USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 712 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 54 SER OG : rot 180:sc= 0.919 USER MOD Set 1.2: A 76 SER OG : rot 144:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.263 (180deg=-2.99!) USER MOD Single : A 3 HIS : no HD1:sc= -0.0268 K(o=-0.027,f=-0.92) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 12 MET CE :methyl -175:sc= 0 (180deg=-0.00512) USER MOD Single : A 14 THR OG1 : rot 67:sc= 0.376 USER MOD Single : A 15 SER OG : rot -36:sc= 0.464 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.229 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.937! K(o=-0.94!,f=-1.8) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 50 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.57) USER MOD Single : A 55 GLN : amide:sc= -0.313 K(o=-0.31,f=-1.1) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 160:sc= -0.0646 (180deg=-0.571) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 66 GLN :FLIP amide:sc= -1.79 F(o=-4.6!,f=-1.8) USER MOD Single : A 68 SER OG : rot 179:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.3! C(o=-1.3!,f=-6.1!) USER MOD Single : A 72 SER OG : rot -37:sc= 0.72 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.925 K(o=-0.93,f=-2.2) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 87 HIS : no HE2:sc= -0.0938 K(o=-0.094,f=-0.86) USER MOD Single : A 88 HIS : no HD1:sc=-0.00166 X(o=-0.0017,f=-0.0017) USER MOD Single : A 89 HIS : no HD1:sc= -1.96 K(o=-2,f=-3.4) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.0699 X(o=-0.07,f=-0.44) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.089 -22.455 -6.540 1.00 0.00 N ATOM 2 CA MET A 1 -10.863 -22.136 -7.329 1.00 0.00 C ATOM 3 C MET A 1 -10.116 -20.973 -6.653 1.00 0.00 C ATOM 4 O MET A 1 -10.181 -19.848 -7.109 1.00 0.00 O ATOM 5 CB MET A 1 -11.260 -21.746 -8.768 1.00 0.00 C ATOM 6 CG MET A 1 -12.505 -20.839 -8.752 1.00 0.00 C ATOM 7 SD MET A 1 -13.989 -21.855 -8.530 1.00 0.00 S ATOM 8 CE MET A 1 -15.105 -20.527 -8.014 1.00 0.00 C ATOM 0 H1 MET A 1 -12.895 -22.579 -7.186 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.937 -23.332 -6.003 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.290 -21.676 -5.881 1.00 0.00 H new ATOM 0 HA MET A 1 -10.211 -23.009 -7.368 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.432 -21.230 -9.254 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.463 -22.643 -9.352 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.427 -20.110 -7.946 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.571 -20.278 -9.684 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.096 -20.939 -7.821 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.722 -20.062 -7.105 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.170 -19.779 -8.804 1.00 0.00 H new ATOM 20 N PRO A 2 -9.410 -21.239 -5.575 1.00 0.00 N ATOM 21 CA PRO A 2 -8.638 -20.188 -4.838 1.00 0.00 C ATOM 22 C PRO A 2 -7.539 -19.555 -5.711 1.00 0.00 C ATOM 23 O PRO A 2 -6.934 -20.210 -6.537 1.00 0.00 O ATOM 24 CB PRO A 2 -8.028 -20.947 -3.630 1.00 0.00 C ATOM 25 CG PRO A 2 -8.846 -22.202 -3.504 1.00 0.00 C ATOM 26 CD PRO A 2 -9.265 -22.557 -4.932 1.00 0.00 C ATOM 0 HA PRO A 2 -9.271 -19.353 -4.538 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.976 -21.177 -3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.081 -20.349 -2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.265 -23.006 -3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.716 -22.042 -2.867 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.514 -23.169 -5.432 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.199 -23.119 -4.950 1.00 0.00 H new ATOM 34 N HIS A 3 -7.275 -18.289 -5.522 1.00 0.00 N ATOM 35 CA HIS A 3 -6.212 -17.606 -6.325 1.00 0.00 C ATOM 36 C HIS A 3 -5.763 -16.338 -5.599 1.00 0.00 C ATOM 37 O HIS A 3 -4.592 -16.011 -5.563 1.00 0.00 O ATOM 38 CB HIS A 3 -6.765 -17.234 -7.709 1.00 0.00 C ATOM 39 CG HIS A 3 -5.652 -16.679 -8.558 1.00 0.00 C ATOM 40 ND1 HIS A 3 -5.329 -15.330 -8.569 1.00 0.00 N ATOM 41 CD2 HIS A 3 -4.774 -17.282 -9.423 1.00 0.00 C ATOM 42 CE1 HIS A 3 -4.295 -15.169 -9.414 1.00 0.00 C ATOM 43 NE2 HIS A 3 -3.917 -16.326 -9.961 1.00 0.00 N ATOM 0 H HIS A 3 -7.751 -17.694 -4.844 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.363 -18.279 -6.446 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.200 -18.112 -8.187 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -7.563 -16.498 -7.609 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.751 -18.337 -9.652 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.827 -14.218 -9.624 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.162 -16.477 -10.630 1.00 0.00 H new ATOM 51 N LYS A 4 -6.685 -15.618 -5.017 1.00 0.00 N ATOM 52 CA LYS A 4 -6.318 -14.367 -4.288 1.00 0.00 C ATOM 53 C LYS A 4 -7.446 -13.985 -3.320 1.00 0.00 C ATOM 54 O LYS A 4 -7.997 -12.904 -3.388 1.00 0.00 O ATOM 55 CB LYS A 4 -6.086 -13.232 -5.299 1.00 0.00 C ATOM 56 CG LYS A 4 -7.245 -13.179 -6.299 1.00 0.00 C ATOM 57 CD LYS A 4 -7.028 -12.014 -7.269 1.00 0.00 C ATOM 58 CE LYS A 4 -8.181 -11.964 -8.270 1.00 0.00 C ATOM 59 NZ LYS A 4 -7.980 -10.816 -9.202 1.00 0.00 N ATOM 0 H LYS A 4 -7.680 -15.843 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.402 -14.532 -3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.002 -12.279 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.146 -13.390 -5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.308 -14.118 -6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.190 -13.055 -5.771 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.969 -11.075 -6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.081 -12.136 -7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.231 -12.897 -8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.130 -11.857 -7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.764 -10.781 -9.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.953 -9.929 -8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.082 -10.937 -9.713 1.00 0.00 H new ATOM 73 N GLU A 5 -7.788 -14.861 -2.416 1.00 0.00 N ATOM 74 CA GLU A 5 -8.875 -14.555 -1.435 1.00 0.00 C ATOM 75 C GLU A 5 -8.568 -13.230 -0.726 1.00 0.00 C ATOM 76 O GLU A 5 -7.466 -12.729 -0.786 1.00 0.00 O ATOM 77 CB GLU A 5 -8.947 -15.679 -0.396 1.00 0.00 C ATOM 78 CG GLU A 5 -9.375 -16.990 -1.065 1.00 0.00 C ATOM 79 CD GLU A 5 -10.838 -16.906 -1.512 1.00 0.00 C ATOM 80 OE1 GLU A 5 -11.502 -15.951 -1.147 1.00 0.00 O ATOM 81 OE2 GLU A 5 -11.271 -17.806 -2.215 1.00 0.00 O ATOM 0 H GLU A 5 -7.361 -15.781 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.827 -14.475 -1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.975 -15.806 0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.656 -15.414 0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.736 -17.193 -1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.247 -17.820 -0.370 1.00 0.00 H new ATOM 88 N LYS A 6 -9.539 -12.657 -0.056 1.00 0.00 N ATOM 89 CA LYS A 6 -9.313 -11.357 0.662 1.00 0.00 C ATOM 90 C LYS A 6 -9.012 -11.616 2.143 1.00 0.00 C ATOM 91 O LYS A 6 -8.807 -10.700 2.914 1.00 0.00 O ATOM 92 CB LYS A 6 -10.572 -10.491 0.530 1.00 0.00 C ATOM 93 CG LYS A 6 -10.833 -10.200 -0.954 1.00 0.00 C ATOM 94 CD LYS A 6 -11.978 -9.183 -1.111 1.00 0.00 C ATOM 95 CE LYS A 6 -13.324 -9.791 -0.677 1.00 0.00 C ATOM 96 NZ LYS A 6 -14.438 -8.945 -1.197 1.00 0.00 N ATOM 0 H LYS A 6 -10.483 -13.034 0.026 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.461 -10.841 0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.428 -11.004 0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.445 -9.558 1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.927 -9.811 -1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.086 -11.125 -1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.766 -8.297 -0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.040 -8.859 -2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.416 -10.808 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.375 -9.852 0.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.349 -9.353 -0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.351 -7.982 -0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.391 -8.909 -2.235 1.00 0.00 H new ATOM 110 N HIS A 7 -8.994 -12.861 2.554 1.00 0.00 N ATOM 111 CA HIS A 7 -8.715 -13.187 3.994 1.00 0.00 C ATOM 112 C HIS A 7 -7.185 -13.234 4.241 1.00 0.00 C ATOM 113 O HIS A 7 -6.710 -12.722 5.235 1.00 0.00 O ATOM 114 CB HIS A 7 -9.384 -14.557 4.339 1.00 0.00 C ATOM 115 CG HIS A 7 -10.237 -14.459 5.584 1.00 0.00 C ATOM 116 ND1 HIS A 7 -11.383 -13.682 5.636 1.00 0.00 N ATOM 117 CD2 HIS A 7 -10.130 -15.053 6.817 1.00 0.00 C ATOM 118 CE1 HIS A 7 -11.918 -13.830 6.862 1.00 0.00 C ATOM 119 NE2 HIS A 7 -11.195 -14.655 7.622 1.00 0.00 N ATOM 0 H HIS A 7 -9.161 -13.670 1.955 1.00 0.00 H new ATOM 0 HA HIS A 7 -9.132 -12.415 4.641 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.999 -14.884 3.500 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -8.613 -15.314 4.484 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.341 -15.726 7.117 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.823 -13.340 7.191 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -11.382 -14.934 8.585 1.00 0.00 H new ATOM 127 N PRO A 8 -6.417 -13.849 3.358 1.00 0.00 N ATOM 128 CA PRO A 8 -4.929 -13.947 3.519 1.00 0.00 C ATOM 129 C PRO A 8 -4.248 -12.569 3.422 1.00 0.00 C ATOM 130 O PRO A 8 -4.617 -11.743 2.613 1.00 0.00 O ATOM 131 CB PRO A 8 -4.477 -14.880 2.360 1.00 0.00 C ATOM 132 CG PRO A 8 -5.743 -15.511 1.835 1.00 0.00 C ATOM 133 CD PRO A 8 -6.864 -14.506 2.122 1.00 0.00 C ATOM 0 HA PRO A 8 -4.651 -14.333 4.500 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.966 -14.317 1.579 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.779 -15.638 2.715 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.664 -15.714 0.767 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.937 -16.464 2.327 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.983 -13.792 1.307 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.825 -15.002 2.255 1.00 0.00 H new ATOM 141 N LEU A 9 -3.256 -12.324 4.231 1.00 0.00 N ATOM 142 CA LEU A 9 -2.554 -11.008 4.171 1.00 0.00 C ATOM 143 C LEU A 9 -1.850 -10.868 2.812 1.00 0.00 C ATOM 144 O LEU A 9 -1.890 -9.828 2.185 1.00 0.00 O ATOM 145 CB LEU A 9 -1.511 -10.940 5.305 1.00 0.00 C ATOM 146 CG LEU A 9 -2.189 -10.590 6.640 1.00 0.00 C ATOM 147 CD1 LEU A 9 -3.273 -11.627 6.968 1.00 0.00 C ATOM 148 CD2 LEU A 9 -1.130 -10.577 7.750 1.00 0.00 C ATOM 0 H LEU A 9 -2.900 -12.975 4.931 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.274 -10.198 4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.996 -11.897 5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.755 -10.192 5.067 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.656 -9.608 6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.747 -11.370 7.915 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.023 -11.633 6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.820 -12.615 7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.602 -10.330 8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.665 -11.560 7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.369 -9.832 7.518 1.00 0.00 H new ATOM 160 N GLN A 10 -1.200 -11.905 2.358 1.00 0.00 N ATOM 161 CA GLN A 10 -0.481 -11.830 1.053 1.00 0.00 C ATOM 162 C GLN A 10 -1.476 -11.594 -0.080 1.00 0.00 C ATOM 163 O GLN A 10 -1.268 -10.754 -0.935 1.00 0.00 O ATOM 164 CB GLN A 10 0.268 -13.146 0.812 1.00 0.00 C ATOM 165 CG GLN A 10 1.113 -13.047 -0.465 1.00 0.00 C ATOM 166 CD GLN A 10 1.914 -14.338 -0.653 1.00 0.00 C ATOM 167 OE1 GLN A 10 1.389 -15.422 -0.493 1.00 0.00 O ATOM 168 NE2 GLN A 10 3.172 -14.268 -0.991 1.00 0.00 N ATOM 0 H GLN A 10 -1.135 -12.804 2.836 1.00 0.00 H new ATOM 0 HA GLN A 10 0.228 -11.002 1.080 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.909 -13.370 1.665 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.443 -13.967 0.724 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.468 -12.878 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.789 -12.194 -0.401 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.614 -13.359 -1.126 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.714 -15.123 -1.121 1.00 0.00 H new ATOM 177 N ASP A 11 -2.550 -12.329 -0.105 1.00 0.00 N ATOM 178 CA ASP A 11 -3.545 -12.142 -1.195 1.00 0.00 C ATOM 179 C ASP A 11 -4.183 -10.755 -1.076 1.00 0.00 C ATOM 180 O ASP A 11 -4.507 -10.121 -2.062 1.00 0.00 O ATOM 181 CB ASP A 11 -4.634 -13.212 -1.096 1.00 0.00 C ATOM 182 CG ASP A 11 -4.016 -14.601 -1.295 1.00 0.00 C ATOM 183 OD1 ASP A 11 -2.800 -14.705 -1.240 1.00 0.00 O ATOM 184 OD2 ASP A 11 -4.772 -15.539 -1.488 1.00 0.00 O ATOM 0 H ASP A 11 -2.782 -13.049 0.579 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.040 -12.231 -2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.123 -13.157 -0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.401 -13.034 -1.849 1.00 0.00 H new ATOM 189 N MET A 12 -4.374 -10.280 0.125 1.00 0.00 N ATOM 190 CA MET A 12 -5.001 -8.941 0.309 1.00 0.00 C ATOM 191 C MET A 12 -4.136 -7.862 -0.353 1.00 0.00 C ATOM 192 O MET A 12 -4.612 -7.071 -1.144 1.00 0.00 O ATOM 193 CB MET A 12 -5.127 -8.655 1.810 1.00 0.00 C ATOM 194 CG MET A 12 -5.877 -7.337 2.032 1.00 0.00 C ATOM 195 SD MET A 12 -6.113 -7.075 3.814 1.00 0.00 S ATOM 196 CE MET A 12 -7.703 -6.210 3.736 1.00 0.00 C ATOM 0 H MET A 12 -4.122 -10.763 0.988 1.00 0.00 H new ATOM 0 HA MET A 12 -5.988 -8.932 -0.154 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.657 -9.471 2.301 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.137 -8.600 2.262 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.315 -6.508 1.602 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.842 -7.364 1.526 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.986 -5.878 4.735 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.615 -5.346 3.078 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.466 -6.885 3.348 1.00 0.00 H new ATOM 206 N PHE A 13 -2.866 -7.823 -0.043 1.00 0.00 N ATOM 207 CA PHE A 13 -1.981 -6.793 -0.665 1.00 0.00 C ATOM 208 C PHE A 13 -1.790 -7.105 -2.154 1.00 0.00 C ATOM 209 O PHE A 13 -1.761 -6.219 -2.982 1.00 0.00 O ATOM 210 CB PHE A 13 -0.608 -6.781 0.028 1.00 0.00 C ATOM 211 CG PHE A 13 -0.743 -6.256 1.450 1.00 0.00 C ATOM 212 CD1 PHE A 13 -1.102 -4.917 1.666 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.515 -7.100 2.550 1.00 0.00 C ATOM 214 CE1 PHE A 13 -1.231 -4.424 2.972 1.00 0.00 C ATOM 215 CE2 PHE A 13 -0.645 -6.605 3.853 1.00 0.00 C ATOM 216 CZ PHE A 13 -1.002 -5.268 4.064 1.00 0.00 C ATOM 0 H PHE A 13 -2.405 -8.456 0.610 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.450 -5.816 -0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.191 -7.788 0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.086 -6.156 -0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.279 -4.264 0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.239 -8.132 2.390 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.507 -3.393 3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.470 -7.256 4.697 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.101 -4.888 5.070 1.00 0.00 H new ATOM 226 N THR A 14 -1.642 -8.353 -2.500 1.00 0.00 N ATOM 227 CA THR A 14 -1.428 -8.706 -3.934 1.00 0.00 C ATOM 228 C THR A 14 -2.628 -8.241 -4.763 1.00 0.00 C ATOM 229 O THR A 14 -2.475 -7.669 -5.823 1.00 0.00 O ATOM 230 CB THR A 14 -1.280 -10.226 -4.067 1.00 0.00 C ATOM 231 OG1 THR A 14 -0.163 -10.658 -3.305 1.00 0.00 O ATOM 232 CG2 THR A 14 -1.062 -10.607 -5.536 1.00 0.00 C ATOM 0 H THR A 14 -1.660 -9.143 -1.855 1.00 0.00 H new ATOM 0 HA THR A 14 -0.524 -8.215 -4.296 1.00 0.00 H new ATOM 0 HB THR A 14 -2.189 -10.705 -3.702 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.349 -10.531 -2.351 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.958 -11.689 -5.620 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.916 -10.278 -6.128 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.157 -10.126 -5.906 1.00 0.00 H new ATOM 240 N SER A 15 -3.818 -8.488 -4.295 1.00 0.00 N ATOM 241 CA SER A 15 -5.022 -8.062 -5.066 1.00 0.00 C ATOM 242 C SER A 15 -5.041 -6.542 -5.213 1.00 0.00 C ATOM 243 O SER A 15 -5.341 -6.012 -6.267 1.00 0.00 O ATOM 244 CB SER A 15 -6.283 -8.509 -4.326 1.00 0.00 C ATOM 245 OG SER A 15 -6.295 -7.927 -3.028 1.00 0.00 O ATOM 0 H SER A 15 -4.011 -8.965 -3.414 1.00 0.00 H new ATOM 0 HA SER A 15 -4.989 -8.518 -6.055 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.171 -8.207 -4.881 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.309 -9.596 -4.250 1.00 0.00 H new ATOM 0 HG SER A 15 -5.380 -7.889 -2.678 1.00 0.00 H new ATOM 251 N ALA A 16 -4.734 -5.830 -4.166 1.00 0.00 N ATOM 252 CA ALA A 16 -4.745 -4.340 -4.241 1.00 0.00 C ATOM 253 C ALA A 16 -3.551 -3.826 -5.053 1.00 0.00 C ATOM 254 O ALA A 16 -3.693 -2.962 -5.892 1.00 0.00 O ATOM 255 CB ALA A 16 -4.673 -3.767 -2.826 1.00 0.00 C ATOM 0 H ALA A 16 -4.475 -6.215 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.664 -4.022 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.681 -2.678 -2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.532 -4.111 -2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.755 -4.103 -2.344 1.00 0.00 H new ATOM 261 N ILE A 17 -2.375 -4.335 -4.803 1.00 0.00 N ATOM 262 CA ILE A 17 -1.175 -3.850 -5.551 1.00 0.00 C ATOM 263 C ILE A 17 -1.340 -4.150 -7.042 1.00 0.00 C ATOM 264 O ILE A 17 -1.102 -3.307 -7.881 1.00 0.00 O ATOM 265 CB ILE A 17 0.070 -4.584 -5.011 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.340 -4.138 -3.560 1.00 0.00 C ATOM 267 CG2 ILE A 17 1.304 -4.275 -5.882 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.345 -5.098 -2.906 1.00 0.00 C ATOM 0 H ILE A 17 -2.191 -5.065 -4.114 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.063 -2.774 -5.417 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.117 -5.657 -5.040 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.732 -3.121 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.591 -4.127 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.171 -4.802 -5.484 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.118 -4.602 -6.905 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.496 -3.202 -5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.535 -4.782 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.935 -6.108 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.279 -5.086 -3.469 1.00 0.00 H new ATOM 280 N GLU A 18 -1.742 -5.340 -7.375 1.00 0.00 N ATOM 281 CA GLU A 18 -1.911 -5.696 -8.812 1.00 0.00 C ATOM 282 C GLU A 18 -3.077 -4.906 -9.409 1.00 0.00 C ATOM 283 O GLU A 18 -3.061 -4.537 -10.567 1.00 0.00 O ATOM 284 CB GLU A 18 -2.192 -7.198 -8.929 1.00 0.00 C ATOM 285 CG GLU A 18 -0.974 -7.997 -8.441 1.00 0.00 C ATOM 286 CD GLU A 18 0.208 -7.792 -9.395 1.00 0.00 C ATOM 287 OE1 GLU A 18 0.029 -8.000 -10.584 1.00 0.00 O ATOM 288 OE2 GLU A 18 1.270 -7.429 -8.918 1.00 0.00 O ATOM 0 H GLU A 18 -1.962 -6.086 -6.715 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.000 -5.450 -9.357 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.070 -7.460 -8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.416 -7.455 -9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.699 -7.678 -7.436 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.224 -9.056 -8.382 1.00 0.00 H new ATOM 295 N ALA A 19 -4.092 -4.651 -8.632 1.00 0.00 N ATOM 296 CA ALA A 19 -5.261 -3.892 -9.163 1.00 0.00 C ATOM 297 C ALA A 19 -4.849 -2.458 -9.517 1.00 0.00 C ATOM 298 O ALA A 19 -5.283 -1.912 -10.513 1.00 0.00 O ATOM 299 CB ALA A 19 -6.366 -3.857 -8.106 1.00 0.00 C ATOM 0 H ALA A 19 -4.164 -4.934 -7.655 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.625 -4.387 -10.063 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.221 -3.303 -8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.672 -4.875 -7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.993 -3.368 -7.206 1.00 0.00 H new ATOM 305 N VAL A 20 -4.019 -1.839 -8.704 1.00 0.00 N ATOM 306 CA VAL A 20 -3.576 -0.425 -8.978 1.00 0.00 C ATOM 307 C VAL A 20 -2.177 -0.434 -9.605 1.00 0.00 C ATOM 308 O VAL A 20 -1.581 0.603 -9.823 1.00 0.00 O ATOM 309 CB VAL A 20 -3.568 0.379 -7.661 1.00 0.00 C ATOM 310 CG1 VAL A 20 -4.905 0.173 -6.937 1.00 0.00 C ATOM 311 CG2 VAL A 20 -2.412 -0.074 -6.750 1.00 0.00 C ATOM 0 H VAL A 20 -3.627 -2.253 -7.858 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.270 0.046 -9.675 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.428 1.434 -7.894 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.905 0.739 -6.005 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.720 0.520 -7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.041 -0.886 -6.718 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.427 0.507 -5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.527 -1.132 -6.514 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.463 0.082 -7.262 1.00 0.00 H new ATOM 321 N ALA A 21 -1.649 -1.590 -9.907 1.00 0.00 N ATOM 322 CA ALA A 21 -0.296 -1.651 -10.527 1.00 0.00 C ATOM 323 C ALA A 21 -0.367 -1.044 -11.934 1.00 0.00 C ATOM 324 O ALA A 21 0.639 -0.866 -12.591 1.00 0.00 O ATOM 325 CB ALA A 21 0.166 -3.115 -10.615 1.00 0.00 C ATOM 0 H ALA A 21 -2.096 -2.493 -9.751 1.00 0.00 H new ATOM 0 HA ALA A 21 0.415 -1.091 -9.920 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.156 -3.157 -11.069 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.207 -3.544 -9.614 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.537 -3.682 -11.225 1.00 0.00 H new ATOM 331 N ARG A 22 -1.548 -0.738 -12.406 1.00 0.00 N ATOM 332 CA ARG A 22 -1.675 -0.153 -13.776 1.00 0.00 C ATOM 333 C ARG A 22 -0.941 1.185 -13.841 1.00 0.00 C ATOM 334 O ARG A 22 -1.531 2.241 -13.746 1.00 0.00 O ATOM 335 CB ARG A 22 -3.160 0.038 -14.122 1.00 0.00 C ATOM 336 CG ARG A 22 -3.791 -1.336 -14.312 1.00 0.00 C ATOM 337 CD ARG A 22 -5.314 -1.220 -14.553 1.00 0.00 C ATOM 338 NE ARG A 22 -5.663 0.053 -15.273 1.00 0.00 N ATOM 339 CZ ARG A 22 -6.789 0.146 -15.962 1.00 0.00 C ATOM 340 NH1 ARG A 22 -7.492 -0.922 -16.255 1.00 0.00 N ATOM 341 NH2 ARG A 22 -7.213 1.306 -16.383 1.00 0.00 N ATOM 0 H ARG A 22 -2.427 -0.867 -11.905 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.227 -0.833 -14.501 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.668 0.582 -13.325 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.264 0.632 -15.030 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.323 -1.841 -15.157 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.605 -1.950 -13.431 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.657 -2.075 -15.136 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.838 -1.254 -13.598 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.028 0.850 -15.230 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.173 -1.842 -15.951 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.358 -0.833 -16.787 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.676 2.149 -16.182 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.082 1.370 -16.914 1.00 0.00 H new ATOM 355 N ASP A 23 0.349 1.131 -14.020 1.00 0.00 N ATOM 356 CA ASP A 23 1.162 2.375 -14.108 1.00 0.00 C ATOM 357 C ASP A 23 2.599 2.001 -14.478 1.00 0.00 C ATOM 358 O ASP A 23 3.177 2.539 -15.401 1.00 0.00 O ATOM 359 CB ASP A 23 1.155 3.096 -12.753 1.00 0.00 C ATOM 360 CG ASP A 23 1.991 4.371 -12.851 1.00 0.00 C ATOM 361 OD1 ASP A 23 1.641 5.222 -13.651 1.00 0.00 O ATOM 362 OD2 ASP A 23 2.968 4.474 -12.128 1.00 0.00 O ATOM 0 H ASP A 23 0.881 0.266 -14.110 1.00 0.00 H new ATOM 0 HA ASP A 23 0.741 3.036 -14.866 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.133 3.340 -12.464 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.558 2.443 -11.979 1.00 0.00 H new ATOM 367 N SER A 24 3.174 1.073 -13.762 1.00 0.00 N ATOM 368 CA SER A 24 4.573 0.652 -14.063 1.00 0.00 C ATOM 369 C SER A 24 4.905 -0.619 -13.276 1.00 0.00 C ATOM 370 O SER A 24 5.687 -1.444 -13.708 1.00 0.00 O ATOM 371 CB SER A 24 5.540 1.767 -13.667 1.00 0.00 C ATOM 372 OG SER A 24 6.865 1.384 -14.009 1.00 0.00 O ATOM 0 H SER A 24 2.735 0.587 -12.980 1.00 0.00 H new ATOM 0 HA SER A 24 4.670 0.453 -15.130 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.274 2.693 -14.177 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.470 1.961 -12.597 1.00 0.00 H new ATOM 0 HG SER A 24 7.487 2.098 -13.757 1.00 0.00 H new ATOM 378 N GLY A 25 4.316 -0.784 -12.120 1.00 0.00 N ATOM 379 CA GLY A 25 4.589 -2.003 -11.293 1.00 0.00 C ATOM 380 C GLY A 25 4.307 -1.690 -9.821 1.00 0.00 C ATOM 381 O GLY A 25 3.428 -2.261 -9.209 1.00 0.00 O ATOM 0 H GLY A 25 3.654 -0.125 -11.709 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.963 -2.831 -11.627 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.625 -2.317 -11.418 1.00 0.00 H new ATOM 385 N TRP A 26 5.055 -0.789 -9.248 1.00 0.00 N ATOM 386 CA TRP A 26 4.845 -0.435 -7.815 1.00 0.00 C ATOM 387 C TRP A 26 3.384 -0.035 -7.578 1.00 0.00 C ATOM 388 O TRP A 26 2.553 -0.111 -8.462 1.00 0.00 O ATOM 389 CB TRP A 26 5.754 0.742 -7.444 1.00 0.00 C ATOM 390 CG TRP A 26 7.183 0.321 -7.544 1.00 0.00 C ATOM 391 CD1 TRP A 26 7.959 0.453 -8.644 1.00 0.00 C ATOM 392 CD2 TRP A 26 8.018 -0.297 -6.525 1.00 0.00 C ATOM 393 NE1 TRP A 26 9.217 -0.049 -8.367 1.00 0.00 N ATOM 394 CE2 TRP A 26 9.305 -0.522 -7.071 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.788 -0.679 -5.191 1.00 0.00 C ATOM 396 CZ2 TRP A 26 10.324 -1.108 -6.322 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.813 -1.269 -4.434 1.00 0.00 C ATOM 398 CH2 TRP A 26 10.078 -1.484 -4.999 1.00 0.00 C ATOM 0 H TRP A 26 5.807 -0.280 -9.712 1.00 0.00 H new ATOM 0 HA TRP A 26 5.085 -1.301 -7.197 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.565 1.585 -8.109 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.534 1.080 -6.431 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.647 0.881 -9.585 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.986 -0.068 -9.037 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.817 -0.518 -4.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.297 -1.270 -6.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.626 -1.559 -3.411 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.862 -1.940 -4.412 1.00 0.00 H new ATOM 409 N ALA A 27 3.071 0.401 -6.384 1.00 0.00 N ATOM 410 CA ALA A 27 1.672 0.825 -6.064 1.00 0.00 C ATOM 411 C ALA A 27 1.710 1.818 -4.900 1.00 0.00 C ATOM 412 O ALA A 27 2.426 1.633 -3.936 1.00 0.00 O ATOM 413 CB ALA A 27 0.847 -0.408 -5.671 1.00 0.00 C ATOM 0 H ALA A 27 3.730 0.482 -5.610 1.00 0.00 H new ATOM 0 HA ALA A 27 1.215 1.299 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.173 -0.104 -5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.833 -1.116 -6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.294 -0.881 -4.797 1.00 0.00 H new ATOM 419 N GLU A 28 0.950 2.876 -4.987 1.00 0.00 N ATOM 420 CA GLU A 28 0.945 3.889 -3.893 1.00 0.00 C ATOM 421 C GLU A 28 0.188 3.336 -2.681 1.00 0.00 C ATOM 422 O GLU A 28 -0.896 2.800 -2.802 1.00 0.00 O ATOM 423 CB GLU A 28 0.261 5.177 -4.382 1.00 0.00 C ATOM 424 CG GLU A 28 1.067 5.818 -5.543 1.00 0.00 C ATOM 425 CD GLU A 28 0.723 5.151 -6.881 1.00 0.00 C ATOM 426 OE1 GLU A 28 -0.018 4.185 -6.872 1.00 0.00 O ATOM 427 OE2 GLU A 28 1.198 5.635 -7.896 1.00 0.00 O ATOM 0 H GLU A 28 0.331 3.083 -5.771 1.00 0.00 H new ATOM 0 HA GLU A 28 1.973 4.112 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.752 4.953 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.175 5.885 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.849 6.885 -5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.135 5.720 -5.347 1.00 0.00 H new ATOM 434 N LEU A 29 0.763 3.452 -1.511 1.00 0.00 N ATOM 435 CA LEU A 29 0.097 2.917 -0.284 1.00 0.00 C ATOM 436 C LEU A 29 -1.295 3.544 -0.153 1.00 0.00 C ATOM 437 O LEU A 29 -2.251 2.878 0.189 1.00 0.00 O ATOM 438 CB LEU A 29 0.951 3.272 0.950 1.00 0.00 C ATOM 439 CG LEU A 29 0.327 2.721 2.254 1.00 0.00 C ATOM 440 CD1 LEU A 29 0.313 1.177 2.251 1.00 0.00 C ATOM 441 CD2 LEU A 29 1.148 3.227 3.451 1.00 0.00 C ATOM 0 H LEU A 29 1.668 3.895 -1.352 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.002 1.834 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.955 2.866 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.052 4.355 1.024 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.703 3.070 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.131 0.815 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.274 0.820 1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.334 0.804 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.717 2.844 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.177 2.879 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.133 4.317 3.468 1.00 0.00 H new ATOM 453 N SER A 30 -1.423 4.813 -0.428 1.00 0.00 N ATOM 454 CA SER A 30 -2.762 5.463 -0.324 1.00 0.00 C ATOM 455 C SER A 30 -3.752 4.721 -1.230 1.00 0.00 C ATOM 456 O SER A 30 -4.877 4.456 -0.857 1.00 0.00 O ATOM 457 CB SER A 30 -2.654 6.919 -0.771 1.00 0.00 C ATOM 458 OG SER A 30 -1.715 7.591 0.056 1.00 0.00 O ATOM 0 H SER A 30 -0.662 5.427 -0.719 1.00 0.00 H new ATOM 0 HA SER A 30 -3.111 5.426 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.341 6.970 -1.814 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.627 7.405 -0.707 1.00 0.00 H new ATOM 0 HG SER A 30 -1.640 8.526 -0.227 1.00 0.00 H new ATOM 464 N ALA A 31 -3.335 4.379 -2.416 1.00 0.00 N ATOM 465 CA ALA A 31 -4.244 3.647 -3.344 1.00 0.00 C ATOM 466 C ALA A 31 -4.587 2.278 -2.750 1.00 0.00 C ATOM 467 O ALA A 31 -5.697 1.802 -2.864 1.00 0.00 O ATOM 468 CB ALA A 31 -3.552 3.452 -4.693 1.00 0.00 C ATOM 0 H ALA A 31 -2.404 4.574 -2.784 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.157 4.225 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.218 2.917 -5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.306 4.424 -5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.638 2.876 -4.553 1.00 0.00 H new ATOM 474 N VAL A 32 -3.637 1.635 -2.121 1.00 0.00 N ATOM 475 CA VAL A 32 -3.912 0.292 -1.530 1.00 0.00 C ATOM 476 C VAL A 32 -4.976 0.422 -0.435 1.00 0.00 C ATOM 477 O VAL A 32 -5.937 -0.322 -0.400 1.00 0.00 O ATOM 478 CB VAL A 32 -2.611 -0.263 -0.927 1.00 0.00 C ATOM 479 CG1 VAL A 32 -2.876 -1.598 -0.211 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.587 -0.471 -2.046 1.00 0.00 C ATOM 0 H VAL A 32 -2.686 1.981 -1.992 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.277 -0.385 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.224 0.449 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.944 -1.976 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.600 -1.444 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.272 -2.321 -0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.662 -0.865 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.983 -1.178 -2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.386 0.481 -2.537 1.00 0.00 H new ATOM 490 N GLY A 33 -4.810 1.354 0.461 1.00 0.00 N ATOM 491 CA GLY A 33 -5.810 1.517 1.556 1.00 0.00 C ATOM 492 C GLY A 33 -7.176 1.875 0.965 1.00 0.00 C ATOM 493 O GLY A 33 -8.192 1.335 1.357 1.00 0.00 O ATOM 0 H GLY A 33 -4.028 2.009 0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.884 0.595 2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.485 2.298 2.243 1.00 0.00 H new ATOM 497 N SER A 34 -7.211 2.781 0.027 1.00 0.00 N ATOM 498 CA SER A 34 -8.516 3.170 -0.581 1.00 0.00 C ATOM 499 C SER A 34 -9.075 2.005 -1.406 1.00 0.00 C ATOM 500 O SER A 34 -10.255 1.719 -1.374 1.00 0.00 O ATOM 501 CB SER A 34 -8.311 4.382 -1.491 1.00 0.00 C ATOM 502 OG SER A 34 -7.364 4.060 -2.503 1.00 0.00 O ATOM 0 H SER A 34 -6.395 3.268 -0.344 1.00 0.00 H new ATOM 0 HA SER A 34 -9.221 3.420 0.212 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.258 4.674 -1.944 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.960 5.233 -0.907 1.00 0.00 H new ATOM 0 HG SER A 34 -7.233 4.836 -3.087 1.00 0.00 H new ATOM 508 N TYR A 35 -8.239 1.337 -2.151 1.00 0.00 N ATOM 509 CA TYR A 35 -8.729 0.200 -2.985 1.00 0.00 C ATOM 510 C TYR A 35 -9.316 -0.886 -2.078 1.00 0.00 C ATOM 511 O TYR A 35 -10.398 -1.388 -2.311 1.00 0.00 O ATOM 512 CB TYR A 35 -7.560 -0.384 -3.788 1.00 0.00 C ATOM 513 CG TYR A 35 -8.030 -1.582 -4.592 1.00 0.00 C ATOM 514 CD1 TYR A 35 -8.535 -1.405 -5.887 1.00 0.00 C ATOM 515 CD2 TYR A 35 -7.966 -2.870 -4.040 1.00 0.00 C ATOM 516 CE1 TYR A 35 -8.971 -2.509 -6.627 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.400 -3.974 -4.782 1.00 0.00 C ATOM 518 CZ TYR A 35 -8.903 -3.793 -6.074 1.00 0.00 C ATOM 519 OH TYR A 35 -9.333 -4.882 -6.806 1.00 0.00 O ATOM 0 H TYR A 35 -7.239 1.527 -2.220 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.499 0.557 -3.668 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.152 0.375 -4.456 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.757 -0.681 -3.113 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.588 -0.415 -6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.581 -3.010 -3.041 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.360 -2.371 -7.625 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.347 -4.965 -4.357 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.216 -5.699 -6.277 1.00 0.00 H new ATOM 529 N LEU A 36 -8.609 -1.252 -1.045 1.00 0.00 N ATOM 530 CA LEU A 36 -9.127 -2.305 -0.130 1.00 0.00 C ATOM 531 C LEU A 36 -10.414 -1.801 0.520 1.00 0.00 C ATOM 532 O LEU A 36 -11.373 -2.530 0.667 1.00 0.00 O ATOM 533 CB LEU A 36 -8.076 -2.603 0.949 1.00 0.00 C ATOM 534 CG LEU A 36 -6.830 -3.271 0.322 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.696 -3.295 1.356 1.00 0.00 C ATOM 536 CD2 LEU A 36 -7.142 -4.717 -0.143 1.00 0.00 C ATOM 0 H LEU A 36 -7.697 -0.868 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.333 -3.219 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.787 -1.678 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.502 -3.257 1.710 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.530 -2.692 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.815 -3.765 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.453 -2.275 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.013 -3.862 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.247 -5.160 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.462 -5.313 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.937 -4.696 -0.889 1.00 0.00 H new ATOM 548 N ALA A 37 -10.450 -0.555 0.903 1.00 0.00 N ATOM 549 CA ALA A 37 -11.682 -0.008 1.539 1.00 0.00 C ATOM 550 C ALA A 37 -12.879 -0.224 0.606 1.00 0.00 C ATOM 551 O ALA A 37 -13.948 -0.612 1.034 1.00 0.00 O ATOM 552 CB ALA A 37 -11.498 1.487 1.797 1.00 0.00 C ATOM 0 H ALA A 37 -9.681 0.108 0.804 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.863 -0.521 2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.398 1.889 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.647 1.640 2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.318 2.000 0.852 1.00 0.00 H new ATOM 558 N LYS A 38 -12.714 0.024 -0.664 1.00 0.00 N ATOM 559 CA LYS A 38 -13.845 -0.169 -1.612 1.00 0.00 C ATOM 560 C LYS A 38 -14.270 -1.644 -1.604 1.00 0.00 C ATOM 561 O LYS A 38 -15.438 -1.968 -1.531 1.00 0.00 O ATOM 562 CB LYS A 38 -13.383 0.228 -3.023 1.00 0.00 C ATOM 563 CG LYS A 38 -14.593 0.305 -3.997 1.00 0.00 C ATOM 564 CD LYS A 38 -15.236 1.719 -3.970 1.00 0.00 C ATOM 565 CE LYS A 38 -14.495 2.658 -4.937 1.00 0.00 C ATOM 566 NZ LYS A 38 -15.053 4.033 -4.814 1.00 0.00 N ATOM 0 H LYS A 38 -11.845 0.352 -1.085 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.691 0.450 -1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.877 1.193 -2.987 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.659 -0.498 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.266 0.069 -5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.336 -0.442 -3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.288 1.654 -4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.199 2.124 -2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.429 2.664 -4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.601 2.301 -5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.554 4.670 -5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.066 4.019 -5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.930 4.372 -3.838 1.00 0.00 H new ATOM 580 N ASN A 39 -13.324 -2.538 -1.678 1.00 0.00 N ATOM 581 CA ASN A 39 -13.663 -3.991 -1.675 1.00 0.00 C ATOM 582 C ASN A 39 -14.283 -4.369 -0.326 1.00 0.00 C ATOM 583 O ASN A 39 -15.210 -5.149 -0.255 1.00 0.00 O ATOM 584 CB ASN A 39 -12.389 -4.807 -1.904 1.00 0.00 C ATOM 585 CG ASN A 39 -11.884 -4.579 -3.330 1.00 0.00 C ATOM 586 OD1 ASN A 39 -12.440 -5.102 -4.275 1.00 0.00 O ATOM 587 ND2 ASN A 39 -10.848 -3.813 -3.526 1.00 0.00 N ATOM 0 H ASN A 39 -12.328 -2.326 -1.741 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.378 -4.202 -2.470 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.624 -4.515 -1.185 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.589 -5.866 -1.743 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.504 -3.653 -4.473 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.381 -3.374 -2.733 1.00 0.00 H new ATOM 594 N ASP A 40 -13.763 -3.817 0.744 1.00 0.00 N ATOM 595 CA ASP A 40 -14.288 -4.119 2.118 1.00 0.00 C ATOM 596 C ASP A 40 -14.438 -2.796 2.894 1.00 0.00 C ATOM 597 O ASP A 40 -13.573 -2.429 3.663 1.00 0.00 O ATOM 598 CB ASP A 40 -13.290 -5.043 2.848 1.00 0.00 C ATOM 599 CG ASP A 40 -11.856 -4.613 2.528 1.00 0.00 C ATOM 600 OD1 ASP A 40 -11.505 -3.498 2.869 1.00 0.00 O ATOM 601 OD2 ASP A 40 -11.135 -5.409 1.951 1.00 0.00 O ATOM 0 H ASP A 40 -12.984 -3.159 0.725 1.00 0.00 H new ATOM 0 HA ASP A 40 -15.256 -4.616 2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.461 -5.000 3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.446 -6.077 2.541 1.00 0.00 H new ATOM 606 N PRO A 41 -15.531 -2.086 2.704 1.00 0.00 N ATOM 607 CA PRO A 41 -15.780 -0.793 3.414 1.00 0.00 C ATOM 608 C PRO A 41 -15.687 -0.971 4.933 1.00 0.00 C ATOM 609 O PRO A 41 -15.329 -0.066 5.658 1.00 0.00 O ATOM 610 CB PRO A 41 -17.210 -0.401 2.979 1.00 0.00 C ATOM 611 CG PRO A 41 -17.414 -1.106 1.669 1.00 0.00 C ATOM 612 CD PRO A 41 -16.641 -2.425 1.795 1.00 0.00 C ATOM 0 HA PRO A 41 -15.045 -0.028 3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -17.949 -0.714 3.717 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -17.309 0.679 2.868 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -18.472 -1.287 1.480 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -17.039 -0.508 0.838 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -17.266 -3.219 2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -16.277 -2.771 0.828 1.00 0.00 H new ATOM 620 N SER A 42 -16.010 -2.139 5.410 1.00 0.00 N ATOM 621 CA SER A 42 -15.946 -2.393 6.873 1.00 0.00 C ATOM 622 C SER A 42 -14.486 -2.367 7.337 1.00 0.00 C ATOM 623 O SER A 42 -14.200 -2.407 8.516 1.00 0.00 O ATOM 624 CB SER A 42 -16.563 -3.761 7.169 1.00 0.00 C ATOM 625 OG SER A 42 -17.803 -3.868 6.481 1.00 0.00 O ATOM 0 H SER A 42 -16.317 -2.932 4.846 1.00 0.00 H new ATOM 0 HA SER A 42 -16.500 -1.621 7.407 1.00 0.00 H new ATOM 0 HB2 SER A 42 -15.887 -4.555 6.853 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.716 -3.881 8.242 1.00 0.00 H new ATOM 0 HG SER A 42 -18.204 -4.743 6.664 1.00 0.00 H new ATOM 631 N PHE A 43 -13.561 -2.298 6.413 1.00 0.00 N ATOM 632 CA PHE A 43 -12.111 -2.260 6.796 1.00 0.00 C ATOM 633 C PHE A 43 -11.693 -0.799 7.003 1.00 0.00 C ATOM 634 O PHE A 43 -11.834 0.031 6.125 1.00 0.00 O ATOM 635 CB PHE A 43 -11.269 -2.901 5.676 1.00 0.00 C ATOM 636 CG PHE A 43 -9.876 -3.256 6.190 1.00 0.00 C ATOM 637 CD1 PHE A 43 -9.731 -4.244 7.175 1.00 0.00 C ATOM 638 CD2 PHE A 43 -8.733 -2.613 5.681 1.00 0.00 C ATOM 639 CE1 PHE A 43 -8.458 -4.585 7.652 1.00 0.00 C ATOM 640 CE2 PHE A 43 -7.462 -2.956 6.160 1.00 0.00 C ATOM 641 CZ PHE A 43 -7.325 -3.943 7.144 1.00 0.00 C ATOM 0 H PHE A 43 -13.744 -2.266 5.410 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.950 -2.817 7.719 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.766 -3.798 5.307 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.188 -2.213 4.835 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.604 -4.744 7.568 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.836 -1.854 4.920 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.352 -5.344 8.413 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.586 -2.458 5.770 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.344 -4.208 7.510 1.00 0.00 H new ATOM 651 N ASP A 44 -11.189 -0.495 8.172 1.00 0.00 N ATOM 652 CA ASP A 44 -10.748 0.901 8.508 1.00 0.00 C ATOM 653 C ASP A 44 -9.285 0.876 8.974 1.00 0.00 C ATOM 654 O ASP A 44 -9.021 0.868 10.160 1.00 0.00 O ATOM 655 CB ASP A 44 -11.619 1.431 9.648 1.00 0.00 C ATOM 656 CG ASP A 44 -13.090 1.351 9.248 1.00 0.00 C ATOM 657 OD1 ASP A 44 -13.370 1.494 8.070 1.00 0.00 O ATOM 658 OD2 ASP A 44 -13.909 1.149 10.128 1.00 0.00 O ATOM 0 H ASP A 44 -11.060 -1.169 8.927 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.843 1.539 7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.446 0.848 10.553 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.349 2.462 9.876 1.00 0.00 H new ATOM 663 N PRO A 45 -8.333 0.862 8.064 1.00 0.00 N ATOM 664 CA PRO A 45 -6.894 0.840 8.442 1.00 0.00 C ATOM 665 C PRO A 45 -6.433 2.221 8.927 1.00 0.00 C ATOM 666 O PRO A 45 -5.607 2.333 9.805 1.00 0.00 O ATOM 667 CB PRO A 45 -6.163 0.399 7.153 1.00 0.00 C ATOM 668 CG PRO A 45 -7.101 0.726 6.010 1.00 0.00 C ATOM 669 CD PRO A 45 -8.525 0.879 6.602 1.00 0.00 C ATOM 0 HA PRO A 45 -6.686 0.164 9.271 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.215 0.925 7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.935 -0.667 7.178 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.792 1.645 5.512 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.081 -0.065 5.260 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.991 1.809 6.276 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.176 0.066 6.280 1.00 0.00 H new ATOM 677 N ARG A 46 -6.981 3.264 8.369 1.00 0.00 N ATOM 678 CA ARG A 46 -6.586 4.633 8.812 1.00 0.00 C ATOM 679 C ARG A 46 -6.976 4.800 10.292 1.00 0.00 C ATOM 680 O ARG A 46 -6.227 5.332 11.086 1.00 0.00 O ATOM 681 CB ARG A 46 -7.327 5.682 7.974 1.00 0.00 C ATOM 682 CG ARG A 46 -6.792 5.702 6.531 1.00 0.00 C ATOM 683 CD ARG A 46 -7.693 6.634 5.697 1.00 0.00 C ATOM 684 NE ARG A 46 -7.232 6.781 4.272 1.00 0.00 N ATOM 685 CZ ARG A 46 -7.436 5.826 3.390 1.00 0.00 C ATOM 686 NH1 ARG A 46 -7.525 4.575 3.751 1.00 0.00 N ATOM 687 NH2 ARG A 46 -7.468 6.121 2.117 1.00 0.00 N ATOM 0 H ARG A 46 -7.682 3.230 7.629 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.512 4.767 8.685 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.395 5.462 7.968 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.207 6.667 8.426 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.761 6.054 6.513 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.793 4.696 6.111 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.712 6.247 5.705 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.722 7.617 6.167 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.754 7.635 3.985 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.436 4.321 4.735 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.683 3.852 3.049 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.335 7.086 1.814 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.626 5.386 1.427 1.00 0.00 H new ATOM 701 N ASN A 47 -8.157 4.359 10.659 1.00 0.00 N ATOM 702 CA ASN A 47 -8.624 4.503 12.078 1.00 0.00 C ATOM 703 C ASN A 47 -7.533 4.030 13.047 1.00 0.00 C ATOM 704 O ASN A 47 -7.404 4.546 14.141 1.00 0.00 O ATOM 705 CB ASN A 47 -9.897 3.665 12.282 1.00 0.00 C ATOM 706 CG ASN A 47 -10.356 3.745 13.745 1.00 0.00 C ATOM 707 OD1 ASN A 47 -10.237 4.775 14.374 1.00 0.00 O ATOM 708 ND2 ASN A 47 -10.881 2.690 14.315 1.00 0.00 N ATOM 0 H ASN A 47 -8.822 3.903 10.034 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.839 5.553 12.278 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.688 4.026 11.625 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.705 2.627 12.010 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.189 2.735 15.286 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.982 1.823 13.788 1.00 0.00 H new ATOM 715 N TRP A 48 -6.738 3.066 12.650 1.00 0.00 N ATOM 716 CA TRP A 48 -5.631 2.559 13.531 1.00 0.00 C ATOM 717 C TRP A 48 -4.358 2.455 12.695 1.00 0.00 C ATOM 718 O TRP A 48 -3.461 1.695 12.995 1.00 0.00 O ATOM 719 CB TRP A 48 -6.003 1.184 14.096 1.00 0.00 C ATOM 720 CG TRP A 48 -6.258 0.222 12.982 1.00 0.00 C ATOM 721 CD1 TRP A 48 -7.425 0.109 12.311 1.00 0.00 C ATOM 722 CD2 TRP A 48 -5.358 -0.774 12.411 1.00 0.00 C ATOM 723 NE1 TRP A 48 -7.299 -0.888 11.362 1.00 0.00 N ATOM 724 CE2 TRP A 48 -6.043 -1.460 11.382 1.00 0.00 C ATOM 725 CE3 TRP A 48 -4.027 -1.142 12.681 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -5.431 -2.474 10.646 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -3.408 -2.162 11.942 1.00 0.00 C ATOM 728 CH2 TRP A 48 -4.109 -2.827 10.926 1.00 0.00 C ATOM 0 H TRP A 48 -6.807 2.602 11.744 1.00 0.00 H new ATOM 0 HA TRP A 48 -5.473 3.243 14.365 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.198 0.813 14.730 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.890 1.268 14.724 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.311 0.701 12.487 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -8.044 -1.167 10.724 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.478 -0.636 13.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.976 -2.983 9.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.386 -2.436 12.157 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.627 -3.611 10.361 1.00 0.00 H new ATOM 739 N GLY A 49 -4.272 3.223 11.645 1.00 0.00 N ATOM 740 CA GLY A 49 -3.059 3.176 10.777 1.00 0.00 C ATOM 741 C GLY A 49 -3.095 4.333 9.777 1.00 0.00 C ATOM 742 O GLY A 49 -3.023 4.134 8.580 1.00 0.00 O ATOM 0 H GLY A 49 -4.991 3.883 11.349 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.159 3.240 11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.017 2.225 10.246 1.00 0.00 H new ATOM 746 N HIS A 50 -3.206 5.540 10.259 1.00 0.00 N ATOM 747 CA HIS A 50 -3.244 6.716 9.339 1.00 0.00 C ATOM 748 C HIS A 50 -1.950 6.770 8.527 1.00 0.00 C ATOM 749 O HIS A 50 -1.969 6.936 7.324 1.00 0.00 O ATOM 750 CB HIS A 50 -3.395 7.997 10.163 1.00 0.00 C ATOM 751 CG HIS A 50 -3.512 9.181 9.244 1.00 0.00 C ATOM 752 ND1 HIS A 50 -2.400 9.852 8.760 1.00 0.00 N ATOM 753 CD2 HIS A 50 -4.601 9.828 8.714 1.00 0.00 C ATOM 754 CE1 HIS A 50 -2.841 10.855 7.977 1.00 0.00 C ATOM 755 NE2 HIS A 50 -4.174 10.886 7.915 1.00 0.00 N ATOM 0 H HIS A 50 -3.272 5.765 11.252 1.00 0.00 H new ATOM 0 HA HIS A 50 -4.090 6.623 8.658 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -4.278 7.930 10.799 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.536 8.120 10.822 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -5.632 9.558 8.890 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.195 11.550 7.462 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.755 11.543 7.394 1.00 0.00 H new ATOM 763 N GLY A 51 -0.825 6.625 9.183 1.00 0.00 N ATOM 764 CA GLY A 51 0.503 6.658 8.478 1.00 0.00 C ATOM 765 C GLY A 51 1.366 5.508 8.985 1.00 0.00 C ATOM 766 O GLY A 51 2.209 4.989 8.279 1.00 0.00 O ATOM 0 H GLY A 51 -0.766 6.483 10.191 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.359 6.573 7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.001 7.610 8.659 1.00 0.00 H new ATOM 770 N ARG A 52 1.169 5.111 10.207 1.00 0.00 N ATOM 771 CA ARG A 52 1.984 3.999 10.765 1.00 0.00 C ATOM 772 C ARG A 52 1.705 2.715 9.962 1.00 0.00 C ATOM 773 O ARG A 52 2.329 1.692 10.159 1.00 0.00 O ATOM 774 CB ARG A 52 1.615 3.792 12.254 1.00 0.00 C ATOM 775 CG ARG A 52 2.704 2.947 12.986 1.00 0.00 C ATOM 776 CD ARG A 52 3.777 3.838 13.694 1.00 0.00 C ATOM 777 NE ARG A 52 3.875 5.197 13.059 1.00 0.00 N ATOM 778 CZ ARG A 52 4.975 5.913 13.152 1.00 0.00 C ATOM 779 NH1 ARG A 52 6.053 5.417 13.698 1.00 0.00 N ATOM 780 NH2 ARG A 52 4.991 7.133 12.691 1.00 0.00 N ATOM 0 H ARG A 52 0.479 5.508 10.845 1.00 0.00 H new ATOM 0 HA ARG A 52 3.045 4.240 10.693 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.509 4.760 12.744 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.650 3.291 12.327 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.225 2.304 13.725 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.197 2.293 12.266 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.523 3.946 14.748 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.748 3.344 13.649 1.00 0.00 H new ATOM 0 HE ARG A 52 3.075 5.570 12.547 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.049 4.463 14.059 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.899 5.984 13.763 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.154 7.527 12.261 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.841 7.693 12.760 1.00 0.00 H new ATOM 794 N LEU A 53 0.777 2.768 9.045 1.00 0.00 N ATOM 795 CA LEU A 53 0.460 1.560 8.223 1.00 0.00 C ATOM 796 C LEU A 53 1.703 1.171 7.418 1.00 0.00 C ATOM 797 O LEU A 53 2.014 0.006 7.259 1.00 0.00 O ATOM 798 CB LEU A 53 -0.702 1.895 7.271 1.00 0.00 C ATOM 799 CG LEU A 53 -1.110 0.671 6.418 1.00 0.00 C ATOM 800 CD1 LEU A 53 -1.670 -0.463 7.305 1.00 0.00 C ATOM 801 CD2 LEU A 53 -2.179 1.113 5.407 1.00 0.00 C ATOM 0 H LEU A 53 0.223 3.596 8.828 1.00 0.00 H new ATOM 0 HA LEU A 53 0.170 0.728 8.864 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.560 2.238 7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.411 2.716 6.615 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.230 0.289 5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.949 -1.311 6.679 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.909 -0.775 8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.548 -0.105 7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.478 0.260 4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.047 1.499 5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.772 1.894 4.765 1.00 0.00 H new ATOM 813 N SER A 54 2.414 2.138 6.911 1.00 0.00 N ATOM 814 CA SER A 54 3.634 1.833 6.112 1.00 0.00 C ATOM 815 C SER A 54 4.622 1.043 6.975 1.00 0.00 C ATOM 816 O SER A 54 5.268 0.123 6.516 1.00 0.00 O ATOM 817 CB SER A 54 4.288 3.143 5.670 1.00 0.00 C ATOM 818 OG SER A 54 5.424 2.857 4.867 1.00 0.00 O ATOM 0 H SER A 54 2.202 3.130 7.016 1.00 0.00 H new ATOM 0 HA SER A 54 3.360 1.244 5.237 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.575 3.747 5.108 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.583 3.727 6.542 1.00 0.00 H new ATOM 0 HG SER A 54 5.843 3.696 4.582 1.00 0.00 H new ATOM 824 N GLN A 55 4.750 1.399 8.223 1.00 0.00 N ATOM 825 CA GLN A 55 5.701 0.668 9.113 1.00 0.00 C ATOM 826 C GLN A 55 5.103 -0.690 9.514 1.00 0.00 C ATOM 827 O GLN A 55 5.819 -1.625 9.808 1.00 0.00 O ATOM 828 CB GLN A 55 5.962 1.494 10.375 1.00 0.00 C ATOM 829 CG GLN A 55 6.519 2.871 9.997 1.00 0.00 C ATOM 830 CD GLN A 55 7.908 2.723 9.374 1.00 0.00 C ATOM 831 OE1 GLN A 55 8.034 2.413 8.206 1.00 0.00 O ATOM 832 NE2 GLN A 55 8.966 2.935 10.108 1.00 0.00 N ATOM 0 H GLN A 55 4.239 2.163 8.666 1.00 0.00 H new ATOM 0 HA GLN A 55 6.637 0.509 8.577 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.038 1.610 10.941 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.668 0.972 11.021 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.847 3.363 9.294 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.574 3.505 10.882 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.862 3.195 11.089 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.896 2.840 9.701 1.00 0.00 H new ATOM 841 N MET A 56 3.799 -0.811 9.538 1.00 0.00 N ATOM 842 CA MET A 56 3.183 -2.118 9.930 1.00 0.00 C ATOM 843 C MET A 56 3.546 -3.192 8.892 1.00 0.00 C ATOM 844 O MET A 56 3.885 -4.307 9.235 1.00 0.00 O ATOM 845 CB MET A 56 1.652 -1.957 9.999 1.00 0.00 C ATOM 846 CG MET A 56 1.252 -1.210 11.280 1.00 0.00 C ATOM 847 SD MET A 56 1.505 -2.291 12.712 1.00 0.00 S ATOM 848 CE MET A 56 1.293 -1.032 13.994 1.00 0.00 C ATOM 0 H MET A 56 3.139 -0.069 9.306 1.00 0.00 H new ATOM 0 HA MET A 56 3.561 -2.423 10.906 1.00 0.00 H new ATOM 0 HB2 MET A 56 1.297 -1.410 9.125 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.175 -2.937 9.977 1.00 0.00 H new ATOM 0 HG2 MET A 56 1.847 -0.303 11.386 1.00 0.00 H new ATOM 0 HG3 MET A 56 0.208 -0.902 11.223 1.00 0.00 H new ATOM 0 HE1 MET A 56 1.411 -1.490 14.976 1.00 0.00 H new ATOM 0 HE2 MET A 56 2.043 -0.252 13.865 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.297 -0.595 13.914 1.00 0.00 H new ATOM 858 N VAL A 57 3.479 -2.863 7.631 1.00 0.00 N ATOM 859 CA VAL A 57 3.821 -3.863 6.572 1.00 0.00 C ATOM 860 C VAL A 57 5.330 -4.140 6.593 1.00 0.00 C ATOM 861 O VAL A 57 5.794 -5.164 6.130 1.00 0.00 O ATOM 862 CB VAL A 57 3.410 -3.312 5.198 1.00 0.00 C ATOM 863 CG1 VAL A 57 1.881 -3.276 5.091 1.00 0.00 C ATOM 864 CG2 VAL A 57 3.959 -1.890 5.029 1.00 0.00 C ATOM 0 H VAL A 57 3.202 -1.944 7.285 1.00 0.00 H new ATOM 0 HA VAL A 57 3.285 -4.793 6.762 1.00 0.00 H new ATOM 0 HB VAL A 57 3.815 -3.958 4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.594 -2.885 4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.484 -4.284 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.477 -2.633 5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.667 -1.501 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.555 -1.248 5.812 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.046 -1.909 5.101 1.00 0.00 H new ATOM 874 N LYS A 58 6.095 -3.230 7.122 1.00 0.00 N ATOM 875 CA LYS A 58 7.573 -3.425 7.175 1.00 0.00 C ATOM 876 C LYS A 58 7.893 -4.648 8.040 1.00 0.00 C ATOM 877 O LYS A 58 8.868 -5.339 7.821 1.00 0.00 O ATOM 878 CB LYS A 58 8.224 -2.177 7.779 1.00 0.00 C ATOM 879 CG LYS A 58 9.746 -2.281 7.672 1.00 0.00 C ATOM 880 CD LYS A 58 10.383 -1.001 8.221 1.00 0.00 C ATOM 881 CE LYS A 58 11.903 -1.098 8.104 1.00 0.00 C ATOM 882 NZ LYS A 58 12.282 -1.196 6.665 1.00 0.00 N ATOM 0 H LYS A 58 5.761 -2.354 7.523 1.00 0.00 H new ATOM 0 HA LYS A 58 7.962 -3.585 6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.874 -1.285 7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.930 -2.072 8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.103 -3.146 8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.039 -2.430 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.020 -0.135 7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.096 -0.857 9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.370 -0.223 8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.266 -1.970 8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.279 -0.925 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.148 -2.174 6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.683 -0.557 6.104 1.00 0.00 H new ATOM 896 N LYS A 59 7.078 -4.922 9.017 1.00 0.00 N ATOM 897 CA LYS A 59 7.328 -6.099 9.893 1.00 0.00 C ATOM 898 C LYS A 59 7.247 -7.381 9.054 1.00 0.00 C ATOM 899 O LYS A 59 7.942 -8.344 9.296 1.00 0.00 O ATOM 900 CB LYS A 59 6.267 -6.133 10.996 1.00 0.00 C ATOM 901 CG LYS A 59 6.606 -7.226 12.019 1.00 0.00 C ATOM 902 CD LYS A 59 5.507 -7.311 13.097 1.00 0.00 C ATOM 903 CE LYS A 59 5.547 -6.088 14.030 1.00 0.00 C ATOM 904 NZ LYS A 59 4.734 -6.372 15.246 1.00 0.00 N ATOM 0 H LYS A 59 6.246 -4.380 9.248 1.00 0.00 H new ATOM 0 HA LYS A 59 8.318 -6.026 10.343 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.215 -5.164 11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.285 -6.322 10.562 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.705 -8.187 11.515 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.567 -7.011 12.486 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.529 -7.375 12.619 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.637 -8.222 13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.576 -5.863 14.310 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.158 -5.210 13.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.758 -5.548 15.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.751 -6.567 14.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.125 -7.200 15.739 1.00 0.00 H new ATOM 918 N LEU A 60 6.387 -7.394 8.074 1.00 0.00 N ATOM 919 CA LEU A 60 6.236 -8.605 7.213 1.00 0.00 C ATOM 920 C LEU A 60 7.443 -8.712 6.270 1.00 0.00 C ATOM 921 O LEU A 60 7.678 -7.859 5.438 1.00 0.00 O ATOM 922 CB LEU A 60 4.948 -8.466 6.401 1.00 0.00 C ATOM 923 CG LEU A 60 3.748 -8.220 7.336 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.486 -8.016 6.485 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.548 -9.412 8.300 1.00 0.00 C ATOM 0 H LEU A 60 5.777 -6.614 7.829 1.00 0.00 H new ATOM 0 HA LEU A 60 6.188 -9.504 7.828 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.043 -7.641 5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.781 -9.369 5.814 1.00 0.00 H new ATOM 0 HG LEU A 60 3.940 -7.330 7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.631 -7.841 7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.624 -7.156 5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.306 -8.906 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.695 -9.215 8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.364 -10.319 7.724 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.444 -9.544 8.907 1.00 0.00 H new ATOM 937 N ASP A 61 8.218 -9.751 6.420 1.00 0.00 N ATOM 938 CA ASP A 61 9.431 -9.931 5.567 1.00 0.00 C ATOM 939 C ASP A 61 9.058 -10.125 4.084 1.00 0.00 C ATOM 940 O ASP A 61 9.728 -9.620 3.206 1.00 0.00 O ATOM 941 CB ASP A 61 10.200 -11.165 6.059 1.00 0.00 C ATOM 942 CG ASP A 61 10.839 -10.879 7.423 1.00 0.00 C ATOM 943 OD1 ASP A 61 10.809 -9.734 7.846 1.00 0.00 O ATOM 944 OD2 ASP A 61 11.345 -11.811 8.024 1.00 0.00 O ATOM 0 H ASP A 61 8.062 -10.492 7.104 1.00 0.00 H new ATOM 0 HA ASP A 61 10.044 -9.033 5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.524 -12.017 6.137 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.971 -11.434 5.337 1.00 0.00 H new ATOM 949 N PHE A 62 8.027 -10.877 3.788 1.00 0.00 N ATOM 950 CA PHE A 62 7.673 -11.117 2.350 1.00 0.00 C ATOM 951 C PHE A 62 7.111 -9.849 1.694 1.00 0.00 C ATOM 952 O PHE A 62 6.473 -9.913 0.660 1.00 0.00 O ATOM 953 CB PHE A 62 6.653 -12.261 2.250 1.00 0.00 C ATOM 954 CG PHE A 62 5.353 -11.871 2.927 1.00 0.00 C ATOM 955 CD1 PHE A 62 5.183 -12.098 4.301 1.00 0.00 C ATOM 956 CD2 PHE A 62 4.308 -11.301 2.182 1.00 0.00 C ATOM 957 CE1 PHE A 62 3.977 -11.758 4.927 1.00 0.00 C ATOM 958 CE2 PHE A 62 3.104 -10.957 2.810 1.00 0.00 C ATOM 959 CZ PHE A 62 2.938 -11.187 4.181 1.00 0.00 C ATOM 0 H PHE A 62 7.420 -11.332 4.470 1.00 0.00 H new ATOM 0 HA PHE A 62 8.582 -11.394 1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.467 -12.501 1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.058 -13.159 2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.984 -12.536 4.878 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.433 -11.128 1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.848 -11.936 5.984 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.303 -10.514 2.236 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.008 -10.924 4.664 1.00 0.00 H new ATOM 969 N LEU A 63 7.357 -8.696 2.275 1.00 0.00 N ATOM 970 CA LEU A 63 6.861 -7.403 1.685 1.00 0.00 C ATOM 971 C LEU A 63 7.981 -6.359 1.755 1.00 0.00 C ATOM 972 O LEU A 63 8.485 -6.037 2.813 1.00 0.00 O ATOM 973 CB LEU A 63 5.623 -6.923 2.486 1.00 0.00 C ATOM 974 CG LEU A 63 4.336 -7.664 2.009 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.300 -7.722 3.143 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.710 -6.922 0.814 1.00 0.00 C ATOM 0 H LEU A 63 7.885 -8.592 3.141 1.00 0.00 H new ATOM 0 HA LEU A 63 6.575 -7.547 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.779 -7.104 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.497 -5.848 2.360 1.00 0.00 H new ATOM 0 HG LEU A 63 4.617 -8.675 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.408 -8.242 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.722 -8.256 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.035 -6.709 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.812 -7.448 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.448 -5.907 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.426 -6.885 -0.007 1.00 0.00 H new ATOM 988 N THR A 64 8.361 -5.818 0.625 1.00 0.00 N ATOM 989 CA THR A 64 9.436 -4.781 0.595 1.00 0.00 C ATOM 990 C THR A 64 8.785 -3.403 0.708 1.00 0.00 C ATOM 991 O THR A 64 7.771 -3.147 0.091 1.00 0.00 O ATOM 992 CB THR A 64 10.202 -4.880 -0.731 1.00 0.00 C ATOM 993 OG1 THR A 64 10.796 -6.165 -0.833 1.00 0.00 O ATOM 994 CG2 THR A 64 11.298 -3.815 -0.778 1.00 0.00 C ATOM 0 H THR A 64 7.968 -6.053 -0.286 1.00 0.00 H new ATOM 0 HA THR A 64 10.130 -4.935 1.422 1.00 0.00 H new ATOM 0 HB THR A 64 9.510 -4.723 -1.559 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.285 -6.233 -1.680 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.838 -3.890 -1.722 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.848 -2.826 -0.696 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.990 -3.969 0.050 1.00 0.00 H new ATOM 1002 N VAL A 65 9.357 -2.515 1.496 1.00 0.00 N ATOM 1003 CA VAL A 65 8.781 -1.134 1.669 1.00 0.00 C ATOM 1004 C VAL A 65 9.771 -0.089 1.147 1.00 0.00 C ATOM 1005 O VAL A 65 10.925 -0.066 1.526 1.00 0.00 O ATOM 1006 CB VAL A 65 8.527 -0.877 3.163 1.00 0.00 C ATOM 1007 CG1 VAL A 65 7.917 0.520 3.353 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.556 -1.932 3.698 1.00 0.00 C ATOM 0 H VAL A 65 10.207 -2.690 2.032 1.00 0.00 H new ATOM 0 HA VAL A 65 7.847 -1.061 1.111 1.00 0.00 H new ATOM 0 HB VAL A 65 9.470 -0.935 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.739 0.698 4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.606 1.273 2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.973 0.582 2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.373 -1.754 4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.615 -1.871 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.988 -2.924 3.566 1.00 0.00 H new ATOM 1018 N GLN A 66 9.313 0.790 0.288 1.00 0.00 N ATOM 1019 CA GLN A 66 10.195 1.867 -0.267 1.00 0.00 C ATOM 1020 C GLN A 66 9.355 3.131 -0.464 1.00 0.00 C ATOM 1021 O GLN A 66 8.181 3.061 -0.771 1.00 0.00 O ATOM 1022 CB GLN A 66 10.786 1.425 -1.619 1.00 0.00 C ATOM 1023 CG GLN A 66 11.840 0.339 -1.388 1.00 0.00 C ATOM 1024 CD GLN A 66 12.452 -0.091 -2.724 1.00 0.00 C ATOM 1025 OE1 GLN A 66 11.871 0.251 -3.839 1.00 0.00 O flip ATOM 1026 NE2 GLN A 66 13.473 -0.750 -2.749 1.00 0.00 N flip ATOM 0 H GLN A 66 8.353 0.807 -0.057 1.00 0.00 H new ATOM 0 HA GLN A 66 11.014 2.062 0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.995 1.047 -2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.234 2.278 -2.128 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.620 0.713 -0.725 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.386 -0.520 -0.893 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.928 -1.018 -1.877 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.874 -1.035 -3.642 1.00 0.00 H new ATOM 1035 N GLU A 67 9.948 4.282 -0.281 1.00 0.00 N ATOM 1036 CA GLU A 67 9.202 5.568 -0.444 1.00 0.00 C ATOM 1037 C GLU A 67 9.439 6.108 -1.855 1.00 0.00 C ATOM 1038 O GLU A 67 10.488 5.898 -2.431 1.00 0.00 O ATOM 1039 CB GLU A 67 9.730 6.588 0.578 1.00 0.00 C ATOM 1040 CG GLU A 67 9.488 6.078 2.022 1.00 0.00 C ATOM 1041 CD GLU A 67 10.588 5.091 2.442 1.00 0.00 C ATOM 1042 OE1 GLU A 67 11.421 4.763 1.616 1.00 0.00 O ATOM 1043 OE2 GLU A 67 10.567 4.670 3.588 1.00 0.00 O ATOM 0 H GLU A 67 10.929 4.388 -0.022 1.00 0.00 H new ATOM 0 HA GLU A 67 8.137 5.401 -0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.795 6.755 0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.232 7.547 0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.467 6.922 2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.514 5.592 2.083 1.00 0.00 H new ATOM 1050 N SER A 68 8.472 6.798 -2.416 1.00 0.00 N ATOM 1051 CA SER A 68 8.622 7.362 -3.801 1.00 0.00 C ATOM 1052 C SER A 68 8.291 8.851 -3.783 1.00 0.00 C ATOM 1053 O SER A 68 7.377 9.293 -3.117 1.00 0.00 O ATOM 1054 CB SER A 68 7.654 6.648 -4.740 1.00 0.00 C ATOM 1055 OG SER A 68 7.724 7.248 -6.028 1.00 0.00 O ATOM 0 H SER A 68 7.576 6.997 -1.970 1.00 0.00 H new ATOM 0 HA SER A 68 9.647 7.219 -4.144 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.905 5.589 -4.805 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.638 6.711 -4.351 1.00 0.00 H new ATOM 0 HG SER A 68 7.120 6.779 -6.641 1.00 0.00 H new ATOM 1061 N ARG A 69 9.046 9.628 -4.517 1.00 0.00 N ATOM 1062 CA ARG A 69 8.801 11.104 -4.564 1.00 0.00 C ATOM 1063 C ARG A 69 7.594 11.402 -5.463 1.00 0.00 C ATOM 1064 O ARG A 69 7.481 10.893 -6.563 1.00 0.00 O ATOM 1065 CB ARG A 69 10.090 11.797 -5.087 1.00 0.00 C ATOM 1066 CG ARG A 69 11.251 11.609 -4.074 1.00 0.00 C ATOM 1067 CD ARG A 69 11.106 12.602 -2.887 1.00 0.00 C ATOM 1068 NE ARG A 69 12.092 12.389 -1.757 1.00 0.00 N ATOM 1069 CZ ARG A 69 12.344 11.183 -1.263 1.00 0.00 C ATOM 1070 NH1 ARG A 69 12.573 10.127 -2.007 1.00 0.00 N ATOM 1071 NH2 ARG A 69 12.580 11.073 0.012 1.00 0.00 N ATOM 0 H ARG A 69 9.826 9.303 -5.089 1.00 0.00 H new ATOM 0 HA ARG A 69 8.571 11.490 -3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.370 11.378 -6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.902 12.859 -5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.253 10.585 -3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 69 12.207 11.768 -4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.222 13.618 -3.265 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.095 12.524 -2.488 1.00 0.00 H new ATOM 0 HE ARG A 69 12.577 13.196 -1.364 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.563 10.208 -3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.761 9.225 -1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.568 11.902 0.606 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.776 10.158 0.417 1.00 0.00 H new ATOM 1085 N ASN A 70 6.672 12.215 -4.980 1.00 0.00 N ATOM 1086 CA ASN A 70 5.440 12.550 -5.773 1.00 0.00 C ATOM 1087 C ASN A 70 4.959 13.969 -5.436 1.00 0.00 C ATOM 1088 O ASN A 70 4.317 14.196 -4.428 1.00 0.00 O ATOM 1089 CB ASN A 70 4.329 11.558 -5.414 1.00 0.00 C ATOM 1090 CG ASN A 70 3.102 11.816 -6.295 1.00 0.00 C ATOM 1091 OD1 ASN A 70 2.832 12.940 -6.669 1.00 0.00 O ATOM 1092 ND2 ASN A 70 2.338 10.817 -6.644 1.00 0.00 N ATOM 0 H ASN A 70 6.724 12.662 -4.065 1.00 0.00 H new ATOM 0 HA ASN A 70 5.677 12.492 -6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.681 10.536 -5.555 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.062 11.661 -4.362 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.518 10.982 -7.228 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.561 9.872 -6.332 1.00 0.00 H new ATOM 1099 N GLY A 71 5.245 14.917 -6.285 1.00 0.00 N ATOM 1100 CA GLY A 71 4.787 16.314 -6.034 1.00 0.00 C ATOM 1101 C GLY A 71 5.347 16.823 -4.707 1.00 0.00 C ATOM 1102 O GLY A 71 6.470 16.538 -4.340 1.00 0.00 O ATOM 0 H GLY A 71 5.778 14.785 -7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.113 16.963 -6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.698 16.349 -6.015 1.00 0.00 H new ATOM 1106 N SER A 72 4.570 17.585 -3.980 1.00 0.00 N ATOM 1107 CA SER A 72 5.047 18.131 -2.671 1.00 0.00 C ATOM 1108 C SER A 72 4.800 17.115 -1.555 1.00 0.00 C ATOM 1109 O SER A 72 5.084 17.379 -0.403 1.00 0.00 O ATOM 1110 CB SER A 72 4.294 19.421 -2.348 1.00 0.00 C ATOM 1111 OG SER A 72 4.831 19.989 -1.160 1.00 0.00 O ATOM 0 H SER A 72 3.620 17.854 -4.237 1.00 0.00 H new ATOM 0 HA SER A 72 6.115 18.334 -2.744 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.383 20.125 -3.175 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.232 19.214 -2.219 1.00 0.00 H new ATOM 0 HG SER A 72 5.065 19.274 -0.532 1.00 0.00 H new ATOM 1117 N LYS A 73 4.264 15.959 -1.880 1.00 0.00 N ATOM 1118 CA LYS A 73 3.989 14.919 -0.831 1.00 0.00 C ATOM 1119 C LYS A 73 4.361 13.533 -1.372 1.00 0.00 C ATOM 1120 O LYS A 73 3.786 13.048 -2.326 1.00 0.00 O ATOM 1121 CB LYS A 73 2.492 14.965 -0.471 1.00 0.00 C ATOM 1122 CG LYS A 73 2.118 13.885 0.567 1.00 0.00 C ATOM 1123 CD LYS A 73 2.855 14.129 1.899 1.00 0.00 C ATOM 1124 CE LYS A 73 2.198 13.315 3.017 1.00 0.00 C ATOM 1125 NZ LYS A 73 2.930 13.549 4.291 1.00 0.00 N ATOM 0 H LYS A 73 4.004 15.690 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 73 4.585 15.117 0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.243 15.950 -0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.897 14.824 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.041 13.893 0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.373 12.898 0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.903 13.848 1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.832 15.190 2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.153 13.604 3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.211 12.254 2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.486 12.997 5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.921 13.253 4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.895 14.560 4.531 1.00 0.00 H new ATOM 1139 N LEU A 74 5.321 12.892 -0.753 1.00 0.00 N ATOM 1140 CA LEU A 74 5.742 11.530 -1.207 1.00 0.00 C ATOM 1141 C LEU A 74 4.671 10.511 -0.793 1.00 0.00 C ATOM 1142 O LEU A 74 3.720 10.836 -0.111 1.00 0.00 O ATOM 1143 CB LEU A 74 7.114 11.153 -0.583 1.00 0.00 C ATOM 1144 CG LEU A 74 7.252 11.720 0.843 1.00 0.00 C ATOM 1145 CD1 LEU A 74 6.073 11.268 1.722 1.00 0.00 C ATOM 1146 CD2 LEU A 74 8.569 11.223 1.455 1.00 0.00 C ATOM 0 H LEU A 74 5.834 13.255 0.051 1.00 0.00 H new ATOM 0 HA LEU A 74 5.849 11.526 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.219 10.068 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.919 11.537 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 74 7.250 12.809 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.189 11.679 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.139 11.625 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.055 10.179 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.674 11.620 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.565 10.134 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.405 11.562 0.843 1.00 0.00 H new ATOM 1158 N HIS A 75 4.816 9.275 -1.214 1.00 0.00 N ATOM 1159 CA HIS A 75 3.812 8.222 -0.851 1.00 0.00 C ATOM 1160 C HIS A 75 4.524 6.888 -0.638 1.00 0.00 C ATOM 1161 O HIS A 75 5.408 6.515 -1.386 1.00 0.00 O ATOM 1162 CB HIS A 75 2.787 8.084 -1.981 1.00 0.00 C ATOM 1163 CG HIS A 75 2.017 9.370 -2.112 1.00 0.00 C ATOM 1164 ND1 HIS A 75 2.310 10.311 -3.087 1.00 0.00 N ATOM 1165 CD2 HIS A 75 0.972 9.890 -1.390 1.00 0.00 C ATOM 1166 CE1 HIS A 75 1.459 11.340 -2.925 1.00 0.00 C ATOM 1167 NE2 HIS A 75 0.622 11.135 -1.904 1.00 0.00 N ATOM 0 H HIS A 75 5.589 8.950 -1.795 1.00 0.00 H new ATOM 0 HA HIS A 75 3.301 8.508 0.068 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.291 7.851 -2.919 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.106 7.259 -1.772 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.494 9.407 -0.551 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.453 12.224 -3.545 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -0.115 11.757 -1.573 1.00 0.00 H new ATOM 1175 N SER A 76 4.144 6.168 0.378 1.00 0.00 N ATOM 1176 CA SER A 76 4.786 4.853 0.649 1.00 0.00 C ATOM 1177 C SER A 76 4.368 3.853 -0.427 1.00 0.00 C ATOM 1178 O SER A 76 3.289 3.937 -0.981 1.00 0.00 O ATOM 1179 CB SER A 76 4.335 4.340 2.019 1.00 0.00 C ATOM 1180 OG SER A 76 4.722 2.980 2.165 1.00 0.00 O ATOM 0 H SER A 76 3.412 6.435 1.036 1.00 0.00 H new ATOM 0 HA SER A 76 5.870 4.968 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.780 4.943 2.810 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.254 4.434 2.117 1.00 0.00 H new ATOM 0 HG SER A 76 4.981 2.812 3.095 1.00 0.00 H new ATOM 1186 N GLU A 77 5.219 2.899 -0.722 1.00 0.00 N ATOM 1187 CA GLU A 77 4.903 1.860 -1.758 1.00 0.00 C ATOM 1188 C GLU A 77 5.292 0.489 -1.213 1.00 0.00 C ATOM 1189 O GLU A 77 6.196 0.364 -0.411 1.00 0.00 O ATOM 1190 CB GLU A 77 5.705 2.138 -3.032 1.00 0.00 C ATOM 1191 CG GLU A 77 5.200 3.427 -3.683 1.00 0.00 C ATOM 1192 CD GLU A 77 6.040 3.744 -4.924 1.00 0.00 C ATOM 1193 OE1 GLU A 77 6.934 2.971 -5.232 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.772 4.756 -5.550 1.00 0.00 O ATOM 0 H GLU A 77 6.133 2.794 -0.283 1.00 0.00 H new ATOM 0 HA GLU A 77 3.838 1.887 -1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.765 2.229 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.605 1.304 -3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.151 3.319 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.259 4.251 -2.972 1.00 0.00 H new ATOM 1201 N ILE A 78 4.606 -0.542 -1.648 1.00 0.00 N ATOM 1202 CA ILE A 78 4.907 -1.932 -1.172 1.00 0.00 C ATOM 1203 C ILE A 78 4.981 -2.873 -2.373 1.00 0.00 C ATOM 1204 O ILE A 78 4.361 -2.645 -3.394 1.00 0.00 O ATOM 1205 CB ILE A 78 3.793 -2.389 -0.219 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.423 -2.139 -0.868 1.00 0.00 C ATOM 1207 CG2 ILE A 78 3.881 -1.601 1.089 1.00 0.00 C ATOM 1208 CD1 ILE A 78 1.314 -2.734 0.010 1.00 0.00 C ATOM 0 H ILE A 78 3.842 -0.479 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 78 5.862 -1.946 -0.647 1.00 0.00 H new ATOM 0 HB ILE A 78 3.912 -3.453 -0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.262 -1.069 -0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.394 -2.588 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.090 -1.927 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.851 -1.777 1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.766 -0.537 0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.345 -2.553 -0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.471 -3.807 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.337 -2.264 0.993 1.00 0.00 H new ATOM 1220 N ARG A 79 5.738 -3.938 -2.257 1.00 0.00 N ATOM 1221 CA ARG A 79 5.859 -4.906 -3.389 1.00 0.00 C ATOM 1222 C ARG A 79 6.113 -6.302 -2.817 1.00 0.00 C ATOM 1223 O ARG A 79 6.660 -6.451 -1.743 1.00 0.00 O ATOM 1224 CB ARG A 79 7.031 -4.494 -4.286 1.00 0.00 C ATOM 1225 CG ARG A 79 7.048 -5.364 -5.547 1.00 0.00 C ATOM 1226 CD ARG A 79 8.182 -4.922 -6.499 1.00 0.00 C ATOM 1227 NE ARG A 79 9.502 -5.434 -6.017 1.00 0.00 N ATOM 1228 CZ ARG A 79 10.623 -4.935 -6.483 1.00 0.00 C ATOM 1229 NH1 ARG A 79 10.605 -3.890 -7.266 1.00 0.00 N ATOM 1230 NH2 ARG A 79 11.760 -5.479 -6.157 1.00 0.00 N ATOM 0 H ARG A 79 6.277 -4.177 -1.425 1.00 0.00 H new ATOM 0 HA ARG A 79 4.942 -4.910 -3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.940 -3.443 -4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.971 -4.603 -3.745 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.184 -6.410 -5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.088 -5.291 -6.058 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.986 -5.295 -7.504 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.208 -3.834 -6.562 1.00 0.00 H new ATOM 0 HE ARG A 79 9.531 -6.178 -5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.717 -3.457 -7.518 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.479 -3.507 -7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.779 -6.291 -5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.632 -5.093 -6.518 1.00 0.00 H new ATOM 1244 N LEU A 80 5.717 -7.328 -3.522 1.00 0.00 N ATOM 1245 CA LEU A 80 5.932 -8.715 -3.018 1.00 0.00 C ATOM 1246 C LEU A 80 7.381 -9.129 -3.296 1.00 0.00 C ATOM 1247 O LEU A 80 7.776 -9.341 -4.426 1.00 0.00 O ATOM 1248 CB LEU A 80 4.973 -9.668 -3.743 1.00 0.00 C ATOM 1249 CG LEU A 80 3.533 -9.128 -3.677 1.00 0.00 C ATOM 1250 CD1 LEU A 80 2.599 -10.087 -4.429 1.00 0.00 C ATOM 1251 CD2 LEU A 80 3.074 -8.989 -2.208 1.00 0.00 C ATOM 0 H LEU A 80 5.253 -7.265 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 80 5.741 -8.757 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.279 -9.781 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.019 -10.657 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 80 3.499 -8.143 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.578 -9.709 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.914 -10.161 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.641 -11.073 -3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.054 -8.606 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.109 -9.964 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.735 -8.299 -1.684 1.00 0.00 H new ATOM 1263 N ARG A 81 8.175 -9.229 -2.268 1.00 0.00 N ATOM 1264 CA ARG A 81 9.603 -9.617 -2.446 1.00 0.00 C ATOM 1265 C ARG A 81 9.698 -11.086 -2.882 1.00 0.00 C ATOM 1266 O ARG A 81 10.729 -11.542 -3.332 1.00 0.00 O ATOM 1267 CB ARG A 81 10.338 -9.420 -1.109 1.00 0.00 C ATOM 1268 CG ARG A 81 11.853 -9.512 -1.325 1.00 0.00 C ATOM 1269 CD ARG A 81 12.584 -9.284 0.003 1.00 0.00 C ATOM 1270 NE ARG A 81 12.028 -10.196 1.045 1.00 0.00 N ATOM 1271 CZ ARG A 81 12.592 -10.278 2.219 1.00 0.00 C ATOM 1272 NH1 ARG A 81 13.681 -9.607 2.476 1.00 0.00 N ATOM 1273 NH2 ARG A 81 12.068 -11.041 3.134 1.00 0.00 N ATOM 0 H ARG A 81 7.894 -9.057 -1.303 1.00 0.00 H new ATOM 0 HA ARG A 81 10.060 -8.996 -3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.081 -8.450 -0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.018 -10.177 -0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 81 12.113 -10.490 -1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.171 -8.770 -2.057 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.651 -9.467 -0.122 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.473 -8.246 0.317 1.00 0.00 H new ATOM 0 HE ARG A 81 11.203 -10.758 0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.096 -9.014 1.757 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.117 -9.675 3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.220 -11.571 2.932 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.505 -11.109 4.053 1.00 0.00 H new ATOM 1287 N HIS A 82 8.631 -11.829 -2.743 1.00 0.00 N ATOM 1288 CA HIS A 82 8.654 -13.272 -3.137 1.00 0.00 C ATOM 1289 C HIS A 82 9.814 -13.977 -2.423 1.00 0.00 C ATOM 1290 O HIS A 82 10.872 -14.180 -2.984 1.00 0.00 O ATOM 1291 CB HIS A 82 8.830 -13.388 -4.656 1.00 0.00 C ATOM 1292 CG HIS A 82 8.713 -14.828 -5.076 1.00 0.00 C ATOM 1293 ND1 HIS A 82 7.506 -15.508 -5.061 1.00 0.00 N ATOM 1294 CD2 HIS A 82 9.644 -15.727 -5.534 1.00 0.00 C ATOM 1295 CE1 HIS A 82 7.740 -16.760 -5.498 1.00 0.00 C ATOM 1296 NE2 HIS A 82 9.029 -16.945 -5.800 1.00 0.00 N ATOM 0 H HIS A 82 7.740 -11.498 -2.372 1.00 0.00 H new ATOM 0 HA HIS A 82 7.714 -13.743 -2.850 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.075 -12.789 -5.165 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.802 -12.992 -4.950 1.00 0.00 H new ATOM 0 HD2 HIS A 82 10.695 -15.519 -5.667 1.00 0.00 H new ATOM 0 HE1 HIS A 82 6.980 -17.521 -5.593 1.00 0.00 H new ATOM 0 HE2 HIS A 82 9.467 -17.797 -6.150 1.00 0.00 H new ATOM 1304 N ASP A 83 9.619 -14.343 -1.182 1.00 0.00 N ATOM 1305 CA ASP A 83 10.701 -15.029 -0.413 1.00 0.00 C ATOM 1306 C ASP A 83 10.796 -16.494 -0.848 1.00 0.00 C ATOM 1307 O ASP A 83 11.629 -17.240 -0.373 1.00 0.00 O ATOM 1308 CB ASP A 83 10.380 -14.960 1.085 1.00 0.00 C ATOM 1309 CG ASP A 83 11.565 -15.494 1.895 1.00 0.00 C ATOM 1310 OD1 ASP A 83 12.661 -15.517 1.359 1.00 0.00 O ATOM 1311 OD2 ASP A 83 11.352 -15.872 3.033 1.00 0.00 O ATOM 0 H ASP A 83 8.752 -14.195 -0.665 1.00 0.00 H new ATOM 0 HA ASP A 83 11.653 -14.535 -0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.165 -13.931 1.373 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.486 -15.545 1.302 1.00 0.00 H new ATOM 1316 N GLY A 84 9.950 -16.916 -1.748 1.00 0.00 N ATOM 1317 CA GLY A 84 9.991 -18.336 -2.215 1.00 0.00 C ATOM 1318 C GLY A 84 11.422 -18.718 -2.619 1.00 0.00 C ATOM 1319 O GLY A 84 12.144 -19.339 -1.865 1.00 0.00 O ATOM 0 H GLY A 84 9.230 -16.339 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.640 -18.998 -1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.318 -18.468 -3.062 1.00 0.00 H new ATOM 1323 N LEU A 85 11.834 -18.344 -3.802 1.00 0.00 N ATOM 1324 CA LEU A 85 13.217 -18.673 -4.268 1.00 0.00 C ATOM 1325 C LEU A 85 13.473 -20.182 -4.114 1.00 0.00 C ATOM 1326 O LEU A 85 12.783 -20.997 -4.693 1.00 0.00 O ATOM 1327 CB LEU A 85 14.234 -17.882 -3.426 1.00 0.00 C ATOM 1328 CG LEU A 85 13.906 -16.382 -3.435 1.00 0.00 C ATOM 1329 CD1 LEU A 85 14.894 -15.657 -2.513 1.00 0.00 C ATOM 1330 CD2 LEU A 85 14.008 -15.810 -4.866 1.00 0.00 C ATOM 0 H LEU A 85 11.269 -17.821 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 85 13.324 -18.402 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.230 -18.253 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 85 15.238 -18.041 -3.818 1.00 0.00 H new ATOM 0 HG LEU A 85 12.885 -16.234 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.673 -14.590 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.802 -16.050 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 85 15.911 -15.816 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 85 13.772 -14.746 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 85 15.021 -15.951 -5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.303 -16.328 -5.516 1.00 0.00 H new ATOM 1342 N GLU A 86 14.462 -20.559 -3.341 1.00 0.00 N ATOM 1343 CA GLU A 86 14.767 -22.011 -3.151 1.00 0.00 C ATOM 1344 C GLU A 86 13.786 -22.620 -2.150 1.00 0.00 C ATOM 1345 O GLU A 86 13.761 -23.814 -1.936 1.00 0.00 O ATOM 1346 CB GLU A 86 16.197 -22.168 -2.622 1.00 0.00 C ATOM 1347 CG GLU A 86 16.367 -21.376 -1.319 1.00 0.00 C ATOM 1348 CD GLU A 86 17.833 -21.426 -0.878 1.00 0.00 C ATOM 1349 OE1 GLU A 86 18.695 -21.346 -1.738 1.00 0.00 O ATOM 1350 OE2 GLU A 86 18.069 -21.544 0.314 1.00 0.00 O ATOM 0 H GLU A 86 15.073 -19.921 -2.832 1.00 0.00 H new ATOM 0 HA GLU A 86 14.672 -22.525 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.415 -23.222 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.910 -21.814 -3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.056 -20.342 -1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.728 -21.794 -0.541 1.00 0.00 H new ATOM 1357 N HIS A 87 12.973 -21.806 -1.536 1.00 0.00 N ATOM 1358 CA HIS A 87 11.984 -22.333 -0.548 1.00 0.00 C ATOM 1359 C HIS A 87 12.679 -23.256 0.460 1.00 0.00 C ATOM 1360 O HIS A 87 12.814 -24.443 0.242 1.00 0.00 O ATOM 1361 CB HIS A 87 10.899 -23.112 -1.287 1.00 0.00 C ATOM 1362 CG HIS A 87 9.847 -23.565 -0.313 1.00 0.00 C ATOM 1363 ND1 HIS A 87 9.931 -24.776 0.355 1.00 0.00 N ATOM 1364 CD2 HIS A 87 8.681 -22.982 0.113 1.00 0.00 C ATOM 1365 CE1 HIS A 87 8.844 -24.881 1.140 1.00 0.00 C ATOM 1366 NE2 HIS A 87 8.050 -23.814 1.031 1.00 0.00 N ATOM 0 H HIS A 87 12.949 -20.796 -1.675 1.00 0.00 H new ATOM 0 HA HIS A 87 11.538 -21.496 -0.010 1.00 0.00 H new ATOM 0 HB2 HIS A 87 10.449 -22.486 -2.058 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.336 -23.974 -1.792 1.00 0.00 H new ATOM 0 HD1 HIS A 87 10.680 -25.462 0.267 1.00 0.00 H new ATOM 0 HD2 HIS A 87 8.309 -22.022 -0.215 1.00 0.00 H new ATOM 0 HE1 HIS A 87 8.639 -25.726 1.781 1.00 0.00 H new ATOM 1374 N HIS A 88 13.112 -22.715 1.563 1.00 0.00 N ATOM 1375 CA HIS A 88 13.797 -23.549 2.596 1.00 0.00 C ATOM 1376 C HIS A 88 13.927 -22.748 3.893 1.00 0.00 C ATOM 1377 O HIS A 88 14.922 -22.093 4.131 1.00 0.00 O ATOM 1378 CB HIS A 88 15.189 -23.941 2.094 1.00 0.00 C ATOM 1379 CG HIS A 88 15.865 -24.819 3.113 1.00 0.00 C ATOM 1380 ND1 HIS A 88 16.972 -24.400 3.832 1.00 0.00 N ATOM 1381 CD2 HIS A 88 15.594 -26.094 3.548 1.00 0.00 C ATOM 1382 CE1 HIS A 88 17.326 -25.406 4.654 1.00 0.00 C ATOM 1383 NE2 HIS A 88 16.519 -26.463 4.519 1.00 0.00 N ATOM 0 H HIS A 88 13.022 -21.726 1.797 1.00 0.00 H new ATOM 0 HA HIS A 88 13.213 -24.450 2.783 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.109 -24.467 1.142 1.00 0.00 H new ATOM 0 HB3 HIS A 88 15.787 -23.047 1.915 1.00 0.00 H new ATOM 0 HD2 HIS A 88 14.786 -26.715 3.190 1.00 0.00 H new ATOM 0 HE1 HIS A 88 18.160 -25.364 5.339 1.00 0.00 H new ATOM 0 HE2 HIS A 88 16.570 -27.350 5.020 1.00 0.00 H new ATOM 1391 N HIS A 89 12.926 -22.791 4.739 1.00 0.00 N ATOM 1392 CA HIS A 89 12.987 -22.031 6.028 1.00 0.00 C ATOM 1393 C HIS A 89 12.140 -22.746 7.085 1.00 0.00 C ATOM 1394 O HIS A 89 11.093 -23.287 6.793 1.00 0.00 O ATOM 1395 CB HIS A 89 12.444 -20.619 5.799 1.00 0.00 C ATOM 1396 CG HIS A 89 13.342 -19.896 4.833 1.00 0.00 C ATOM 1397 ND1 HIS A 89 13.105 -19.890 3.467 1.00 0.00 N ATOM 1398 CD2 HIS A 89 14.486 -19.161 5.018 1.00 0.00 C ATOM 1399 CE1 HIS A 89 14.086 -19.174 2.888 1.00 0.00 C ATOM 1400 NE2 HIS A 89 14.955 -18.707 3.788 1.00 0.00 N ATOM 0 H HIS A 89 12.067 -23.321 4.592 1.00 0.00 H new ATOM 0 HA HIS A 89 14.018 -21.975 6.376 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.429 -20.666 5.405 1.00 0.00 H new ATOM 0 HB3 HIS A 89 12.395 -20.077 6.744 1.00 0.00 H new ATOM 0 HD2 HIS A 89 14.952 -18.965 5.972 1.00 0.00 H new ATOM 0 HE1 HIS A 89 14.161 -18.998 1.825 1.00 0.00 H new ATOM 0 HE2 HIS A 89 15.784 -18.140 3.612 1.00 0.00 H new ATOM 1408 N HIS A 90 12.590 -22.751 8.317 1.00 0.00 N ATOM 1409 CA HIS A 90 11.822 -23.433 9.409 1.00 0.00 C ATOM 1410 C HIS A 90 10.861 -22.435 10.063 1.00 0.00 C ATOM 1411 O HIS A 90 11.270 -21.440 10.630 1.00 0.00 O ATOM 1412 CB HIS A 90 12.802 -23.955 10.462 1.00 0.00 C ATOM 1413 CG HIS A 90 13.669 -25.024 9.855 1.00 0.00 C ATOM 1414 ND1 HIS A 90 13.172 -26.273 9.520 1.00 0.00 N ATOM 1415 CD2 HIS A 90 14.998 -25.045 9.509 1.00 0.00 C ATOM 1416 CE1 HIS A 90 14.185 -26.987 9.000 1.00 0.00 C ATOM 1417 NE2 HIS A 90 15.322 -26.286 8.969 1.00 0.00 N ATOM 0 H HIS A 90 13.460 -22.310 8.615 1.00 0.00 H new ATOM 0 HA HIS A 90 11.252 -24.262 8.990 1.00 0.00 H new ATOM 0 HB2 HIS A 90 13.420 -23.139 10.835 1.00 0.00 H new ATOM 0 HB3 HIS A 90 12.255 -24.356 11.315 1.00 0.00 H new ATOM 0 HD2 HIS A 90 15.687 -24.223 9.637 1.00 0.00 H new ATOM 0 HE1 HIS A 90 14.091 -28.004 8.650 1.00 0.00 H new ATOM 0 HE2 HIS A 90 16.231 -26.594 8.624 1.00 0.00 H new ATOM 1425 N HIS A 91 9.586 -22.696 9.989 1.00 0.00 N ATOM 1426 CA HIS A 91 8.592 -21.769 10.603 1.00 0.00 C ATOM 1427 C HIS A 91 8.743 -21.776 12.125 1.00 0.00 C ATOM 1428 O HIS A 91 8.721 -20.743 12.767 1.00 0.00 O ATOM 1429 CB HIS A 91 7.182 -22.223 10.226 1.00 0.00 C ATOM 1430 CG HIS A 91 6.176 -21.245 10.769 1.00 0.00 C ATOM 1431 ND1 HIS A 91 5.617 -21.382 12.029 1.00 0.00 N ATOM 1432 CD2 HIS A 91 5.617 -20.112 10.231 1.00 0.00 C ATOM 1433 CE1 HIS A 91 4.763 -20.358 12.206 1.00 0.00 C ATOM 1434 NE2 HIS A 91 4.725 -19.554 11.142 1.00 0.00 N ATOM 0 H HIS A 91 9.187 -23.514 9.528 1.00 0.00 H new ATOM 0 HA HIS A 91 8.764 -20.758 10.234 1.00 0.00 H new ATOM 0 HB2 HIS A 91 7.089 -22.292 9.142 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.990 -23.218 10.627 1.00 0.00 H new ATOM 0 HD2 HIS A 91 5.836 -19.715 9.251 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.179 -20.205 13.101 1.00 0.00 H new ATOM 0 HE2 HIS A 91 4.163 -18.711 11.022 1.00 0.00 H new ATOM 1442 N HIS A 92 8.894 -22.931 12.707 1.00 0.00 N ATOM 1443 CA HIS A 92 9.043 -23.016 14.190 1.00 0.00 C ATOM 1444 C HIS A 92 10.423 -22.490 14.595 1.00 0.00 C ATOM 1445 O HIS A 92 10.811 -22.715 15.731 1.00 0.00 O ATOM 1446 CB HIS A 92 8.903 -24.476 14.632 1.00 0.00 C ATOM 1447 CG HIS A 92 7.512 -24.961 14.329 1.00 0.00 C ATOM 1448 ND1 HIS A 92 7.168 -25.496 13.099 1.00 0.00 N ATOM 1449 CD2 HIS A 92 6.365 -24.992 15.085 1.00 0.00 C ATOM 1450 CE1 HIS A 92 5.864 -25.823 13.148 1.00 0.00 C ATOM 1451 NE2 HIS A 92 5.326 -25.536 14.335 1.00 0.00 N ATOM 1452 OXT HIS A 92 11.066 -21.870 13.765 1.00 0.00 O ATOM 0 H HIS A 92 8.921 -23.826 12.219 1.00 0.00 H new ATOM 0 HA HIS A 92 8.270 -22.415 14.669 1.00 0.00 H new ATOM 0 HB2 HIS A 92 9.636 -25.095 14.115 1.00 0.00 H new ATOM 0 HB3 HIS A 92 9.106 -24.565 15.699 1.00 0.00 H new ATOM 0 HD2 HIS A 92 6.282 -24.647 16.105 1.00 0.00 H new ATOM 0 HE1 HIS A 92 5.319 -26.264 12.327 1.00 0.00 H new ATOM 0 HE2 HIS A 92 4.361 -25.684 14.630 1.00 0.00 H new TER 1460 HIS A 92