H new ATOM 1371 N ILE A 87 -18.625 -5.219 -5.786 1.00 0.00 N ATOM 1372 CA ILE A 87 -19.819 -5.180 -6.684 1.00 0.00 C ATOM 1373 C ILE A 87 -19.581 -6.054 -7.921 1.00 0.00 C ATOM 1374 O ILE A 87 -19.939 -5.689 -9.025 1.00 0.00 O ATOM 1375 CB ILE A 87 -20.015 -3.702 -7.079 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -18.828 -3.186 -7.937 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -20.186 -2.842 -5.820 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -17.540 -3.014 -7.109 1.00 0.00 C ATOM 0 H ILE A 87 -17.730 -5.324 -6.263 1.00 0.00 H new ATOM 0 HA ILE A 87 -20.708 -5.569 -6.187 1.00 0.00 H new ATOM 0 HB ILE A 87 -20.918 -3.626 -7.685 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -18.642 -3.884 -8.753 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -19.097 -2.231 -8.389 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -20.324 -1.800 -6.107 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -21.058 -3.183 -5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -19.298 -2.932 -5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -16.739 -2.651 -7.753 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -17.715 -2.295 -6.309 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -17.253 -3.974 -6.679 1.00 0.00 H new ATOM 1390 N ALA A 88 -19.022 -7.223 -7.733 1.00 0.00 N ATOM 1391 CA ALA A 88 -18.806 -8.152 -8.884 1.00 0.00 C ATOM 1392 C ALA A 88 -20.008 -9.091 -9.067 1.00 0.00 C ATOM 1393 O ALA A 88 -19.897 -10.131 -9.689 1.00 0.00 O ATOM 1394 CB ALA A 88 -17.557 -8.953 -8.512 1.00 0.00 C ATOM 0 H ALA A 88 -18.705 -7.575 -6.830 1.00 0.00 H new ATOM 0 HA ALA A 88 -18.690 -7.612 -9.824 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -17.329 -9.662 -9.308 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.715 -8.273 -8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -17.736 -9.496 -7.584 1.00 0.00 H new ATOM 1400 N LYS A 89 -21.165 -8.720 -8.565 1.00 0.00 N ATOM 1401 CA LYS A 89 -22.389 -9.570 -8.742 1.00 0.00 C ATOM 1402 C LYS A 89 -22.121 -11.016 -8.277 1.00 0.00 C ATOM 1403 O LYS A 89 -22.185 -11.938 -9.067 1.00 0.00 O ATOM 1404 CB LYS A 89 -22.696 -9.531 -10.244 1.00 0.00 C ATOM 1405 CG LYS A 89 -23.404 -8.219 -10.587 1.00 0.00 C ATOM 1406 CD LYS A 89 -24.294 -8.423 -11.813 1.00 0.00 C ATOM 1407 CE LYS A 89 -23.420 -8.708 -13.037 1.00 0.00 C ATOM 1408 NZ LYS A 89 -23.264 -7.390 -13.713 1.00 0.00 N ATOM 0 H LYS A 89 -21.314 -7.860 -8.037 1.00 0.00 H new ATOM 0 HA LYS A 89 -23.226 -9.203 -8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -21.773 -9.619 -10.817 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -23.324 -10.378 -10.520 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -24.004 -7.886 -9.740 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -22.669 -7.438 -10.784 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -24.981 -9.252 -11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -24.902 -7.535 -11.986 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -22.454 -9.119 -12.745 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -23.890 -9.437 -13.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.676 -7.503 -14.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -24.200 -7.027 -13.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -22.808 -6.718 -13.063 1.00 0.00 H new ATOM 1422 N PRO A 90 -21.827 -11.175 -6.999 1.00 0.00 N ATOM 1423 CA PRO A 90 -21.551 -12.531 -6.444 1.00 0.00 C ATOM 1424 C PRO A 90 -22.690 -13.504 -6.778 1.00 0.00 C ATOM 1425 O PRO A 90 -22.494 -14.488 -7.464 1.00 0.00 O ATOM 1426 CB PRO A 90 -21.476 -12.294 -4.937 1.00 0.00 C ATOM 1427 CG PRO A 90 -21.106 -10.854 -4.793 1.00 0.00 C ATOM 1428 CD PRO A 90 -21.717 -10.132 -5.964 1.00 0.00 C ATOM 0 HA PRO A 90 -20.644 -12.976 -6.854 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -22.430 -12.507 -4.456 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -20.733 -12.941 -4.472 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -21.479 -10.451 -3.852 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -20.023 -10.731 -4.785 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -22.691 -9.713 -5.712 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -21.090 -9.304 -6.295 1.00 0.00 H new ATOM 1436 N SER A 91 -23.883 -13.208 -6.326 1.00 0.00 N ATOM 1437 CA SER A 91 -25.050 -14.084 -6.647 1.00 0.00 C ATOM 1438 C SER A 91 -26.326 -13.245 -6.758 1.00 0.00 C ATOM 1439 O SER A 91 -26.273 -12.042 -6.928 1.00 0.00 O ATOM 1440 CB SER A 91 -25.148 -15.057 -5.474 1.00 0.00 C ATOM 1441 OG SER A 91 -23.852 -15.551 -5.163 1.00 0.00 O ATOM 0 H SER A 91 -24.099 -12.396 -5.748 1.00 0.00 H new ATOM 0 HA SER A 91 -24.928 -14.603 -7.598 1.00 0.00 H new ATOM 0 HB2 SER A 91 -25.577 -14.556 -4.606 1.00 0.00 H new ATOM 0 HB3 SER A 91 -25.813 -15.883 -5.726 1.00 0.00 H new ATOM 0 HG SER A 91 -23.912 -16.175 -4.409 1.00 0.00 H new ATOM 1447 N GLU A 92 -27.469 -13.869 -6.625 1.00 0.00 N ATOM 1448 CA GLU A 92 -28.754 -13.110 -6.678 1.00 0.00 C ATOM 1449 C GLU A 92 -29.707 -13.605 -5.587 1.00 0.00 C ATOM 1450 O GLU A 92 -30.323 -14.647 -5.718 1.00 0.00 O ATOM 1451 CB GLU A 92 -29.328 -13.400 -8.065 1.00 0.00 C ATOM 1452 CG GLU A 92 -30.039 -12.154 -8.595 1.00 0.00 C ATOM 1453 CD GLU A 92 -29.983 -12.144 -10.124 1.00 0.00 C ATOM 1454 OE1 GLU A 92 -28.886 -12.078 -10.656 1.00 0.00 O ATOM 1455 OE2 GLU A 92 -31.035 -12.203 -10.737 1.00 0.00 O ATOM 0 H GLU A 92 -27.567 -14.874 -6.482 1.00 0.00 H new ATOM 0 HA GLU A 92 -28.610 -12.042 -6.512 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -28.529 -13.693 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -30.026 -14.236 -8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -31.076 -12.144 -8.259 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -29.566 -11.256 -8.198 1.00 0.00 H new ATOM 1462 N THR A 93 -29.860 -12.846 -4.532 1.00 0.00 N ATOM 1463 CA THR A 93 -30.806 -13.244 -3.446 1.00 0.00 C ATOM 1464 C THR A 93 -31.336 -12.001 -2.727 1.00 0.00 C ATOM 1465 O THR A 93 -30.644 -11.008 -2.595 1.00 0.00 O ATOM 1466 CB THR A 93 -29.976 -14.104 -2.493 1.00 0.00 C ATOM 1467 OG1 THR A 93 -28.796 -13.401 -2.129 1.00 0.00 O ATOM 1468 CG2 THR A 93 -29.599 -15.416 -3.182 1.00 0.00 C ATOM 0 H THR A 93 -29.369 -11.966 -4.376 1.00 0.00 H new ATOM 0 HA THR A 93 -31.673 -13.783 -3.829 1.00 0.00 H new ATOM 0 HB THR A 93 -30.560 -14.322 -1.599 1.00 0.00 H new ATOM 0 HG1 THR A 93 -28.264 -13.950 -1.517 1.00 0.00 H new ATOM 0 HG21 THR A 93 -29.007 -16.028 -2.501 1.00 0.00 H new ATOM 0 HG22 THR A 93 -30.505 -15.955 -3.459 1.00 0.00 H new ATOM 0 HG23 THR A 93 -29.016 -15.202 -4.077 1.00 0.00 H new ATOM 1476 N LEU A 94 -32.543 -12.066 -2.226 1.00 0.00 N ATOM 1477 CA LEU A 94 -33.112 -10.909 -1.471 1.00 0.00 C ATOM 1478 C LEU A 94 -32.711 -10.992 0.005 1.00 0.00 C ATOM 1479 O LEU A 94 -31.810 -11.755 0.311 1.00 0.00 O ATOM 1480 CB LEU A 94 -34.632 -11.042 -1.625 1.00 0.00 C ATOM 1481 CG LEU A 94 -35.155 -10.046 -2.674 1.00 0.00 C ATOM 1482 CD1 LEU A 94 -34.838 -8.613 -2.239 1.00 0.00 C ATOM 1483 CD2 LEU A 94 -34.496 -10.327 -4.030 1.00 0.00 C ATOM 1484 OXT LEU A 94 -33.311 -10.291 0.801 1.00 0.00 O ATOM 0 H LEU A 94 -33.161 -12.873 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 94 -32.748 -9.952 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -34.886 -12.059 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -35.118 -10.859 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 94 -36.235 -10.163 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -35.212 -7.914 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -35.317 -8.409 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -33.759 -8.494 -2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -34.870 -9.619 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -33.415 -10.220 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -34.734 -11.342 -4.347 1.00 0.00 H new TER 1496 LEU A 94