USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 812 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 22 HIS :FLIP no HD1:sc= -0.66 F(o=-1.8!,f=-0.69) USER MOD Set 1.2: A 81 SER OG : rot -114:sc= -0.0251 USER MOD Set 2.1: A 29 ASN :FLIP amide:sc= -1.37 X(o=-4.9,f=-4.7) USER MOD Set 2.2: A 74 GLN :FLIP amide:sc= -3.36! C(o=-6.2!,f=-4.7!) USER MOD Set 3.1: A 45 HIS : no HD1:sc= -1.04! C(o=-2!,f=-3.4!) USER MOD Set 3.2: A 48 MET CE :methyl 173:sc= 0 (180deg=-0.0877) USER MOD Set 3.3: A 49 GLN :FLIP amide:sc= -0.981 F(o=-3.8!,f=-2) USER MOD Set 4.1: A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 66 GLN :FLIP amide:sc= 0 X(o=-0.11,f=0) USER MOD Set 5.1: A 20 ASN : amide:sc= -2.21! X(o=-2.2!,f=-1.7) USER MOD Set 5.2: A 30 MET CE :methyl -132:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.861! (180deg=-1.28!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -1.09 F(o=-3.2!,f=-1.1) USER MOD Single : A 13 GLN : amide:sc= -0.323 X(o=-0.32,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= -0.969 (180deg=-1.32!) USER MOD Single : A 18 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.55) USER MOD Single : A 21 GLN : amide:sc= -0.573 K(o=-0.57,f=-1.9) USER MOD Single : A 24 GLN : amide:sc= -1.14! C(o=-1.1!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -1.77! C(o=-7.4!,f=-1.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= -0.993 (180deg=-1.61!) USER MOD Single : A 58 GLN : amide:sc= -2.22! C(o=-2.2!,f=-2.4!) USER MOD Single : A 60 MET CE :methyl -149:sc= -4.93! (180deg=-9.45!) USER MOD Single : A 61 MET CE :methyl -121:sc= -0.123 (180deg=-0.722) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -3.19! C(o=-4.7!,f=-3.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.13) USER MOD Single : A 83 HIS : no HD1:sc= -3.86! C(o=-3.9!,f=-6.3!) USER MOD Single : A 84 ASN : amide:sc= -0.0465 X(o=-0.047,f=-0.38) USER MOD Single : A 86 HIS : no HE2:sc= -0.43 K(o=-0.43,f=-1.1) USER MOD Single : A 88 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.5!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS :FLIP no HD1:sc= -1.6 F(o=-2.8!,f=-1.6) USER MOD Single : A 95 HIS : no HD1:sc= -0.43 K(o=-0.43,f=-3.1!) USER MOD Single : A 101 HIS : no HE2:sc= -0.157 X(o=-0.16,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.283 -18.664 -12.521 1.00 0.00 N ATOM 2 CA MET A 1 3.388 -18.170 -11.438 1.00 0.00 C ATOM 3 C MET A 1 2.370 -17.192 -12.028 1.00 0.00 C ATOM 4 O MET A 1 2.543 -16.683 -13.117 1.00 0.00 O ATOM 5 CB MET A 1 4.223 -17.454 -10.373 1.00 0.00 C ATOM 6 CG MET A 1 4.639 -16.077 -10.890 1.00 0.00 C ATOM 7 SD MET A 1 4.986 -16.179 -12.664 1.00 0.00 S ATOM 8 CE MET A 1 6.374 -15.019 -12.692 1.00 0.00 C ATOM 0 H1 MET A 1 4.862 -19.450 -12.162 1.00 0.00 H new ATOM 0 H2 MET A 1 3.708 -18.995 -13.322 1.00 0.00 H new ATOM 0 H3 MET A 1 4.905 -17.892 -12.836 1.00 0.00 H new ATOM 0 HA MET A 1 2.865 -19.012 -10.985 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.647 -17.350 -9.454 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.106 -18.045 -10.130 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.846 -15.352 -10.705 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.522 -15.727 -10.355 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.751 -14.928 -13.710 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.040 -14.043 -12.340 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.168 -15.386 -12.042 1.00 0.00 H new ATOM 20 N TYR A 2 1.309 -16.924 -11.318 1.00 0.00 N ATOM 21 CA TYR A 2 0.286 -15.977 -11.840 1.00 0.00 C ATOM 22 C TYR A 2 0.983 -14.748 -12.427 1.00 0.00 C ATOM 23 O TYR A 2 0.944 -14.509 -13.618 1.00 0.00 O ATOM 24 CB TYR A 2 -0.638 -15.548 -10.699 1.00 0.00 C ATOM 25 CG TYR A 2 -0.229 -16.256 -9.430 1.00 0.00 C ATOM 26 CD1 TYR A 2 0.810 -15.741 -8.645 1.00 0.00 C ATOM 27 CD2 TYR A 2 -0.886 -17.427 -9.040 1.00 0.00 C ATOM 28 CE1 TYR A 2 1.191 -16.401 -7.470 1.00 0.00 C ATOM 29 CE2 TYR A 2 -0.506 -18.087 -7.865 1.00 0.00 C ATOM 30 CZ TYR A 2 0.533 -17.572 -7.079 1.00 0.00 C ATOM 31 OH TYR A 2 0.910 -18.222 -5.922 1.00 0.00 O ATOM 0 H TYR A 2 1.107 -17.320 -10.400 1.00 0.00 H new ATOM 0 HA TYR A 2 -0.302 -16.465 -12.618 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.585 -14.468 -10.560 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.673 -15.787 -10.945 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.317 -14.836 -8.945 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -1.688 -17.823 -9.646 1.00 0.00 H new ATOM 0 HE1 TYR A 2 1.994 -16.006 -6.865 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -1.013 -18.992 -7.565 1.00 0.00 H new ATOM 0 HH TYR A 2 0.351 -19.017 -5.796 1.00 0.00 H new ATOM 41 N GLY A 3 1.622 -13.966 -11.601 1.00 0.00 N ATOM 42 CA GLY A 3 2.320 -12.753 -12.111 1.00 0.00 C ATOM 43 C GLY A 3 1.439 -11.524 -11.886 1.00 0.00 C ATOM 44 O GLY A 3 1.790 -10.421 -12.257 1.00 0.00 O ATOM 0 H GLY A 3 1.691 -14.115 -10.594 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.274 -12.628 -11.600 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.540 -12.866 -13.173 1.00 0.00 H new ATOM 48 N LYS A 4 0.297 -11.704 -11.281 1.00 0.00 N ATOM 49 CA LYS A 4 -0.604 -10.544 -11.032 1.00 0.00 C ATOM 50 C LYS A 4 -0.045 -9.703 -9.887 1.00 0.00 C ATOM 51 O LYS A 4 -0.103 -8.490 -9.916 1.00 0.00 O ATOM 52 CB LYS A 4 -1.994 -11.048 -10.656 1.00 0.00 C ATOM 53 CG LYS A 4 -2.541 -11.925 -11.786 1.00 0.00 C ATOM 54 CD LYS A 4 -3.914 -11.405 -12.218 1.00 0.00 C ATOM 55 CE LYS A 4 -4.538 -12.377 -13.221 1.00 0.00 C ATOM 56 NZ LYS A 4 -5.950 -12.652 -12.832 1.00 0.00 N ATOM 0 H LYS A 4 -0.051 -12.603 -10.949 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.669 -9.936 -11.935 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.947 -11.619 -9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.663 -10.206 -10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.854 -11.916 -12.632 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.621 -12.959 -11.452 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.563 -11.297 -11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.815 -10.417 -12.667 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.502 -11.954 -14.225 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.969 -13.306 -13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.375 -13.313 -13.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.972 -13.073 -11.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.489 -11.763 -12.830 1.00 0.00 H new ATOM 70 N LEU A 5 0.496 -10.327 -8.877 1.00 0.00 N ATOM 71 CA LEU A 5 1.048 -9.530 -7.751 1.00 0.00 C ATOM 72 C LEU A 5 1.787 -8.332 -8.336 1.00 0.00 C ATOM 73 O LEU A 5 1.584 -7.205 -7.929 1.00 0.00 O ATOM 74 CB LEU A 5 2.021 -10.372 -6.922 1.00 0.00 C ATOM 75 CG LEU A 5 1.327 -11.627 -6.373 1.00 0.00 C ATOM 76 CD1 LEU A 5 -0.179 -11.393 -6.206 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.565 -12.798 -7.326 1.00 0.00 C ATOM 0 H LEU A 5 0.578 -11.339 -8.784 1.00 0.00 H new ATOM 0 HA LEU A 5 0.236 -9.204 -7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.873 -10.662 -7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.412 -9.777 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 5 1.748 -11.856 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.647 -12.297 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.344 -10.570 -5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.618 -11.145 -7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.073 -13.689 -6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.157 -12.557 -8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.635 -12.984 -7.414 1.00 0.00 H new ATOM 89 N ASN A 6 2.633 -8.562 -9.304 1.00 0.00 N ATOM 90 CA ASN A 6 3.365 -7.432 -9.926 1.00 0.00 C ATOM 91 C ASN A 6 2.376 -6.286 -10.141 1.00 0.00 C ATOM 92 O ASN A 6 2.694 -5.130 -9.940 1.00 0.00 O ATOM 93 CB ASN A 6 3.968 -7.894 -11.264 1.00 0.00 C ATOM 94 CG ASN A 6 3.275 -7.193 -12.437 1.00 0.00 C ATOM 95 OD1 ASN A 6 2.051 -7.524 -12.750 1.00 0.00 O flip ATOM 96 ND2 ASN A 6 3.855 -6.338 -13.078 1.00 0.00 N flip ATOM 0 H ASN A 6 2.846 -9.483 -9.687 1.00 0.00 H new ATOM 0 HA ASN A 6 4.178 -7.092 -9.284 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.036 -7.676 -11.283 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.861 -8.974 -11.364 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.811 -6.079 -12.834 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.386 -5.880 -13.859 1.00 0.00 H new ATOM 103 N ASP A 7 1.167 -6.602 -10.527 1.00 0.00 N ATOM 104 CA ASP A 7 0.153 -5.531 -10.726 1.00 0.00 C ATOM 105 C ASP A 7 -0.115 -4.881 -9.372 1.00 0.00 C ATOM 106 O ASP A 7 -0.314 -3.687 -9.266 1.00 0.00 O ATOM 107 CB ASP A 7 -1.139 -6.143 -11.268 1.00 0.00 C ATOM 108 CG ASP A 7 -1.868 -5.114 -12.135 1.00 0.00 C ATOM 109 OD1 ASP A 7 -1.490 -4.964 -13.285 1.00 0.00 O ATOM 110 OD2 ASP A 7 -2.793 -4.495 -11.635 1.00 0.00 O ATOM 0 H ASP A 7 0.842 -7.551 -10.712 1.00 0.00 H new ATOM 0 HA ASP A 7 0.516 -4.790 -11.438 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.914 -7.034 -11.854 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.779 -6.458 -10.443 1.00 0.00 H new ATOM 115 N LEU A 8 -0.097 -5.669 -8.332 1.00 0.00 N ATOM 116 CA LEU A 8 -0.324 -5.123 -6.967 1.00 0.00 C ATOM 117 C LEU A 8 0.948 -4.411 -6.517 1.00 0.00 C ATOM 118 O LEU A 8 0.916 -3.325 -5.972 1.00 0.00 O ATOM 119 CB LEU A 8 -0.601 -6.278 -5.999 1.00 0.00 C ATOM 120 CG LEU A 8 -2.098 -6.392 -5.714 1.00 0.00 C ATOM 121 CD1 LEU A 8 -2.609 -5.071 -5.143 1.00 0.00 C ATOM 122 CD2 LEU A 8 -2.841 -6.724 -7.012 1.00 0.00 C ATOM 0 H LEU A 8 0.067 -6.675 -8.371 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.170 -4.436 -6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.234 -7.212 -6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.059 -6.117 -5.067 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.274 -7.187 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.677 -5.151 -4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.079 -4.845 -4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.436 -4.272 -5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.909 -6.805 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.669 -5.933 -7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.474 -7.670 -7.410 1.00 0.00 H new ATOM 134 N LEU A 9 2.069 -5.037 -6.736 1.00 0.00 N ATOM 135 CA LEU A 9 3.367 -4.441 -6.322 1.00 0.00 C ATOM 136 C LEU A 9 3.583 -3.101 -7.026 1.00 0.00 C ATOM 137 O LEU A 9 3.741 -2.076 -6.393 1.00 0.00 O ATOM 138 CB LEU A 9 4.493 -5.398 -6.708 1.00 0.00 C ATOM 139 CG LEU A 9 5.719 -5.124 -5.843 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.811 -6.134 -6.185 1.00 0.00 C ATOM 141 CD2 LEU A 9 6.238 -3.712 -6.117 1.00 0.00 C ATOM 0 H LEU A 9 2.141 -5.948 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 9 3.361 -4.277 -5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.167 -6.430 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.744 -5.274 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 9 5.447 -5.213 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.690 -5.942 -5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.446 -7.143 -5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.078 -6.039 -7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.114 -3.520 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.511 -3.622 -7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.460 -2.986 -5.881 1.00 0.00 H new ATOM 153 N GLU A 10 3.604 -3.100 -8.332 1.00 0.00 N ATOM 154 CA GLU A 10 3.825 -1.824 -9.068 1.00 0.00 C ATOM 155 C GLU A 10 2.729 -0.823 -8.697 1.00 0.00 C ATOM 156 O GLU A 10 3.002 0.283 -8.273 1.00 0.00 O ATOM 157 CB GLU A 10 3.786 -2.088 -10.574 1.00 0.00 C ATOM 158 CG GLU A 10 5.178 -2.501 -11.058 1.00 0.00 C ATOM 159 CD GLU A 10 5.073 -3.124 -12.451 1.00 0.00 C ATOM 160 OE1 GLU A 10 4.652 -2.427 -13.360 1.00 0.00 O ATOM 161 OE2 GLU A 10 5.415 -4.287 -12.586 1.00 0.00 O ATOM 0 H GLU A 10 3.478 -3.925 -8.918 1.00 0.00 H new ATOM 0 HA GLU A 10 4.798 -1.414 -8.797 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.064 -2.874 -10.797 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.457 -1.193 -11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.837 -1.633 -11.085 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.619 -3.214 -10.362 1.00 0.00 H new ATOM 168 N ASP A 11 1.490 -1.199 -8.857 1.00 0.00 N ATOM 169 CA ASP A 11 0.375 -0.269 -8.519 1.00 0.00 C ATOM 170 C ASP A 11 0.553 0.262 -7.094 1.00 0.00 C ATOM 171 O ASP A 11 0.543 1.454 -6.861 1.00 0.00 O ATOM 172 CB ASP A 11 -0.956 -1.016 -8.619 1.00 0.00 C ATOM 173 CG ASP A 11 -1.211 -1.415 -10.073 1.00 0.00 C ATOM 174 OD1 ASP A 11 -0.246 -1.670 -10.776 1.00 0.00 O ATOM 175 OD2 ASP A 11 -2.368 -1.459 -10.460 1.00 0.00 O ATOM 0 H ASP A 11 1.201 -2.112 -9.208 1.00 0.00 H new ATOM 0 HA ASP A 11 0.382 0.568 -9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.935 -1.903 -7.986 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.767 -0.385 -8.257 1.00 0.00 H new ATOM 180 N LEU A 12 0.707 -0.611 -6.136 1.00 0.00 N ATOM 181 CA LEU A 12 0.875 -0.150 -4.729 1.00 0.00 C ATOM 182 C LEU A 12 2.073 0.797 -4.640 1.00 0.00 C ATOM 183 O LEU A 12 1.968 1.898 -4.138 1.00 0.00 O ATOM 184 CB LEU A 12 1.104 -1.363 -3.823 1.00 0.00 C ATOM 185 CG LEU A 12 1.562 -0.901 -2.437 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.511 0.026 -1.823 1.00 0.00 C ATOM 187 CD2 LEU A 12 1.747 -2.123 -1.535 1.00 0.00 C ATOM 0 H LEU A 12 0.724 -1.622 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.022 0.378 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.185 -1.942 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.854 -2.020 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 12 2.505 -0.362 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.844 0.351 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.374 0.896 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.435 -0.508 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.073 -1.800 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.801 -2.658 -1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.499 -2.784 -1.967 1.00 0.00 H new ATOM 199 N GLN A 13 3.212 0.381 -5.122 1.00 0.00 N ATOM 200 CA GLN A 13 4.410 1.265 -5.059 1.00 0.00 C ATOM 201 C GLN A 13 4.152 2.528 -5.887 1.00 0.00 C ATOM 202 O GLN A 13 4.809 3.536 -5.720 1.00 0.00 O ATOM 203 CB GLN A 13 5.636 0.505 -5.594 1.00 0.00 C ATOM 204 CG GLN A 13 6.035 1.023 -6.981 1.00 0.00 C ATOM 205 CD GLN A 13 7.232 0.222 -7.491 1.00 0.00 C ATOM 206 OE1 GLN A 13 7.251 -0.212 -8.627 1.00 0.00 O ATOM 207 NE2 GLN A 13 8.241 0.006 -6.693 1.00 0.00 N ATOM 0 H GLN A 13 3.365 -0.530 -5.555 1.00 0.00 H new ATOM 0 HA GLN A 13 4.605 1.557 -4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.471 0.621 -4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.413 -0.561 -5.649 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.198 0.928 -7.672 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.287 2.082 -6.928 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.225 0.370 -5.740 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.046 -0.527 -7.022 1.00 0.00 H new ATOM 216 N GLU A 14 3.194 2.485 -6.773 1.00 0.00 N ATOM 217 CA GLU A 14 2.890 3.687 -7.601 1.00 0.00 C ATOM 218 C GLU A 14 2.118 4.692 -6.750 1.00 0.00 C ATOM 219 O GLU A 14 2.572 5.794 -6.510 1.00 0.00 O ATOM 220 CB GLU A 14 2.044 3.277 -8.803 1.00 0.00 C ATOM 221 CG GLU A 14 2.634 3.884 -10.077 1.00 0.00 C ATOM 222 CD GLU A 14 1.671 3.654 -11.244 1.00 0.00 C ATOM 223 OE1 GLU A 14 0.557 4.145 -11.175 1.00 0.00 O ATOM 224 OE2 GLU A 14 2.066 2.988 -12.188 1.00 0.00 O ATOM 0 H GLU A 14 2.609 1.670 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 14 3.818 4.138 -7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.014 2.191 -8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.016 3.615 -8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.806 4.951 -9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.601 3.431 -10.295 1.00 0.00 H new ATOM 231 N VAL A 15 0.959 4.321 -6.278 1.00 0.00 N ATOM 232 CA VAL A 15 0.179 5.258 -5.435 1.00 0.00 C ATOM 233 C VAL A 15 1.140 5.903 -4.436 1.00 0.00 C ATOM 234 O VAL A 15 0.956 7.025 -4.007 1.00 0.00 O ATOM 235 CB VAL A 15 -0.921 4.479 -4.702 1.00 0.00 C ATOM 236 CG1 VAL A 15 -1.070 3.096 -5.337 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.567 4.314 -3.219 1.00 0.00 C ATOM 0 H VAL A 15 0.524 3.413 -6.441 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.293 6.032 -6.041 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.856 5.033 -4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.851 2.540 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.339 3.205 -6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.127 2.556 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.359 3.759 -2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.373 3.769 -3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.463 5.296 -2.758 1.00 0.00 H new ATOM 247 N LEU A 16 2.177 5.195 -4.081 1.00 0.00 N ATOM 248 CA LEU A 16 3.177 5.746 -3.129 1.00 0.00 C ATOM 249 C LEU A 16 4.128 6.659 -3.903 1.00 0.00 C ATOM 250 O LEU A 16 4.662 7.612 -3.370 1.00 0.00 O ATOM 251 CB LEU A 16 3.958 4.589 -2.497 1.00 0.00 C ATOM 252 CG LEU A 16 5.207 5.113 -1.780 1.00 0.00 C ATOM 253 CD1 LEU A 16 4.792 5.995 -0.602 1.00 0.00 C ATOM 254 CD2 LEU A 16 6.025 3.926 -1.263 1.00 0.00 C ATOM 0 H LEU A 16 2.374 4.251 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 16 2.684 6.314 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.322 4.057 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.247 3.874 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 16 5.807 5.700 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.682 6.366 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.205 6.838 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.193 5.411 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.915 4.293 -0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.421 3.343 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.322 3.296 -2.101 1.00 0.00 H new ATOM 266 N LYS A 17 4.340 6.375 -5.162 1.00 0.00 N ATOM 267 CA LYS A 17 5.252 7.229 -5.973 1.00 0.00 C ATOM 268 C LYS A 17 4.518 8.509 -6.379 1.00 0.00 C ATOM 269 O LYS A 17 5.116 9.556 -6.534 1.00 0.00 O ATOM 270 CB LYS A 17 5.687 6.464 -7.226 1.00 0.00 C ATOM 271 CG LYS A 17 6.497 7.389 -8.137 1.00 0.00 C ATOM 272 CD LYS A 17 5.709 7.664 -9.419 1.00 0.00 C ATOM 273 CE LYS A 17 6.387 8.790 -10.201 1.00 0.00 C ATOM 274 NZ LYS A 17 7.775 8.981 -9.695 1.00 0.00 N ATOM 0 H LYS A 17 3.921 5.590 -5.661 1.00 0.00 H new ATOM 0 HA LYS A 17 6.133 7.487 -5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.286 5.597 -6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.812 6.089 -7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.713 8.325 -7.623 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.456 6.930 -8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.659 6.762 -10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.683 7.942 -9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.406 8.549 -11.264 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.819 9.714 -10.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.286 9.636 -10.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.743 9.376 -8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.267 8.065 -9.677 1.00 0.00 H new ATOM 288 N HIS A 18 3.227 8.435 -6.547 1.00 0.00 N ATOM 289 CA HIS A 18 2.454 9.649 -6.935 1.00 0.00 C ATOM 290 C HIS A 18 1.971 10.361 -5.670 1.00 0.00 C ATOM 291 O HIS A 18 1.218 11.312 -5.728 1.00 0.00 O ATOM 292 CB HIS A 18 1.248 9.238 -7.784 1.00 0.00 C ATOM 293 CG HIS A 18 1.472 9.645 -9.214 1.00 0.00 C ATOM 294 ND1 HIS A 18 1.988 10.887 -9.561 1.00 0.00 N ATOM 295 CD2 HIS A 18 1.252 8.987 -10.401 1.00 0.00 C ATOM 296 CE1 HIS A 18 2.060 10.937 -10.904 1.00 0.00 C ATOM 297 NE2 HIS A 18 1.624 9.806 -11.461 1.00 0.00 N ATOM 0 H HIS A 18 2.673 7.586 -6.432 1.00 0.00 H new ATOM 0 HA HIS A 18 3.089 10.320 -7.514 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.098 8.160 -7.722 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.343 9.709 -7.399 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.852 7.988 -10.495 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.425 11.787 -11.461 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.574 9.588 -12.456 1.00 0.00 H new ATOM 306 N VAL A 19 2.401 9.902 -4.526 1.00 0.00 N ATOM 307 CA VAL A 19 1.971 10.542 -3.250 1.00 0.00 C ATOM 308 C VAL A 19 3.184 11.186 -2.571 1.00 0.00 C ATOM 309 O VAL A 19 3.132 12.314 -2.125 1.00 0.00 O ATOM 310 CB VAL A 19 1.371 9.473 -2.328 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.637 9.838 -0.867 1.00 0.00 C ATOM 312 CG2 VAL A 19 -0.138 9.381 -2.561 1.00 0.00 C ATOM 0 H VAL A 19 3.034 9.109 -4.420 1.00 0.00 H new ATOM 0 HA VAL A 19 1.223 11.308 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 19 1.834 8.511 -2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.208 9.075 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.712 9.897 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.181 10.802 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.562 8.621 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.599 10.345 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.330 9.112 -3.600 1.00 0.00 H new ATOM 322 N ASN A 20 4.272 10.470 -2.486 1.00 0.00 N ATOM 323 CA ASN A 20 5.487 11.029 -1.830 1.00 0.00 C ATOM 324 C ASN A 20 5.699 12.481 -2.265 1.00 0.00 C ATOM 325 O ASN A 20 6.242 13.283 -1.532 1.00 0.00 O ATOM 326 CB ASN A 20 6.707 10.196 -2.231 1.00 0.00 C ATOM 327 CG ASN A 20 6.983 9.144 -1.157 1.00 0.00 C ATOM 328 OD1 ASN A 20 7.061 7.966 -1.448 1.00 0.00 O ATOM 329 ND2 ASN A 20 7.134 9.520 0.084 1.00 0.00 N ATOM 0 H ASN A 20 4.371 9.520 -2.844 1.00 0.00 H new ATOM 0 HA ASN A 20 5.356 10.997 -0.748 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.530 9.712 -3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.577 10.842 -2.354 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.317 8.826 0.809 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.069 10.508 0.329 1.00 0.00 H new ATOM 336 N GLN A 21 5.288 12.826 -3.454 1.00 0.00 N ATOM 337 CA GLN A 21 5.485 14.227 -3.926 1.00 0.00 C ATOM 338 C GLN A 21 4.242 15.067 -3.616 1.00 0.00 C ATOM 339 O GLN A 21 4.327 16.261 -3.411 1.00 0.00 O ATOM 340 CB GLN A 21 5.739 14.225 -5.434 1.00 0.00 C ATOM 341 CG GLN A 21 7.179 13.787 -5.708 1.00 0.00 C ATOM 342 CD GLN A 21 8.147 14.783 -5.064 1.00 0.00 C ATOM 343 OE1 GLN A 21 7.809 15.933 -4.862 1.00 0.00 O ATOM 344 NE2 GLN A 21 9.343 14.387 -4.729 1.00 0.00 N ATOM 0 H GLN A 21 4.827 12.203 -4.117 1.00 0.00 H new ATOM 0 HA GLN A 21 6.342 14.660 -3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.042 13.550 -5.930 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.566 15.220 -5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.349 12.788 -5.307 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.356 13.734 -6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 21 9.627 13.422 -4.898 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.995 15.042 -4.297 1.00 0.00 H new ATOM 353 N HIS A 22 3.088 14.460 -3.584 1.00 0.00 N ATOM 354 CA HIS A 22 1.850 15.237 -3.289 1.00 0.00 C ATOM 355 C HIS A 22 1.426 14.998 -1.841 1.00 0.00 C ATOM 356 O HIS A 22 0.264 15.089 -1.501 1.00 0.00 O ATOM 357 CB HIS A 22 0.731 14.790 -4.233 1.00 0.00 C ATOM 358 CG HIS A 22 1.255 14.754 -5.642 1.00 0.00 C ATOM 359 ND1 HIS A 22 2.258 14.021 -6.229 1.00 0.00 N flip ATOM 360 CD2 HIS A 22 0.734 15.557 -6.647 1.00 0.00 C flip ATOM 361 CE1 HIS A 22 2.356 14.363 -7.572 1.00 0.00 C flip ATOM 362 NE2 HIS A 22 1.419 15.290 -7.775 1.00 0.00 N flip ATOM 0 H HIS A 22 2.948 13.463 -3.749 1.00 0.00 H new ATOM 0 HA HIS A 22 2.045 16.299 -3.435 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.367 13.805 -3.943 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.114 15.475 -4.164 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.074 16.267 -6.543 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.046 13.962 -8.299 1.00 0.00 H new ATOM 0 HE2 HIS A 22 1.243 15.741 -8.673 1.00 0.00 H new ATOM 371 N TRP A 23 2.360 14.695 -0.982 1.00 0.00 N ATOM 372 CA TRP A 23 2.008 14.453 0.446 1.00 0.00 C ATOM 373 C TRP A 23 1.911 15.786 1.184 1.00 0.00 C ATOM 374 O TRP A 23 2.619 16.728 0.888 1.00 0.00 O ATOM 375 CB TRP A 23 3.083 13.593 1.103 1.00 0.00 C ATOM 376 CG TRP A 23 2.633 13.215 2.474 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.493 14.069 3.513 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.261 11.902 2.974 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.054 13.361 4.615 1.00 0.00 N ATOM 380 CE2 TRP A 23 1.898 12.021 4.333 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.202 10.634 2.381 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.495 10.916 5.082 1.00 0.00 C ATOM 383 CZ3 TRP A 23 1.798 9.517 3.128 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.444 9.658 4.477 1.00 0.00 C ATOM 0 H TRP A 23 3.351 14.605 -1.207 1.00 0.00 H new ATOM 0 HA TRP A 23 1.049 13.937 0.494 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.266 12.699 0.507 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.024 14.140 1.153 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.692 15.130 3.486 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.868 13.779 5.527 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.469 10.515 1.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.225 11.032 6.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.760 8.544 2.661 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.132 8.796 5.048 1.00 0.00 H new ATOM 395 N GLN A 24 1.042 15.868 2.152 1.00 0.00 N ATOM 396 CA GLN A 24 0.901 17.136 2.921 1.00 0.00 C ATOM 397 C GLN A 24 0.420 16.821 4.338 1.00 0.00 C ATOM 398 O GLN A 24 0.324 15.676 4.731 1.00 0.00 O ATOM 399 CB GLN A 24 -0.112 18.051 2.228 1.00 0.00 C ATOM 400 CG GLN A 24 0.614 19.258 1.632 1.00 0.00 C ATOM 401 CD GLN A 24 1.219 20.101 2.757 1.00 0.00 C ATOM 402 OE1 GLN A 24 1.192 19.710 3.907 1.00 0.00 O ATOM 403 NE2 GLN A 24 1.766 21.252 2.473 1.00 0.00 N ATOM 0 H GLN A 24 0.423 15.112 2.444 1.00 0.00 H new ATOM 0 HA GLN A 24 1.867 17.639 2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.635 17.504 1.443 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.866 18.383 2.942 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.398 18.924 0.952 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.081 19.860 1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.789 21.581 1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.170 21.822 3.216 1.00 0.00 H new ATOM 412 N GLY A 25 0.116 17.829 5.109 1.00 0.00 N ATOM 413 CA GLY A 25 -0.362 17.589 6.500 1.00 0.00 C ATOM 414 C GLY A 25 0.777 17.008 7.341 1.00 0.00 C ATOM 415 O GLY A 25 0.637 15.975 7.964 1.00 0.00 O ATOM 0 H GLY A 25 0.178 18.810 4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.714 18.522 6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.208 16.902 6.491 1.00 0.00 H new ATOM 419 N GLY A 26 1.905 17.665 7.366 1.00 0.00 N ATOM 420 CA GLY A 26 3.048 17.149 8.169 1.00 0.00 C ATOM 421 C GLY A 26 3.959 16.302 7.278 1.00 0.00 C ATOM 422 O GLY A 26 3.710 15.134 7.052 1.00 0.00 O ATOM 0 H GLY A 26 2.083 18.536 6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.610 17.980 8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.680 16.551 9.003 1.00 0.00 H new ATOM 426 N GLN A 27 5.010 16.882 6.769 1.00 0.00 N ATOM 427 CA GLN A 27 5.935 16.113 5.891 1.00 0.00 C ATOM 428 C GLN A 27 6.820 15.202 6.745 1.00 0.00 C ATOM 429 O GLN A 27 7.810 14.672 6.282 1.00 0.00 O ATOM 430 CB GLN A 27 6.817 17.085 5.104 1.00 0.00 C ATOM 431 CG GLN A 27 7.391 16.374 3.876 1.00 0.00 C ATOM 432 CD GLN A 27 8.231 17.360 3.061 1.00 0.00 C ATOM 433 OE1 GLN A 27 8.000 17.543 1.881 1.00 0.00 O ATOM 434 NE2 GLN A 27 9.205 18.007 3.641 1.00 0.00 N ATOM 0 H GLN A 27 5.268 17.857 6.923 1.00 0.00 H new ATOM 0 HA GLN A 27 5.352 15.505 5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.234 17.953 4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.626 17.452 5.736 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.004 15.528 4.186 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.583 15.975 3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.400 17.855 4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.771 18.665 3.105 1.00 0.00 H new ATOM 443 N LYS A 28 6.474 15.016 7.990 1.00 0.00 N ATOM 444 CA LYS A 28 7.299 14.139 8.868 1.00 0.00 C ATOM 445 C LYS A 28 6.829 12.691 8.727 1.00 0.00 C ATOM 446 O LYS A 28 7.562 11.760 8.998 1.00 0.00 O ATOM 447 CB LYS A 28 7.150 14.584 10.324 1.00 0.00 C ATOM 448 CG LYS A 28 5.666 14.740 10.663 1.00 0.00 C ATOM 449 CD LYS A 28 5.401 14.181 12.061 1.00 0.00 C ATOM 450 CE LYS A 28 4.030 14.651 12.548 1.00 0.00 C ATOM 451 NZ LYS A 28 3.618 13.840 13.728 1.00 0.00 N ATOM 0 H LYS A 28 5.657 15.433 8.436 1.00 0.00 H new ATOM 0 HA LYS A 28 8.346 14.213 8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.610 13.852 10.988 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.671 15.529 10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.381 15.791 10.620 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.057 14.214 9.928 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.438 13.092 12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.177 14.514 12.750 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.069 15.707 12.815 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.295 14.551 11.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.685 14.159 14.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.565 12.837 13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.316 13.957 14.490 1.00 0.00 H new ATOM 465 N ASN A 29 5.609 12.493 8.307 1.00 0.00 N ATOM 466 CA ASN A 29 5.093 11.105 8.150 1.00 0.00 C ATOM 467 C ASN A 29 5.641 10.503 6.855 1.00 0.00 C ATOM 468 O ASN A 29 6.030 9.353 6.811 1.00 0.00 O ATOM 469 CB ASN A 29 3.563 11.133 8.091 1.00 0.00 C ATOM 470 CG ASN A 29 3.041 12.315 8.910 1.00 0.00 C ATOM 471 OD1 ASN A 29 3.201 12.319 10.205 1.00 0.00 O flip ATOM 472 ND2 ASN A 29 2.480 13.246 8.366 1.00 0.00 N flip ATOM 0 H ASN A 29 4.949 13.232 8.066 1.00 0.00 H new ATOM 0 HA ASN A 29 5.413 10.499 8.998 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.230 11.219 7.057 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.157 10.200 8.480 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.354 13.245 7.354 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.135 14.029 8.922 1.00 0.00 H new ATOM 479 N MET A 30 5.673 11.268 5.800 1.00 0.00 N ATOM 480 CA MET A 30 6.196 10.738 4.510 1.00 0.00 C ATOM 481 C MET A 30 7.374 9.801 4.783 1.00 0.00 C ATOM 482 O MET A 30 7.603 8.850 4.062 1.00 0.00 O ATOM 483 CB MET A 30 6.661 11.900 3.633 1.00 0.00 C ATOM 484 CG MET A 30 7.698 11.397 2.628 1.00 0.00 C ATOM 485 SD MET A 30 8.033 12.688 1.406 1.00 0.00 S ATOM 486 CE MET A 30 9.477 11.910 0.643 1.00 0.00 C ATOM 0 H MET A 30 5.359 12.238 5.775 1.00 0.00 H new ATOM 0 HA MET A 30 5.407 10.189 3.996 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.811 12.336 3.108 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.091 12.687 4.252 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.618 11.124 3.145 1.00 0.00 H new ATOM 0 HG3 MET A 30 7.332 10.498 2.132 1.00 0.00 H new ATOM 0 HE1 MET A 30 10.281 12.641 0.558 1.00 0.00 H new ATOM 0 HE2 MET A 30 9.809 11.075 1.260 1.00 0.00 H new ATOM 0 HE3 MET A 30 9.212 11.545 -0.349 1.00 0.00 H new ATOM 496 N ASN A 31 8.128 10.063 5.816 1.00 0.00 N ATOM 497 CA ASN A 31 9.292 9.187 6.131 1.00 0.00 C ATOM 498 C ASN A 31 8.834 8.021 7.007 1.00 0.00 C ATOM 499 O ASN A 31 9.095 6.871 6.713 1.00 0.00 O ATOM 500 CB ASN A 31 10.354 9.999 6.877 1.00 0.00 C ATOM 501 CG ASN A 31 10.341 11.442 6.371 1.00 0.00 C ATOM 502 OD1 ASN A 31 9.739 11.722 5.247 1.00 0.00 O flip ATOM 503 ND2 ASN A 31 10.885 12.325 7.005 1.00 0.00 N flip ATOM 0 H ASN A 31 7.988 10.846 6.455 1.00 0.00 H new ATOM 0 HA ASN A 31 9.714 8.799 5.204 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.158 9.976 7.949 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.339 9.557 6.724 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.355 12.107 7.883 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.871 13.284 6.659 1.00 0.00 H new ATOM 510 N LYS A 32 8.152 8.305 8.082 1.00 0.00 N ATOM 511 CA LYS A 32 7.679 7.209 8.974 1.00 0.00 C ATOM 512 C LYS A 32 6.775 6.265 8.180 1.00 0.00 C ATOM 513 O LYS A 32 6.784 5.066 8.382 1.00 0.00 O ATOM 514 CB LYS A 32 6.894 7.806 10.144 1.00 0.00 C ATOM 515 CG LYS A 32 7.866 8.470 11.120 1.00 0.00 C ATOM 516 CD LYS A 32 7.100 8.965 12.349 1.00 0.00 C ATOM 517 CE LYS A 32 8.088 9.519 13.378 1.00 0.00 C ATOM 518 NZ LYS A 32 7.909 10.994 13.493 1.00 0.00 N ATOM 0 H LYS A 32 7.902 9.248 8.381 1.00 0.00 H new ATOM 0 HA LYS A 32 8.536 6.655 9.359 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.173 8.537 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.327 7.026 10.652 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.637 7.761 11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.372 9.304 10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.388 9.738 12.060 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.524 8.149 12.785 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.925 9.045 14.346 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.110 9.288 13.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.580 11.372 14.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.085 11.438 12.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.937 11.203 13.798 1.00 0.00 H new ATOM 532 N VAL A 33 5.998 6.794 7.276 1.00 0.00 N ATOM 533 CA VAL A 33 5.098 5.926 6.467 1.00 0.00 C ATOM 534 C VAL A 33 5.909 5.258 5.355 1.00 0.00 C ATOM 535 O VAL A 33 5.721 4.097 5.048 1.00 0.00 O ATOM 536 CB VAL A 33 3.984 6.777 5.850 1.00 0.00 C ATOM 537 CG1 VAL A 33 3.349 7.655 6.931 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.572 7.666 4.754 1.00 0.00 C ATOM 0 H VAL A 33 5.948 7.790 7.063 1.00 0.00 H new ATOM 0 HA VAL A 33 4.655 5.162 7.106 1.00 0.00 H new ATOM 0 HB VAL A 33 3.224 6.123 5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.557 8.260 6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.930 7.023 7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.108 8.309 7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.780 8.272 4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.332 8.318 5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.023 7.042 3.982 1.00 0.00 H new ATOM 548 N ASP A 34 6.817 5.976 4.753 1.00 0.00 N ATOM 549 CA ASP A 34 7.641 5.374 3.667 1.00 0.00 C ATOM 550 C ASP A 34 8.112 3.986 4.109 1.00 0.00 C ATOM 551 O ASP A 34 8.200 3.069 3.317 1.00 0.00 O ATOM 552 CB ASP A 34 8.854 6.273 3.393 1.00 0.00 C ATOM 553 CG ASP A 34 10.049 5.418 2.959 1.00 0.00 C ATOM 554 OD1 ASP A 34 10.091 5.039 1.800 1.00 0.00 O ATOM 555 OD2 ASP A 34 10.901 5.161 3.792 1.00 0.00 O ATOM 0 H ASP A 34 7.024 6.952 4.966 1.00 0.00 H new ATOM 0 HA ASP A 34 7.049 5.284 2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.612 6.997 2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.107 6.840 4.289 1.00 0.00 H new ATOM 560 N HIS A 35 8.412 3.825 5.368 1.00 0.00 N ATOM 561 CA HIS A 35 8.874 2.497 5.859 1.00 0.00 C ATOM 562 C HIS A 35 7.666 1.572 6.020 1.00 0.00 C ATOM 563 O HIS A 35 7.753 0.378 5.813 1.00 0.00 O ATOM 564 CB HIS A 35 9.577 2.664 7.207 1.00 0.00 C ATOM 565 CG HIS A 35 10.570 1.550 7.391 1.00 0.00 C ATOM 566 ND1 HIS A 35 11.922 1.710 7.120 1.00 0.00 N ATOM 567 CD2 HIS A 35 10.424 0.251 7.816 1.00 0.00 C ATOM 568 CE1 HIS A 35 12.531 0.537 7.381 1.00 0.00 C ATOM 569 NE2 HIS A 35 11.662 -0.382 7.806 1.00 0.00 N ATOM 0 H HIS A 35 8.357 4.556 6.078 1.00 0.00 H new ATOM 0 HA HIS A 35 9.572 2.065 5.142 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.083 3.628 7.249 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.846 2.652 8.015 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.492 -0.207 8.112 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.590 0.362 7.261 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.864 -1.347 8.069 1.00 0.00 H new ATOM 578 N HIS A 36 6.538 2.118 6.384 1.00 0.00 N ATOM 579 CA HIS A 36 5.320 1.276 6.556 1.00 0.00 C ATOM 580 C HIS A 36 5.055 0.500 5.265 1.00 0.00 C ATOM 581 O HIS A 36 4.803 -0.689 5.281 1.00 0.00 O ATOM 582 CB HIS A 36 4.119 2.179 6.854 1.00 0.00 C ATOM 583 CG HIS A 36 3.998 2.393 8.338 1.00 0.00 C ATOM 584 ND1 HIS A 36 2.767 2.449 8.978 1.00 0.00 N ATOM 585 CD2 HIS A 36 4.941 2.576 9.320 1.00 0.00 C ATOM 586 CE1 HIS A 36 3.001 2.658 10.288 1.00 0.00 C ATOM 587 NE2 HIS A 36 4.307 2.743 10.545 1.00 0.00 N ATOM 0 H HIS A 36 6.407 3.112 6.570 1.00 0.00 H new ATOM 0 HA HIS A 36 5.471 0.579 7.380 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.238 3.137 6.348 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.206 1.725 6.467 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.010 2.588 9.164 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.228 2.746 11.037 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.748 2.898 11.451 1.00 0.00 H new ATOM 596 N LEU A 37 5.103 1.170 4.149 1.00 0.00 N ATOM 597 CA LEU A 37 4.847 0.486 2.851 1.00 0.00 C ATOM 598 C LEU A 37 6.093 -0.288 2.411 1.00 0.00 C ATOM 599 O LEU A 37 6.038 -1.477 2.165 1.00 0.00 O ATOM 600 CB LEU A 37 4.497 1.539 1.799 1.00 0.00 C ATOM 601 CG LEU A 37 2.983 1.747 1.759 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.683 3.241 1.689 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.402 1.056 0.525 1.00 0.00 C ATOM 0 H LEU A 37 5.309 2.166 4.079 1.00 0.00 H new ATOM 0 HA LEU A 37 4.021 -0.216 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.997 2.479 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.856 1.222 0.820 1.00 0.00 H new ATOM 0 HG LEU A 37 2.534 1.322 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.604 3.395 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.097 3.737 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.133 3.661 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.323 1.206 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.849 1.480 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.619 -0.011 0.569 1.00 0.00 H new ATOM 615 N GLN A 38 7.210 0.380 2.300 1.00 0.00 N ATOM 616 CA GLN A 38 8.460 -0.311 1.867 1.00 0.00 C ATOM 617 C GLN A 38 8.448 -1.761 2.357 1.00 0.00 C ATOM 618 O GLN A 38 8.861 -2.665 1.660 1.00 0.00 O ATOM 619 CB GLN A 38 9.673 0.413 2.452 1.00 0.00 C ATOM 620 CG GLN A 38 10.423 1.141 1.334 1.00 0.00 C ATOM 621 CD GLN A 38 11.762 1.656 1.865 1.00 0.00 C ATOM 622 OE1 GLN A 38 11.845 2.063 3.102 1.00 0.00 O flip ATOM 623 NE2 GLN A 38 12.742 1.689 1.147 1.00 0.00 N flip ATOM 0 H GLN A 38 7.311 1.377 2.491 1.00 0.00 H new ATOM 0 HA GLN A 38 8.517 -0.299 0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.353 1.125 3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.334 -0.301 2.942 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.589 0.466 0.494 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.824 1.972 0.962 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.677 1.371 0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.630 2.035 1.511 1.00 0.00 H new ATOM 632 N ASN A 39 7.976 -1.990 3.552 1.00 0.00 N ATOM 633 CA ASN A 39 7.937 -3.382 4.079 1.00 0.00 C ATOM 634 C ASN A 39 6.790 -4.144 3.413 1.00 0.00 C ATOM 635 O ASN A 39 6.943 -5.277 3.000 1.00 0.00 O ATOM 636 CB ASN A 39 7.724 -3.351 5.594 1.00 0.00 C ATOM 637 CG ASN A 39 8.783 -4.221 6.275 1.00 0.00 C ATOM 638 OD1 ASN A 39 8.695 -5.432 6.259 1.00 0.00 O ATOM 639 ND2 ASN A 39 9.791 -3.650 6.877 1.00 0.00 N ATOM 0 H ASN A 39 7.617 -1.275 4.184 1.00 0.00 H new ATOM 0 HA ASN A 39 8.881 -3.882 3.860 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.789 -2.326 5.960 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.726 -3.715 5.839 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.503 -4.221 7.333 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.867 -2.633 6.892 1.00 0.00 H new ATOM 646 N VAL A 40 5.642 -3.531 3.297 1.00 0.00 N ATOM 647 CA VAL A 40 4.495 -4.225 2.649 1.00 0.00 C ATOM 648 C VAL A 40 4.835 -4.500 1.184 1.00 0.00 C ATOM 649 O VAL A 40 4.910 -5.636 0.762 1.00 0.00 O ATOM 650 CB VAL A 40 3.246 -3.344 2.733 1.00 0.00 C ATOM 651 CG1 VAL A 40 2.074 -4.051 2.047 1.00 0.00 C ATOM 652 CG2 VAL A 40 2.898 -3.099 4.203 1.00 0.00 C ATOM 0 H VAL A 40 5.451 -2.583 3.622 1.00 0.00 H new ATOM 0 HA VAL A 40 4.302 -5.168 3.161 1.00 0.00 H new ATOM 0 HB VAL A 40 3.438 -2.393 2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.185 -3.423 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.320 -4.232 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.881 -5.002 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.009 -2.472 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.706 -4.052 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.731 -2.598 4.696 1.00 0.00 H new ATOM 662 N ILE A 41 5.050 -3.475 0.401 1.00 0.00 N ATOM 663 CA ILE A 41 5.393 -3.707 -1.030 1.00 0.00 C ATOM 664 C ILE A 41 6.457 -4.800 -1.109 1.00 0.00 C ATOM 665 O ILE A 41 6.697 -5.375 -2.152 1.00 0.00 O ATOM 666 CB ILE A 41 5.934 -2.424 -1.660 1.00 0.00 C ATOM 667 CG1 ILE A 41 4.788 -1.432 -1.855 1.00 0.00 C ATOM 668 CG2 ILE A 41 6.543 -2.758 -3.019 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.350 -0.015 -1.960 1.00 0.00 C ATOM 0 H ILE A 41 5.003 -2.497 0.688 1.00 0.00 H new ATOM 0 HA ILE A 41 4.498 -4.012 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 41 6.691 -1.985 -1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.228 -1.680 -2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.091 -1.497 -1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.932 -1.849 -3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.354 -3.474 -2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.778 -3.190 -3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.532 0.692 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.890 0.231 -1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.029 0.045 -2.810 1.00 0.00 H new ATOM 681 N GLU A 42 7.091 -5.095 -0.007 1.00 0.00 N ATOM 682 CA GLU A 42 8.132 -6.156 -0.008 1.00 0.00 C ATOM 683 C GLU A 42 7.459 -7.508 0.219 1.00 0.00 C ATOM 684 O GLU A 42 7.936 -8.533 -0.225 1.00 0.00 O ATOM 685 CB GLU A 42 9.134 -5.890 1.116 1.00 0.00 C ATOM 686 CG GLU A 42 10.502 -5.559 0.517 1.00 0.00 C ATOM 687 CD GLU A 42 11.343 -4.810 1.552 1.00 0.00 C ATOM 688 OE1 GLU A 42 10.910 -4.728 2.691 1.00 0.00 O ATOM 689 OE2 GLU A 42 12.405 -4.332 1.190 1.00 0.00 O ATOM 0 H GLU A 42 6.931 -4.645 0.894 1.00 0.00 H new ATOM 0 HA GLU A 42 8.657 -6.159 -0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.788 -5.064 1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.211 -6.764 1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.010 -6.475 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.381 -4.950 -0.379 1.00 0.00 H new ATOM 696 N ASP A 43 6.350 -7.517 0.906 1.00 0.00 N ATOM 697 CA ASP A 43 5.645 -8.803 1.159 1.00 0.00 C ATOM 698 C ASP A 43 4.865 -9.200 -0.096 1.00 0.00 C ATOM 699 O ASP A 43 4.346 -10.293 -0.200 1.00 0.00 O ATOM 700 CB ASP A 43 4.683 -8.633 2.336 1.00 0.00 C ATOM 701 CG ASP A 43 4.222 -10.009 2.823 1.00 0.00 C ATOM 702 OD1 ASP A 43 4.549 -10.986 2.171 1.00 0.00 O ATOM 703 OD2 ASP A 43 3.546 -10.060 3.837 1.00 0.00 O ATOM 0 H ASP A 43 5.903 -6.690 1.302 1.00 0.00 H new ATOM 0 HA ASP A 43 6.369 -9.582 1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.175 -8.095 3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.823 -8.036 2.033 1.00 0.00 H new ATOM 708 N ILE A 44 4.787 -8.315 -1.055 1.00 0.00 N ATOM 709 CA ILE A 44 4.050 -8.633 -2.310 1.00 0.00 C ATOM 710 C ILE A 44 5.006 -9.298 -3.299 1.00 0.00 C ATOM 711 O ILE A 44 4.768 -10.395 -3.760 1.00 0.00 O ATOM 712 CB ILE A 44 3.505 -7.342 -2.918 1.00 0.00 C ATOM 713 CG1 ILE A 44 2.400 -6.784 -2.014 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.928 -7.636 -4.304 1.00 0.00 C ATOM 715 CD1 ILE A 44 2.310 -5.261 -2.162 1.00 0.00 C ATOM 0 H ILE A 44 5.203 -7.384 -1.022 1.00 0.00 H new ATOM 0 HA ILE A 44 3.223 -9.308 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 44 4.309 -6.612 -3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.444 -7.239 -2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.605 -7.044 -0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.539 -6.715 -4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.711 -8.038 -4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.122 -8.365 -4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.521 -4.878 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.262 -4.811 -1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.083 -5.009 -3.198 1.00 0.00 H new ATOM 727 N HIS A 45 6.093 -8.651 -3.624 1.00 0.00 N ATOM 728 CA HIS A 45 7.056 -9.272 -4.571 1.00 0.00 C ATOM 729 C HIS A 45 7.410 -10.661 -4.041 1.00 0.00 C ATOM 730 O HIS A 45 7.725 -11.567 -4.786 1.00 0.00 O ATOM 731 CB HIS A 45 8.313 -8.396 -4.681 1.00 0.00 C ATOM 732 CG HIS A 45 9.446 -8.999 -3.893 1.00 0.00 C ATOM 733 ND1 HIS A 45 10.167 -10.096 -4.348 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.995 -8.668 -2.678 1.00 0.00 C ATOM 735 CE1 HIS A 45 11.101 -10.382 -3.420 1.00 0.00 C ATOM 736 NE2 HIS A 45 11.037 -9.541 -2.386 1.00 0.00 N ATOM 0 H HIS A 45 6.352 -7.728 -3.277 1.00 0.00 H new ATOM 0 HA HIS A 45 6.618 -9.358 -5.565 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.603 -8.295 -5.727 1.00 0.00 H new ATOM 0 HB3 HIS A 45 8.098 -7.393 -4.311 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.668 -7.855 -2.047 1.00 0.00 H new ATOM 0 HE1 HIS A 45 11.812 -11.191 -3.503 1.00 0.00 H new ATOM 0 HE2 HIS A 45 11.629 -9.539 -1.555 1.00 0.00 H new ATOM 745 N ASP A 46 7.351 -10.830 -2.747 1.00 0.00 N ATOM 746 CA ASP A 46 7.667 -12.154 -2.148 1.00 0.00 C ATOM 747 C ASP A 46 6.408 -13.026 -2.157 1.00 0.00 C ATOM 748 O ASP A 46 6.435 -14.174 -1.761 1.00 0.00 O ATOM 749 CB ASP A 46 8.149 -11.960 -0.709 1.00 0.00 C ATOM 750 CG ASP A 46 8.735 -13.271 -0.187 1.00 0.00 C ATOM 751 OD1 ASP A 46 9.869 -13.566 -0.525 1.00 0.00 O ATOM 752 OD2 ASP A 46 8.040 -13.959 0.543 1.00 0.00 O ATOM 0 H ASP A 46 7.096 -10.103 -2.078 1.00 0.00 H new ATOM 0 HA ASP A 46 8.451 -12.642 -2.727 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.901 -11.172 -0.669 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.320 -11.642 -0.076 1.00 0.00 H new ATOM 757 N PHE A 47 5.304 -12.490 -2.608 1.00 0.00 N ATOM 758 CA PHE A 47 4.046 -13.288 -2.645 1.00 0.00 C ATOM 759 C PHE A 47 4.067 -14.185 -3.882 1.00 0.00 C ATOM 760 O PHE A 47 3.420 -15.212 -3.928 1.00 0.00 O ATOM 761 CB PHE A 47 2.844 -12.339 -2.706 1.00 0.00 C ATOM 762 CG PHE A 47 1.554 -13.135 -2.688 1.00 0.00 C ATOM 763 CD1 PHE A 47 1.172 -13.894 -3.805 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.738 -13.115 -1.549 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.021 -14.629 -3.778 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.453 -13.851 -1.525 1.00 0.00 C ATOM 767 CZ PHE A 47 -0.831 -14.608 -2.639 1.00 0.00 C ATOM 0 H PHE A 47 5.221 -11.533 -2.952 1.00 0.00 H new ATOM 0 HA PHE A 47 3.966 -13.904 -1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.869 -11.652 -1.860 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.894 -11.733 -3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.797 -13.912 -4.685 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.028 -12.531 -0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.315 -15.212 -4.638 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.080 -13.834 -0.646 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.749 -15.176 -2.619 1.00 0.00 H new ATOM 777 N MET A 48 4.813 -13.806 -4.885 1.00 0.00 N ATOM 778 CA MET A 48 4.884 -14.638 -6.118 1.00 0.00 C ATOM 779 C MET A 48 5.919 -15.747 -5.918 1.00 0.00 C ATOM 780 O MET A 48 6.126 -16.580 -6.779 1.00 0.00 O ATOM 781 CB MET A 48 5.294 -13.766 -7.307 1.00 0.00 C ATOM 782 CG MET A 48 6.551 -12.970 -6.949 1.00 0.00 C ATOM 783 SD MET A 48 7.360 -12.403 -8.466 1.00 0.00 S ATOM 784 CE MET A 48 8.974 -12.030 -7.738 1.00 0.00 C ATOM 0 H MET A 48 5.376 -12.956 -4.902 1.00 0.00 H new ATOM 0 HA MET A 48 3.907 -15.078 -6.316 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.483 -14.390 -8.181 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.483 -13.086 -7.570 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.288 -12.117 -6.324 1.00 0.00 H new ATOM 0 HG3 MET A 48 7.235 -13.591 -6.370 1.00 0.00 H new ATOM 0 HE1 MET A 48 9.680 -11.777 -8.529 1.00 0.00 H new ATOM 0 HE2 MET A 48 8.878 -11.187 -7.053 1.00 0.00 H new ATOM 0 HE3 MET A 48 9.337 -12.901 -7.193 1.00 0.00 H new ATOM 794 N GLN A 49 6.569 -15.763 -4.788 1.00 0.00 N ATOM 795 CA GLN A 49 7.590 -16.816 -4.524 1.00 0.00 C ATOM 796 C GLN A 49 7.420 -17.328 -3.095 1.00 0.00 C ATOM 797 O GLN A 49 7.530 -18.508 -2.829 1.00 0.00 O ATOM 798 CB GLN A 49 8.989 -16.223 -4.694 1.00 0.00 C ATOM 799 CG GLN A 49 9.338 -15.377 -3.468 1.00 0.00 C ATOM 800 CD GLN A 49 10.358 -14.312 -3.856 1.00 0.00 C ATOM 801 OE1 GLN A 49 9.934 -13.173 -4.326 1.00 0.00 O flip ATOM 802 NE2 GLN A 49 11.549 -14.515 -3.731 1.00 0.00 N flip ATOM 0 H GLN A 49 6.437 -15.090 -4.033 1.00 0.00 H new ATOM 0 HA GLN A 49 7.461 -17.640 -5.226 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.721 -17.021 -4.819 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.029 -15.611 -5.595 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.439 -14.906 -3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.742 -16.011 -2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.878 -15.407 -3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.220 -13.793 -3.994 1.00 0.00 H new ATOM 811 N GLY A 50 7.148 -16.446 -2.173 1.00 0.00 N ATOM 812 CA GLY A 50 6.966 -16.879 -0.761 1.00 0.00 C ATOM 813 C GLY A 50 5.802 -17.867 -0.690 1.00 0.00 C ATOM 814 O GLY A 50 5.426 -18.327 0.369 1.00 0.00 O ATOM 0 H GLY A 50 7.044 -15.445 -2.337 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.879 -17.345 -0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 50 6.767 -16.016 -0.125 1.00 0.00 H new ATOM 818 N GLY A 51 5.228 -18.192 -1.816 1.00 0.00 N ATOM 819 CA GLY A 51 4.087 -19.151 -1.822 1.00 0.00 C ATOM 820 C GLY A 51 2.769 -18.380 -1.931 1.00 0.00 C ATOM 821 O GLY A 51 2.045 -18.503 -2.898 1.00 0.00 O ATOM 0 H GLY A 51 5.500 -17.835 -2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.185 -19.843 -2.658 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.096 -19.749 -0.910 1.00 0.00 H new ATOM 825 N GLY A 52 2.450 -17.590 -0.943 1.00 0.00 N ATOM 826 CA GLY A 52 1.177 -16.816 -0.987 1.00 0.00 C ATOM 827 C GLY A 52 0.361 -17.132 0.266 1.00 0.00 C ATOM 828 O GLY A 52 -0.764 -16.699 0.417 1.00 0.00 O ATOM 0 H GLY A 52 3.016 -17.447 -0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.387 -15.748 -1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.610 -17.074 -1.881 1.00 0.00 H new ATOM 832 N SER A 53 0.929 -17.887 1.165 1.00 0.00 N ATOM 833 CA SER A 53 0.206 -18.244 2.416 1.00 0.00 C ATOM 834 C SER A 53 -0.696 -17.084 2.845 1.00 0.00 C ATOM 835 O SER A 53 -0.253 -15.962 2.988 1.00 0.00 O ATOM 836 CB SER A 53 1.225 -18.528 3.520 1.00 0.00 C ATOM 837 OG SER A 53 1.236 -19.921 3.802 1.00 0.00 O ATOM 0 H SER A 53 1.869 -18.274 1.085 1.00 0.00 H new ATOM 0 HA SER A 53 -0.407 -19.128 2.240 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.217 -18.201 3.208 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.971 -17.965 4.418 1.00 0.00 H new ATOM 0 HG SER A 53 1.890 -20.107 4.508 1.00 0.00 H new ATOM 843 N GLY A 54 -1.956 -17.346 3.060 1.00 0.00 N ATOM 844 CA GLY A 54 -2.878 -16.257 3.490 1.00 0.00 C ATOM 845 C GLY A 54 -2.365 -15.655 4.799 1.00 0.00 C ATOM 846 O GLY A 54 -2.697 -14.543 5.155 1.00 0.00 O ATOM 0 H GLY A 54 -2.386 -18.265 2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.937 -15.488 2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.886 -16.649 3.626 1.00 0.00 H new ATOM 850 N GLY A 55 -1.546 -16.380 5.512 1.00 0.00 N ATOM 851 CA GLY A 55 -0.999 -15.847 6.787 1.00 0.00 C ATOM 852 C GLY A 55 0.124 -14.865 6.463 1.00 0.00 C ATOM 853 O GLY A 55 0.519 -14.058 7.282 1.00 0.00 O ATOM 0 H GLY A 55 -1.233 -17.319 5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.784 -15.349 7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.623 -16.661 7.407 1.00 0.00 H new ATOM 857 N LYS A 56 0.633 -14.923 5.263 1.00 0.00 N ATOM 858 CA LYS A 56 1.722 -13.992 4.868 1.00 0.00 C ATOM 859 C LYS A 56 1.108 -12.639 4.510 1.00 0.00 C ATOM 860 O LYS A 56 1.560 -11.602 4.953 1.00 0.00 O ATOM 861 CB LYS A 56 2.464 -14.555 3.654 1.00 0.00 C ATOM 862 CG LYS A 56 3.730 -13.733 3.406 1.00 0.00 C ATOM 863 CD LYS A 56 4.868 -14.275 4.272 1.00 0.00 C ATOM 864 CE LYS A 56 5.842 -15.064 3.397 1.00 0.00 C ATOM 865 NZ LYS A 56 5.075 -15.904 2.435 1.00 0.00 N ATOM 0 H LYS A 56 0.339 -15.578 4.538 1.00 0.00 H new ATOM 0 HA LYS A 56 2.425 -13.874 5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.723 -15.600 3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.820 -14.526 2.775 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.006 -13.780 2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.547 -12.684 3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.388 -13.453 4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.468 -14.915 5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.498 -14.381 2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.479 -15.693 4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.687 -16.662 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.255 -16.323 2.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.747 -15.314 1.644 1.00 0.00 H new ATOM 879 N LEU A 57 0.071 -12.646 3.718 1.00 0.00 N ATOM 880 CA LEU A 57 -0.585 -11.367 3.337 1.00 0.00 C ATOM 881 C LEU A 57 -0.999 -10.627 4.608 1.00 0.00 C ATOM 882 O LEU A 57 -0.654 -9.481 4.818 1.00 0.00 O ATOM 883 CB LEU A 57 -1.834 -11.665 2.505 1.00 0.00 C ATOM 884 CG LEU A 57 -2.126 -10.499 1.557 1.00 0.00 C ATOM 885 CD1 LEU A 57 -3.539 -10.648 0.991 1.00 0.00 C ATOM 886 CD2 LEU A 57 -2.029 -9.174 2.318 1.00 0.00 C ATOM 0 H LEU A 57 -0.350 -13.485 3.318 1.00 0.00 H new ATOM 0 HA LEU A 57 0.106 -10.757 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.689 -12.581 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.687 -11.831 3.163 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.398 -10.506 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.750 -9.819 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.615 -11.589 0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.261 -10.643 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.238 -8.348 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.755 -9.167 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.025 -9.062 2.727 1.00 0.00 H new ATOM 898 N GLN A 58 -1.747 -11.280 5.455 1.00 0.00 N ATOM 899 CA GLN A 58 -2.196 -10.626 6.713 1.00 0.00 C ATOM 900 C GLN A 58 -0.981 -10.106 7.482 1.00 0.00 C ATOM 901 O GLN A 58 -1.105 -9.311 8.392 1.00 0.00 O ATOM 902 CB GLN A 58 -2.961 -11.638 7.566 1.00 0.00 C ATOM 903 CG GLN A 58 -4.419 -11.692 7.098 1.00 0.00 C ATOM 904 CD GLN A 58 -4.475 -11.526 5.576 1.00 0.00 C ATOM 905 OE1 GLN A 58 -4.253 -12.469 4.843 1.00 0.00 O ATOM 906 NE2 GLN A 58 -4.766 -10.359 5.065 1.00 0.00 N ATOM 0 H GLN A 58 -2.066 -12.240 5.328 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.852 -9.788 6.476 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.503 -12.623 7.481 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.914 -11.354 8.617 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.870 -12.641 7.388 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.996 -10.904 7.582 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.953 -9.566 5.679 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.806 -10.241 4.053 1.00 0.00 H new ATOM 915 N GLU A 59 0.195 -10.537 7.117 1.00 0.00 N ATOM 916 CA GLU A 59 1.414 -10.051 7.823 1.00 0.00 C ATOM 917 C GLU A 59 1.679 -8.606 7.403 1.00 0.00 C ATOM 918 O GLU A 59 2.040 -7.770 8.206 1.00 0.00 O ATOM 919 CB GLU A 59 2.613 -10.923 7.443 1.00 0.00 C ATOM 920 CG GLU A 59 3.771 -10.642 8.402 1.00 0.00 C ATOM 921 CD GLU A 59 5.078 -10.536 7.611 1.00 0.00 C ATOM 922 OE1 GLU A 59 5.101 -9.798 6.639 1.00 0.00 O ATOM 923 OE2 GLU A 59 6.032 -11.194 7.991 1.00 0.00 O ATOM 0 H GLU A 59 0.364 -11.203 6.363 1.00 0.00 H new ATOM 0 HA GLU A 59 1.264 -10.105 8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.338 -11.977 7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.917 -10.715 6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.588 -9.716 8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.845 -11.439 9.142 1.00 0.00 H new ATOM 930 N MET A 60 1.495 -8.308 6.146 1.00 0.00 N ATOM 931 CA MET A 60 1.726 -6.919 5.663 1.00 0.00 C ATOM 932 C MET A 60 0.477 -6.080 5.934 1.00 0.00 C ATOM 933 O MET A 60 0.555 -4.890 6.172 1.00 0.00 O ATOM 934 CB MET A 60 2.009 -6.945 4.160 1.00 0.00 C ATOM 935 CG MET A 60 0.938 -7.777 3.454 1.00 0.00 C ATOM 936 SD MET A 60 0.927 -7.370 1.687 1.00 0.00 S ATOM 937 CE MET A 60 1.440 -8.989 1.058 1.00 0.00 C ATOM 0 H MET A 60 1.194 -8.970 5.431 1.00 0.00 H new ATOM 0 HA MET A 60 2.579 -6.484 6.184 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.017 -5.930 3.763 1.00 0.00 H new ATOM 0 HB3 MET A 60 2.996 -7.368 3.972 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.137 -8.840 3.592 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.040 -7.577 3.891 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.010 -8.858 0.138 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.061 -9.488 1.802 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.558 -9.596 0.854 1.00 0.00 H new ATOM 947 N MET A 61 -0.678 -6.690 5.904 1.00 0.00 N ATOM 948 CA MET A 61 -1.928 -5.922 6.164 1.00 0.00 C ATOM 949 C MET A 61 -1.727 -5.052 7.404 1.00 0.00 C ATOM 950 O MET A 61 -2.312 -3.995 7.536 1.00 0.00 O ATOM 951 CB MET A 61 -3.091 -6.890 6.389 1.00 0.00 C ATOM 952 CG MET A 61 -3.123 -7.335 7.853 1.00 0.00 C ATOM 953 SD MET A 61 -4.115 -6.167 8.816 1.00 0.00 S ATOM 954 CE MET A 61 -5.741 -6.711 8.234 1.00 0.00 C ATOM 0 H MET A 61 -0.809 -7.683 5.711 1.00 0.00 H new ATOM 0 HA MET A 61 -2.158 -5.289 5.307 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.033 -6.408 6.126 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.984 -7.758 5.738 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.545 -8.337 7.931 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.110 -7.384 8.252 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.257 -5.875 7.762 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.618 -7.517 7.510 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.329 -7.069 9.079 1.00 0.00 H new ATOM 964 N LYS A 62 -0.891 -5.483 8.309 1.00 0.00 N ATOM 965 CA LYS A 62 -0.640 -4.672 9.531 1.00 0.00 C ATOM 966 C LYS A 62 -0.171 -3.285 9.103 1.00 0.00 C ATOM 967 O LYS A 62 -0.741 -2.280 9.475 1.00 0.00 O ATOM 968 CB LYS A 62 0.450 -5.338 10.373 1.00 0.00 C ATOM 969 CG LYS A 62 -0.194 -6.145 11.501 1.00 0.00 C ATOM 970 CD LYS A 62 0.894 -6.641 12.456 1.00 0.00 C ATOM 971 CE LYS A 62 0.471 -6.369 13.900 1.00 0.00 C ATOM 972 NZ LYS A 62 1.328 -7.161 14.828 1.00 0.00 N ATOM 0 H LYS A 62 -0.373 -6.360 8.254 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.553 -4.596 10.122 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.059 -5.991 9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.116 -4.582 10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.913 -5.528 12.040 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.745 -6.991 11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.061 -7.708 12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.837 -6.138 12.242 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.562 -5.306 14.122 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.577 -6.635 14.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.040 -6.976 15.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.220 -8.174 14.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.323 -6.886 14.701 1.00 0.00 H new ATOM 986 N GLU A 63 0.865 -3.228 8.311 1.00 0.00 N ATOM 987 CA GLU A 63 1.374 -1.918 7.844 1.00 0.00 C ATOM 988 C GLU A 63 0.455 -1.388 6.742 1.00 0.00 C ATOM 989 O GLU A 63 0.158 -0.213 6.676 1.00 0.00 O ATOM 990 CB GLU A 63 2.788 -2.102 7.296 1.00 0.00 C ATOM 991 CG GLU A 63 3.800 -1.584 8.320 1.00 0.00 C ATOM 992 CD GLU A 63 5.193 -2.118 7.980 1.00 0.00 C ATOM 993 OE1 GLU A 63 5.781 -1.622 7.034 1.00 0.00 O ATOM 994 OE2 GLU A 63 5.648 -3.013 8.673 1.00 0.00 O ATOM 0 H GLU A 63 1.380 -4.039 7.969 1.00 0.00 H new ATOM 0 HA GLU A 63 1.394 -1.206 8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.974 -3.155 7.085 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.898 -1.564 6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.807 -0.494 8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.513 -1.901 9.323 1.00 0.00 H new ATOM 1001 N PHE A 64 0.002 -2.255 5.874 1.00 0.00 N ATOM 1002 CA PHE A 64 -0.898 -1.816 4.768 1.00 0.00 C ATOM 1003 C PHE A 64 -2.084 -1.035 5.346 1.00 0.00 C ATOM 1004 O PHE A 64 -2.299 0.116 5.023 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.425 -3.049 4.025 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.391 -2.813 2.530 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.690 -1.548 2.004 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -1.061 -3.867 1.669 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.657 -1.343 0.618 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -1.030 -3.658 0.285 1.00 0.00 C ATOM 1011 CZ PHE A 64 -1.327 -2.398 -0.239 1.00 0.00 C ATOM 0 H PHE A 64 0.218 -3.252 5.884 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.341 -1.178 4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.820 -3.920 4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.445 -3.266 4.343 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.945 -0.733 2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.830 -4.842 2.073 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.887 -0.369 0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.776 -4.472 -0.378 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.302 -2.238 -1.307 1.00 0.00 H new ATOM 1021 N GLN A 65 -2.858 -1.661 6.192 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.040 -0.970 6.784 1.00 0.00 C ATOM 1023 C GLN A 65 -3.587 0.187 7.677 1.00 0.00 C ATOM 1024 O GLN A 65 -4.379 1.019 8.072 1.00 0.00 O ATOM 1025 CB GLN A 65 -4.848 -1.967 7.616 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.155 -1.313 8.068 1.00 0.00 C ATOM 1027 CD GLN A 65 -6.946 -0.857 6.841 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -6.723 -1.429 5.689 1.00 0.00 O flip ATOM 1029 NE2 GLN A 65 -7.775 0.027 6.931 1.00 0.00 N flip ATOM 0 H GLN A 65 -2.722 -2.624 6.499 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.658 -0.574 5.978 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.060 -2.860 7.028 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.270 -2.286 8.483 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.745 -2.019 8.653 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.944 -0.462 8.715 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.949 0.473 7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.297 0.322 6.106 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.324 0.260 7.995 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.848 1.380 8.854 1.00 0.00 C ATOM 1040 C GLN A 66 -1.679 2.617 7.981 1.00 0.00 C ATOM 1041 O GLN A 66 -2.000 3.718 8.374 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.505 1.019 9.490 1.00 0.00 C ATOM 1043 CG GLN A 66 -0.736 0.087 10.681 1.00 0.00 C ATOM 1044 CD GLN A 66 -0.738 0.902 11.976 1.00 0.00 C ATOM 1045 OE1 GLN A 66 0.338 1.549 12.329 1.00 0.00 O flip ATOM 1046 NE2 GLN A 66 -1.732 0.950 12.674 1.00 0.00 N flip ATOM 0 H GLN A 66 -1.606 -0.402 7.700 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.571 1.570 9.647 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.138 0.535 8.755 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.009 1.923 9.817 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.685 -0.437 10.567 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.045 -0.673 10.718 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.574 0.444 12.398 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.724 1.496 13.535 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.191 2.432 6.787 1.00 0.00 N ATOM 1056 CA VAL A 67 -1.009 3.579 5.865 1.00 0.00 C ATOM 1057 C VAL A 67 -2.385 4.015 5.372 1.00 0.00 C ATOM 1058 O VAL A 67 -2.692 5.186 5.287 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.161 3.130 4.672 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.744 4.269 4.199 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.703 1.940 5.087 1.00 0.00 C ATOM 0 H VAL A 67 -0.909 1.527 6.410 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.511 4.405 6.373 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.825 2.845 3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.340 3.932 3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.132 5.119 3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.406 4.569 5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.309 1.617 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.356 2.234 5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.062 1.119 5.408 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.216 3.064 5.051 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.583 3.382 4.560 1.00 0.00 C ATOM 1073 C LEU A 68 -5.246 4.400 5.493 1.00 0.00 C ATOM 1074 O LEU A 68 -5.785 5.398 5.056 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.415 2.097 4.535 1.00 0.00 C ATOM 1076 CG LEU A 68 -6.833 2.397 4.042 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.620 3.121 5.138 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -6.773 3.283 2.794 1.00 0.00 C ATOM 0 H LEU A 68 -3.003 2.068 5.109 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.521 3.804 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.943 1.362 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.454 1.660 5.533 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.329 1.458 3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.628 3.332 4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.673 2.490 6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.120 4.057 5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.785 3.493 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.271 4.220 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.220 2.768 2.008 1.00 0.00 H new ATOM 1090 N ASP A 69 -5.220 4.147 6.772 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.858 5.091 7.733 1.00 0.00 C ATOM 1092 C ASP A 69 -4.900 6.242 8.053 1.00 0.00 C ATOM 1093 O ASP A 69 -5.266 7.201 8.701 1.00 0.00 O ATOM 1094 CB ASP A 69 -6.200 4.342 9.024 1.00 0.00 C ATOM 1095 CG ASP A 69 -7.054 5.238 9.922 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -8.188 5.503 9.557 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -6.559 5.643 10.961 1.00 0.00 O ATOM 0 H ASP A 69 -4.784 3.327 7.194 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.766 5.497 7.287 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.738 3.423 8.792 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.286 4.054 9.543 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.675 6.156 7.608 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.704 7.250 7.898 1.00 0.00 C ATOM 1104 C GLU A 70 -2.879 8.381 6.886 1.00 0.00 C ATOM 1105 O GLU A 70 -3.220 9.493 7.238 1.00 0.00 O ATOM 1106 CB GLU A 70 -1.275 6.711 7.805 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.311 7.699 8.469 1.00 0.00 C ATOM 1108 CD GLU A 70 0.404 7.012 9.635 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -0.214 6.182 10.278 1.00 0.00 O ATOM 1110 OE2 GLU A 70 1.559 7.331 9.865 1.00 0.00 O ATOM 0 H GLU A 70 -3.306 5.380 7.059 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.888 7.629 8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.209 5.739 8.293 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.998 6.563 6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.418 8.056 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.858 8.571 8.827 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.641 8.114 5.632 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.790 9.187 4.611 1.00 0.00 C ATOM 1119 C ILE A 71 -4.213 9.744 4.678 1.00 0.00 C ATOM 1120 O ILE A 71 -4.432 10.932 4.557 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.524 8.625 3.208 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -1.915 7.223 3.314 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.552 9.538 2.455 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -1.275 6.839 1.977 1.00 0.00 C ATOM 0 H ILE A 71 -2.351 7.205 5.272 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.070 9.980 4.813 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.469 8.573 2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.167 7.199 4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.686 6.500 3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.368 9.132 1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.984 10.535 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.611 9.598 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.842 5.842 2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.034 6.846 1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.492 7.556 1.729 1.00 0.00 H new ATOM 1136 N LYS A 72 -5.183 8.892 4.873 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.593 9.368 4.950 1.00 0.00 C ATOM 1138 C LYS A 72 -6.659 10.641 5.796 1.00 0.00 C ATOM 1139 O LYS A 72 -7.291 11.611 5.424 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.461 8.281 5.589 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.751 8.903 6.128 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.847 7.836 6.186 1.00 0.00 C ATOM 1143 CE LYS A 72 -11.201 8.507 6.426 1.00 0.00 C ATOM 1144 NZ LYS A 72 -12.180 8.027 5.410 1.00 0.00 N ATOM 0 H LYS A 72 -5.059 7.885 4.982 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.960 9.584 3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.696 7.511 4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.915 7.794 6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.580 9.318 7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.065 9.727 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.869 7.271 5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.635 7.125 6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.560 8.278 7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.098 9.590 6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.101 8.483 5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.838 8.267 4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.286 6.995 5.490 1.00 0.00 H new ATOM 1158 N GLN A 73 -6.014 10.649 6.929 1.00 0.00 N ATOM 1159 CA GLN A 73 -6.044 11.865 7.792 1.00 0.00 C ATOM 1160 C GLN A 73 -5.318 13.009 7.081 1.00 0.00 C ATOM 1161 O GLN A 73 -5.692 14.160 7.195 1.00 0.00 O ATOM 1162 CB GLN A 73 -5.350 11.566 9.123 1.00 0.00 C ATOM 1163 CG GLN A 73 -5.854 10.229 9.671 1.00 0.00 C ATOM 1164 CD GLN A 73 -5.958 10.308 11.194 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -5.019 9.987 11.896 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -7.069 10.724 11.739 1.00 0.00 N ATOM 0 H GLN A 73 -5.468 9.869 7.295 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.078 12.152 7.982 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.270 11.530 8.982 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.552 12.364 9.838 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.827 9.992 9.241 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.174 9.427 9.384 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.857 10.993 11.149 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.149 10.780 12.754 1.00 0.00 H new ATOM 1175 N GLN A 74 -4.282 12.703 6.348 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.534 13.775 5.630 1.00 0.00 C ATOM 1177 C GLN A 74 -4.488 14.538 4.707 1.00 0.00 C ATOM 1178 O GLN A 74 -4.354 15.729 4.508 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.414 13.146 4.798 1.00 0.00 C ATOM 1180 CG GLN A 74 -1.516 12.310 5.711 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.760 13.232 6.669 1.00 0.00 C ATOM 1182 OE1 GLN A 74 0.222 13.962 6.212 1.00 0.00 O flip ATOM 1183 NE2 GLN A 74 -1.066 13.291 7.843 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.921 11.758 6.215 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.105 14.465 6.357 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.837 12.520 4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.829 13.924 4.307 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.117 11.596 6.275 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.811 11.732 5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.833 12.721 8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.556 13.911 8.472 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.450 13.862 4.141 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.408 14.552 3.231 1.00 0.00 C ATOM 1194 C LEU A 75 -6.953 15.805 3.918 1.00 0.00 C ATOM 1195 O LEU A 75 -7.359 16.752 3.272 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.563 13.607 2.896 1.00 0.00 C ATOM 1197 CG LEU A 75 -7.170 12.720 1.713 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.917 13.591 0.481 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.894 11.950 2.059 1.00 0.00 C ATOM 0 H LEU A 75 -5.614 12.863 4.269 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.896 14.838 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.805 12.991 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.457 14.181 2.653 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.977 12.018 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.637 12.958 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.823 14.144 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.110 14.293 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.612 11.317 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.089 12.655 2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.071 11.329 2.937 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.963 15.823 5.222 1.00 0.00 N ATOM 1212 CA GLN A 76 -7.479 17.017 5.946 1.00 0.00 C ATOM 1213 C GLN A 76 -6.525 18.193 5.731 1.00 0.00 C ATOM 1214 O GLN A 76 -6.581 19.187 6.429 1.00 0.00 O ATOM 1215 CB GLN A 76 -7.575 16.707 7.440 1.00 0.00 C ATOM 1216 CG GLN A 76 -8.877 15.956 7.723 1.00 0.00 C ATOM 1217 CD GLN A 76 -9.916 16.929 8.282 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -10.287 16.844 9.436 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -10.406 17.859 7.506 1.00 0.00 N ATOM 0 H GLN A 76 -6.636 15.062 5.817 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.467 17.274 5.565 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.721 16.106 7.753 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.543 17.631 8.017 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.250 15.495 6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.697 15.151 8.435 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.095 17.931 6.537 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.099 18.513 7.869 1.00 0.00 H new ATOM 1228 N GLY A 77 -5.647 18.088 4.770 1.00 0.00 N ATOM 1229 CA GLY A 77 -4.689 19.201 4.512 1.00 0.00 C ATOM 1230 C GLY A 77 -4.850 19.693 3.073 1.00 0.00 C ATOM 1231 O GLY A 77 -5.950 19.851 2.580 1.00 0.00 O ATOM 0 H GLY A 77 -5.552 17.281 4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.870 20.019 5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.667 18.861 4.678 1.00 0.00 H new ATOM 1235 N GLY A 78 -3.763 19.937 2.393 1.00 0.00 N ATOM 1236 CA GLY A 78 -3.855 20.419 0.987 1.00 0.00 C ATOM 1237 C GLY A 78 -3.401 19.309 0.037 1.00 0.00 C ATOM 1238 O GLY A 78 -2.978 19.562 -1.073 1.00 0.00 O ATOM 0 H GLY A 78 -2.815 19.823 2.751 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.880 20.712 0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.233 21.304 0.853 1.00 0.00 H new ATOM 1242 N ASP A 79 -3.486 18.079 0.465 1.00 0.00 N ATOM 1243 CA ASP A 79 -3.060 16.952 -0.411 1.00 0.00 C ATOM 1244 C ASP A 79 -4.256 16.464 -1.235 1.00 0.00 C ATOM 1245 O ASP A 79 -4.478 15.280 -1.387 1.00 0.00 O ATOM 1246 CB ASP A 79 -2.528 15.808 0.460 1.00 0.00 C ATOM 1247 CG ASP A 79 -2.923 16.053 1.917 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -2.672 17.145 2.403 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -3.469 15.146 2.524 1.00 0.00 O ATOM 0 H ASP A 79 -3.833 17.806 1.385 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.274 17.289 -1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.933 14.856 0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.444 15.743 0.372 1.00 0.00 H new ATOM 1254 N ASN A 80 -5.030 17.369 -1.771 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.208 16.952 -2.586 1.00 0.00 C ATOM 1256 C ASN A 80 -5.751 15.974 -3.670 1.00 0.00 C ATOM 1257 O ASN A 80 -6.555 15.358 -4.341 1.00 0.00 O ATOM 1258 CB ASN A 80 -6.842 18.184 -3.237 1.00 0.00 C ATOM 1259 CG ASN A 80 -8.332 18.237 -2.892 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -9.154 18.514 -3.743 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -8.718 17.984 -1.671 1.00 0.00 N ATOM 0 H ASN A 80 -4.898 18.376 -1.680 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.944 16.466 -1.945 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.345 19.089 -2.887 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.710 18.145 -4.318 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.709 18.019 -1.432 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.029 17.751 -0.956 1.00 0.00 H new ATOM 1268 N SER A 81 -4.468 15.809 -3.829 1.00 0.00 N ATOM 1269 CA SER A 81 -3.965 14.853 -4.848 1.00 0.00 C ATOM 1270 C SER A 81 -4.117 13.453 -4.276 1.00 0.00 C ATOM 1271 O SER A 81 -4.491 12.521 -4.961 1.00 0.00 O ATOM 1272 CB SER A 81 -2.492 15.136 -5.142 1.00 0.00 C ATOM 1273 OG SER A 81 -2.302 15.221 -6.548 1.00 0.00 O ATOM 0 H SER A 81 -3.747 16.296 -3.296 1.00 0.00 H new ATOM 0 HA SER A 81 -4.526 14.951 -5.777 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.186 16.067 -4.665 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.868 14.345 -4.726 1.00 0.00 H new ATOM 0 HG SER A 81 -1.737 14.478 -6.847 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.856 13.307 -3.006 1.00 0.00 N ATOM 1280 CA LEU A 82 -4.012 11.980 -2.369 1.00 0.00 C ATOM 1281 C LEU A 82 -5.460 11.541 -2.550 1.00 0.00 C ATOM 1282 O LEU A 82 -5.749 10.396 -2.832 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.687 12.083 -0.884 1.00 0.00 C ATOM 1284 CG LEU A 82 -2.183 11.903 -0.696 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.432 12.902 -1.574 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.817 12.148 0.763 1.00 0.00 C ATOM 0 H LEU A 82 -3.541 14.053 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.336 11.256 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.003 13.051 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.231 11.322 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.907 10.887 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.359 12.771 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.688 12.732 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.712 13.917 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.743 12.019 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.098 13.163 1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.348 11.437 1.396 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.378 12.460 -2.409 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.807 12.106 -2.594 1.00 0.00 C ATOM 1300 C HIS A 83 -7.922 11.247 -3.850 1.00 0.00 C ATOM 1301 O HIS A 83 -8.798 10.414 -3.973 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.643 13.375 -2.771 1.00 0.00 C ATOM 1303 CG HIS A 83 -10.025 13.000 -3.234 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -10.255 12.393 -4.461 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -11.260 13.135 -2.646 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -11.580 12.188 -4.571 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -12.235 12.622 -3.493 1.00 0.00 N ATOM 0 H HIS A 83 -6.197 13.436 -2.174 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.173 11.565 -1.722 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -8.698 13.922 -1.830 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.171 14.037 -3.497 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -11.444 13.572 -1.676 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.054 11.729 -5.426 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -13.240 12.585 -3.326 1.00 0.00 H new ATOM 1316 N ASN A 84 -7.030 11.448 -4.782 1.00 0.00 N ATOM 1317 CA ASN A 84 -7.066 10.647 -6.036 1.00 0.00 C ATOM 1318 C ASN A 84 -6.134 9.444 -5.891 1.00 0.00 C ATOM 1319 O ASN A 84 -6.395 8.379 -6.412 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.606 11.514 -7.212 1.00 0.00 C ATOM 1321 CG ASN A 84 -7.795 12.309 -7.757 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -8.837 11.750 -8.035 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -7.682 13.598 -7.922 1.00 0.00 N ATOM 0 H ASN A 84 -6.277 12.134 -4.728 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.083 10.302 -6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.818 12.194 -6.889 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.184 10.886 -7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.469 14.137 -8.284 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.807 14.067 -7.689 1.00 0.00 H new ATOM 1330 N VAL A 85 -5.048 9.602 -5.183 1.00 0.00 N ATOM 1331 CA VAL A 85 -4.108 8.467 -5.006 1.00 0.00 C ATOM 1332 C VAL A 85 -4.490 7.688 -3.747 1.00 0.00 C ATOM 1333 O VAL A 85 -4.591 6.478 -3.761 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.687 9.014 -4.862 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.690 8.010 -5.436 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.570 10.335 -5.624 1.00 0.00 C ATOM 0 H VAL A 85 -4.774 10.469 -4.721 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.158 7.804 -5.870 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.469 9.179 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.678 8.402 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.771 7.067 -4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.908 7.843 -6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.558 10.726 -5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.790 10.168 -6.678 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.279 11.055 -5.216 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.709 8.373 -2.659 1.00 0.00 N ATOM 1347 CA HIS A 86 -5.093 7.673 -1.401 1.00 0.00 C ATOM 1348 C HIS A 86 -6.294 6.770 -1.679 1.00 0.00 C ATOM 1349 O HIS A 86 -6.591 5.862 -0.929 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.461 8.708 -0.334 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.380 8.084 0.680 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -7.743 8.351 0.706 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -6.149 7.210 1.715 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -8.274 7.649 1.725 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -7.345 6.940 2.369 1.00 0.00 N ATOM 0 H HIS A 86 -4.639 9.388 -2.587 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.258 7.070 -1.043 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.560 9.076 0.156 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.945 9.567 -0.798 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -8.249 8.967 0.069 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.187 6.797 1.979 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -9.321 7.659 1.988 1.00 0.00 H new ATOM 1364 N GLU A 87 -6.983 7.007 -2.762 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.158 6.158 -3.097 1.00 0.00 C ATOM 1366 C GLU A 87 -7.667 4.838 -3.695 1.00 0.00 C ATOM 1367 O GLU A 87 -8.437 3.933 -3.947 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.040 6.883 -4.117 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.045 7.773 -3.382 1.00 0.00 C ATOM 1370 CD GLU A 87 -10.983 6.900 -2.547 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -11.241 5.781 -2.959 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -11.428 7.366 -1.511 1.00 0.00 O ATOM 0 H GLU A 87 -6.782 7.752 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.738 5.961 -2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.423 7.486 -4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.566 6.159 -4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.520 8.479 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.619 8.360 -4.099 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.386 4.724 -3.924 1.00 0.00 N ATOM 1380 CA ASN A 88 -5.839 3.465 -4.505 1.00 0.00 C ATOM 1381 C ASN A 88 -5.691 2.416 -3.402 1.00 0.00 C ATOM 1382 O ASN A 88 -6.309 1.371 -3.442 1.00 0.00 O ATOM 1383 CB ASN A 88 -4.472 3.746 -5.133 1.00 0.00 C ATOM 1384 CG ASN A 88 -4.609 4.854 -6.180 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -5.693 5.345 -6.424 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -3.547 5.270 -6.815 1.00 0.00 N ATOM 0 H ASN A 88 -5.695 5.449 -3.733 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.519 3.091 -5.270 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.761 4.045 -4.363 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.079 2.840 -5.596 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.628 6.007 -7.516 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.637 4.858 -6.611 1.00 0.00 H new ATOM 1393 N ILE A 89 -4.880 2.682 -2.412 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.710 1.691 -1.313 1.00 0.00 C ATOM 1395 C ILE A 89 -6.065 1.053 -1.015 1.00 0.00 C ATOM 1396 O ILE A 89 -6.187 -0.150 -0.937 1.00 0.00 O ATOM 1397 CB ILE A 89 -4.172 2.396 -0.060 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.703 2.780 -0.295 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -4.278 1.463 1.155 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.897 2.617 0.999 1.00 0.00 C ATOM 0 H ILE A 89 -4.332 3.537 -2.318 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.000 0.920 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.761 3.292 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.277 2.153 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.641 3.811 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.894 1.972 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.322 1.193 1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.694 0.561 0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.858 2.893 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.314 3.263 1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.945 1.579 1.329 1.00 0.00 H new ATOM 1412 N LYS A 90 -7.087 1.847 -0.855 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.430 1.273 -0.559 1.00 0.00 C ATOM 1414 C LYS A 90 -8.659 0.036 -1.432 1.00 0.00 C ATOM 1415 O LYS A 90 -8.731 -1.075 -0.942 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.512 2.313 -0.856 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.596 2.241 0.221 1.00 0.00 C ATOM 1418 CD LYS A 90 -11.351 0.916 0.098 1.00 0.00 C ATOM 1419 CE LYS A 90 -12.153 0.902 -1.206 1.00 0.00 C ATOM 1420 NZ LYS A 90 -13.304 -0.035 -1.071 1.00 0.00 N ATOM 0 H LYS A 90 -7.051 2.865 -0.916 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.479 0.992 0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.075 3.311 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.947 2.130 -1.838 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.147 2.325 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.287 3.077 0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.649 0.083 0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.019 0.786 0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.512 1.905 -1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.515 0.594 -2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.849 -0.045 -1.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.951 -0.992 -0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.917 0.278 -0.291 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.772 0.212 -2.720 1.00 0.00 N ATOM 1435 CA GLU A 91 -8.991 -0.962 -3.612 1.00 0.00 C ATOM 1436 C GLU A 91 -7.692 -1.761 -3.724 1.00 0.00 C ATOM 1437 O GLU A 91 -7.683 -2.970 -3.607 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.414 -0.479 -5.001 1.00 0.00 C ATOM 1439 CG GLU A 91 -9.594 -1.683 -5.927 1.00 0.00 C ATOM 1440 CD GLU A 91 -10.903 -1.537 -6.706 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -11.221 -0.423 -7.086 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -11.564 -2.542 -6.907 1.00 0.00 O ATOM 0 H GLU A 91 -8.722 1.115 -3.192 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.775 -1.594 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.345 0.084 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.661 0.197 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.753 -1.753 -6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.606 -2.604 -5.345 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.595 -1.093 -3.944 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.293 -1.809 -4.058 1.00 0.00 C ATOM 1451 C ILE A 92 -5.125 -2.742 -2.853 1.00 0.00 C ATOM 1452 O ILE A 92 -5.035 -3.945 -2.992 1.00 0.00 O ATOM 1453 CB ILE A 92 -4.158 -0.778 -4.083 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.799 -0.454 -5.536 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.927 -1.333 -3.360 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -2.878 -1.540 -6.092 1.00 0.00 C ATOM 0 H ILE A 92 -6.543 -0.080 -4.050 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.267 -2.398 -4.974 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.486 0.129 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.705 -0.388 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.307 0.517 -5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.127 -0.593 -3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.184 -1.557 -2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.593 -2.244 -3.857 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.624 -1.307 -7.126 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.967 -1.585 -5.496 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.386 -2.504 -6.051 1.00 0.00 H new ATOM 1468 N PHE A 93 -5.083 -2.188 -1.674 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.921 -3.023 -0.450 1.00 0.00 C ATOM 1470 C PHE A 93 -5.937 -4.167 -0.462 1.00 0.00 C ATOM 1471 O PHE A 93 -5.592 -5.316 -0.274 1.00 0.00 O ATOM 1472 CB PHE A 93 -5.151 -2.142 0.780 1.00 0.00 C ATOM 1473 CG PHE A 93 -5.257 -2.992 2.019 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -4.294 -3.967 2.290 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -6.321 -2.792 2.903 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.395 -4.745 3.447 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -6.425 -3.568 4.059 1.00 0.00 C ATOM 1478 CZ PHE A 93 -5.462 -4.546 4.334 1.00 0.00 C ATOM 0 H PHE A 93 -5.154 -1.185 -1.504 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.917 -3.445 -0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.330 -1.433 0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.062 -1.558 0.652 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.472 -4.120 1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.063 -2.037 2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.651 -5.499 3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -7.248 -3.414 4.741 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.541 -5.146 5.228 1.00 0.00 H new ATOM 1488 N HIS A 94 -7.185 -3.864 -0.680 1.00 0.00 N ATOM 1489 CA HIS A 94 -8.216 -4.940 -0.703 1.00 0.00 C ATOM 1490 C HIS A 94 -8.037 -5.789 -1.962 1.00 0.00 C ATOM 1491 O HIS A 94 -8.723 -6.771 -2.162 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.608 -4.312 -0.705 1.00 0.00 C ATOM 1493 CG HIS A 94 -10.627 -5.344 -1.105 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -10.813 -6.650 -0.718 1.00 0.00 N flip ATOM 1495 CD2 HIS A 94 -11.630 -5.076 -2.027 1.00 0.00 C flip ATOM 1496 CE1 HIS A 94 -11.910 -7.179 -1.388 1.00 0.00 C flip ATOM 1497 NE2 HIS A 94 -12.366 -6.194 -2.163 1.00 0.00 N flip ATOM 0 H HIS A 94 -7.536 -2.920 -0.843 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.104 -5.570 0.179 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.842 -3.920 0.285 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.637 -3.470 -1.397 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -11.790 -4.140 -2.542 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.309 -8.178 -1.300 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -13.172 -6.278 -2.782 1.00 0.00 H new ATOM 1506 N HIS A 95 -7.117 -5.422 -2.812 1.00 0.00 N ATOM 1507 CA HIS A 95 -6.899 -6.216 -4.053 1.00 0.00 C ATOM 1508 C HIS A 95 -6.024 -7.425 -3.727 1.00 0.00 C ATOM 1509 O HIS A 95 -6.244 -8.512 -4.224 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.207 -5.345 -5.103 1.00 0.00 C ATOM 1511 CG HIS A 95 -6.873 -5.541 -6.438 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -6.222 -6.134 -7.511 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -8.133 -5.227 -6.889 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -7.085 -6.158 -8.546 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -8.259 -5.618 -8.216 1.00 0.00 N ATOM 0 H HIS A 95 -6.510 -4.610 -2.701 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.857 -6.555 -4.446 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.257 -4.296 -4.811 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.151 -5.607 -5.170 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.905 -4.750 -6.303 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -6.855 -6.564 -9.520 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -9.079 -5.514 -8.814 1.00 0.00 H new ATOM 1524 N LEU A 96 -5.039 -7.254 -2.888 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.167 -8.405 -2.531 1.00 0.00 C ATOM 1526 C LEU A 96 -5.012 -9.463 -1.825 1.00 0.00 C ATOM 1527 O LEU A 96 -5.062 -10.605 -2.240 1.00 0.00 O ATOM 1528 CB LEU A 96 -3.043 -7.941 -1.603 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.698 -8.437 -2.140 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.619 -8.220 -1.081 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.792 -9.931 -2.470 1.00 0.00 C ATOM 0 H LEU A 96 -4.802 -6.370 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.726 -8.824 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.040 -6.853 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.208 -8.324 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.444 -7.883 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.340 -8.572 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.548 -7.158 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.878 -8.775 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.833 -10.280 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.048 -10.487 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.562 -10.089 -3.225 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.691 -9.098 -0.769 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.540 -10.101 -0.067 1.00 0.00 C ATOM 1545 C GLU A 97 -7.411 -10.808 -1.108 1.00 0.00 C ATOM 1546 O GLU A 97 -8.105 -11.761 -0.813 1.00 0.00 O ATOM 1547 CB GLU A 97 -7.432 -9.401 0.961 1.00 0.00 C ATOM 1548 CG GLU A 97 -8.047 -10.444 1.900 1.00 0.00 C ATOM 1549 CD GLU A 97 -9.557 -10.517 1.667 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -9.983 -10.211 0.565 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -10.264 -10.881 2.593 1.00 0.00 O ATOM 0 H GLU A 97 -5.694 -8.160 -0.367 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.911 -10.824 0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.848 -8.680 1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.220 -8.843 0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.594 -11.419 1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.841 -10.180 2.937 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.372 -10.344 -2.330 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.186 -10.977 -3.401 1.00 0.00 C ATOM 1560 C GLU A 98 -7.362 -12.073 -4.082 1.00 0.00 C ATOM 1561 O GLU A 98 -7.882 -13.103 -4.464 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.578 -9.921 -4.438 1.00 0.00 C ATOM 1563 CG GLU A 98 -9.996 -10.199 -4.938 1.00 0.00 C ATOM 1564 CD GLU A 98 -10.998 -9.433 -4.074 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -11.060 -9.709 -2.888 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -11.686 -8.581 -4.612 1.00 0.00 O ATOM 0 H GLU A 98 -6.807 -9.549 -2.630 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.086 -11.411 -2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.525 -8.926 -3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.877 -9.938 -5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.092 -9.896 -5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.205 -11.268 -4.896 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.080 -11.865 -4.238 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.240 -12.903 -4.891 1.00 0.00 C ATOM 1575 C LEU A 99 -4.990 -14.038 -3.900 1.00 0.00 C ATOM 1576 O LEU A 99 -4.299 -14.993 -4.193 1.00 0.00 O ATOM 1577 CB LEU A 99 -3.908 -12.285 -5.315 1.00 0.00 C ATOM 1578 CG LEU A 99 -4.082 -11.578 -6.661 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.315 -10.254 -6.656 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.543 -12.474 -7.776 1.00 0.00 C ATOM 0 H LEU A 99 -5.584 -11.024 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.750 -13.293 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.567 -11.576 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.144 -13.059 -5.394 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.140 -11.378 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.443 -9.756 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.699 -9.614 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.256 -10.448 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.665 -11.973 -8.736 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.485 -12.674 -7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.093 -13.415 -7.785 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.549 -13.936 -2.726 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.351 -15.002 -1.707 1.00 0.00 C ATOM 1594 C VAL A 100 -6.712 -15.553 -1.274 1.00 0.00 C ATOM 1595 O VAL A 100 -6.824 -16.679 -0.830 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.611 -14.415 -0.501 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -3.900 -13.128 -0.917 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.606 -14.101 0.614 1.00 0.00 C ATOM 0 H VAL A 100 -6.136 -13.157 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.759 -15.814 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.881 -15.140 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.373 -12.710 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.185 -13.347 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.634 -12.408 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.074 -13.684 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.339 -13.379 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.116 -15.016 0.915 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.745 -14.765 -1.391 1.00 0.00 N ATOM 1609 CA HIS A 101 -9.095 -15.237 -0.979 1.00 0.00 C ATOM 1610 C HIS A 101 -9.392 -16.591 -1.628 1.00 0.00 C ATOM 1611 O HIS A 101 -10.335 -17.268 -1.268 1.00 0.00 O ATOM 1612 CB HIS A 101 -10.148 -14.217 -1.417 1.00 0.00 C ATOM 1613 CG HIS A 101 -11.149 -14.018 -0.312 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -11.500 -15.036 0.565 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -11.885 -12.923 0.073 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -12.408 -14.539 1.424 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -12.676 -13.257 1.166 1.00 0.00 N ATOM 0 H HIS A 101 -7.711 -13.813 -1.755 1.00 0.00 H new ATOM 0 HA HIS A 101 -9.122 -15.346 0.105 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.670 -13.269 -1.663 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.652 -14.564 -2.319 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -11.135 -15.989 0.559 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.854 -11.953 -0.401 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.863 -15.106 2.222 1.00 0.00 H new ATOM 1626 N ARG A 102 -8.599 -16.992 -2.584 1.00 0.00 N ATOM 1627 CA ARG A 102 -8.841 -18.300 -3.255 1.00 0.00 C ATOM 1628 C ARG A 102 -7.728 -19.279 -2.877 1.00 0.00 C ATOM 1629 O ARG A 102 -7.916 -20.468 -3.084 1.00 0.00 O ATOM 1630 CB ARG A 102 -8.850 -18.099 -4.771 1.00 0.00 C ATOM 1631 CG ARG A 102 -8.309 -16.708 -5.103 1.00 0.00 C ATOM 1632 CD ARG A 102 -8.267 -16.522 -6.620 1.00 0.00 C ATOM 1633 NE ARG A 102 -9.601 -16.057 -7.099 1.00 0.00 N ATOM 1634 CZ ARG A 102 -9.692 -15.097 -7.983 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -8.616 -14.542 -8.472 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -10.868 -14.695 -8.384 1.00 0.00 N ATOM 1637 OXT ARG A 102 -6.706 -18.825 -2.390 1.00 0.00 O ATOM 0 H ARG A 102 -7.794 -16.470 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.803 -18.702 -2.935 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.240 -18.863 -5.254 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.863 -18.209 -5.157 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.941 -15.944 -4.650 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.310 -16.586 -4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.499 -15.796 -6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.001 -17.461 -7.105 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.449 -16.491 -6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.695 -14.856 -8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.696 -13.794 -9.161 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.711 -15.129 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -10.944 -13.947 -9.073 1.00 0.00 H new TER 1651 ARG A 102