USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 449 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 40 SER OG : rot 160:sc= -0.607 USER MOD Set 1.2: A 43 THR OG1 : rot 135:sc= 1.21 USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= 0.972 USER MOD Set 2.2: A 36 LYS NZ :NH3+ 174:sc= 0.723 (180deg=-0.0217) USER MOD Single : A 19 GLN : amide:sc= -4.55! C(o=-4.5!,f=-3.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00107 USER MOD Single : A 30 ASN : amide:sc= -2.53! K(o=-2.5!,f=-1.4) USER MOD Single : A 31 HIS : no HD1:sc=-0.00918 X(o=-0.0092,f=-0.0053) USER MOD Single : A 34 SER OG : rot 101:sc= -2.1! USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -9.36! C(o=-9.4!,f=-11!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 177:sc= -0.627 (180deg=-0.671) USER MOD Single : A 52 MET CE :methyl 159:sc= -1.16 (180deg=-2.33!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 66 CYS SG : rot -160:sc=-0.00884 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 15 8.815 -4.310 -6.821 1.00 0.00 N ATOM 2 CA LEU A 15 8.181 -5.497 -7.368 1.00 0.00 C ATOM 3 C LEU A 15 7.082 -5.969 -6.414 1.00 0.00 C ATOM 4 O LEU A 15 5.914 -6.040 -6.795 1.00 0.00 O ATOM 5 CB LEU A 15 9.229 -6.569 -7.677 1.00 0.00 C ATOM 6 CG LEU A 15 9.858 -6.510 -9.070 1.00 0.00 C ATOM 7 CD1 LEU A 15 11.235 -7.175 -9.080 1.00 0.00 C ATOM 8 CD2 LEU A 15 8.922 -7.113 -10.121 1.00 0.00 C ATOM 0 HA LEU A 15 7.701 -5.268 -8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.026 -6.494 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.767 -7.548 -7.550 1.00 0.00 H new ATOM 0 HG LEU A 15 10.005 -5.463 -9.333 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.659 -7.119 -10.083 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.892 -6.661 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.137 -8.220 -8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.393 -7.058 -11.102 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.720 -8.155 -9.873 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.986 -6.555 -10.137 1.00 0.00 H new ATOM 19 N ARG A 16 7.495 -6.280 -5.195 1.00 0.00 N ATOM 20 CA ARG A 16 6.559 -6.743 -4.183 1.00 0.00 C ATOM 21 C ARG A 16 5.694 -5.581 -3.689 1.00 0.00 C ATOM 22 O ARG A 16 4.473 -5.705 -3.604 1.00 0.00 O ATOM 23 CB ARG A 16 7.295 -7.362 -2.994 1.00 0.00 C ATOM 24 CG ARG A 16 7.066 -8.874 -2.935 1.00 0.00 C ATOM 25 CD ARG A 16 8.265 -9.634 -3.503 1.00 0.00 C ATOM 26 NE ARG A 16 7.880 -10.328 -4.752 1.00 0.00 N ATOM 27 CZ ARG A 16 8.617 -11.295 -5.338 1.00 0.00 C ATOM 28 NH1 ARG A 16 9.786 -11.692 -4.793 1.00 0.00 N ATOM 29 NH2 ARG A 16 8.177 -11.846 -6.454 1.00 0.00 N ATOM 0 H ARG A 16 8.465 -6.221 -4.884 1.00 0.00 H new ATOM 0 HA ARG A 16 5.926 -7.504 -4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.362 -7.155 -3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.950 -6.902 -2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.894 -9.179 -1.903 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.168 -9.131 -3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.084 -8.942 -3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.627 -10.357 -2.772 1.00 0.00 H new ATOM 0 HE ARG A 16 7.003 -10.059 -5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.119 -11.261 -3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.336 -12.424 -5.243 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.293 -11.540 -6.860 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.721 -12.578 -6.910 1.00 0.00 H new ATOM 39 N GLU A 17 6.360 -4.479 -3.378 1.00 0.00 N ATOM 40 CA GLU A 17 5.667 -3.297 -2.895 1.00 0.00 C ATOM 41 C GLU A 17 5.010 -2.553 -4.058 1.00 0.00 C ATOM 42 O GLU A 17 3.925 -1.995 -3.910 1.00 0.00 O ATOM 43 CB GLU A 17 6.621 -2.380 -2.126 1.00 0.00 C ATOM 44 CG GLU A 17 7.114 -3.052 -0.844 1.00 0.00 C ATOM 45 CD GLU A 17 8.079 -4.195 -1.161 1.00 0.00 C ATOM 46 OE1 GLU A 17 9.055 -3.997 -1.898 1.00 0.00 O ATOM 47 OE2 GLU A 17 7.787 -5.324 -0.608 1.00 0.00 O ATOM 0 H GLU A 17 7.373 -4.380 -3.451 1.00 0.00 H new ATOM 0 HA GLU A 17 4.884 -3.615 -2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.472 -2.124 -2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.114 -1.447 -1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.611 -2.316 -0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.264 -3.435 -0.280 1.00 0.00 H new ATOM 53 N ARG A 18 5.695 -2.572 -5.192 1.00 0.00 N ATOM 54 CA ARG A 18 5.191 -1.907 -6.381 1.00 0.00 C ATOM 55 C ARG A 18 3.792 -2.421 -6.725 1.00 0.00 C ATOM 56 O ARG A 18 2.934 -1.654 -7.160 1.00 0.00 O ATOM 57 CB ARG A 18 6.119 -2.137 -7.577 1.00 0.00 C ATOM 58 CG ARG A 18 6.836 -0.844 -7.971 1.00 0.00 C ATOM 59 CD ARG A 18 7.421 -0.949 -9.381 1.00 0.00 C ATOM 60 NE ARG A 18 8.031 0.340 -9.774 1.00 0.00 N ATOM 61 CZ ARG A 18 8.663 0.553 -10.948 1.00 0.00 C ATOM 62 NH1 ARG A 18 8.772 -0.441 -11.856 1.00 0.00 N ATOM 63 NH2 ARG A 18 9.172 1.745 -11.195 1.00 0.00 N ATOM 0 H ARG A 18 6.595 -3.037 -5.312 1.00 0.00 H new ATOM 0 HA ARG A 18 5.148 -0.839 -6.169 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.853 -2.904 -7.330 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.542 -2.510 -8.423 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.138 -0.008 -7.924 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.633 -0.634 -7.258 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.170 -1.740 -9.415 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.638 -1.221 -10.089 1.00 0.00 H new ATOM 0 HE ARG A 18 7.970 1.117 -9.116 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.376 -1.359 -11.657 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.251 -0.273 -12.741 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.085 2.490 -10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.652 1.922 -12.077 1.00 0.00 H new ATOM 73 N GLN A 19 3.605 -3.717 -6.518 1.00 0.00 N ATOM 74 CA GLN A 19 2.325 -4.343 -6.800 1.00 0.00 C ATOM 75 C GLN A 19 1.306 -3.981 -5.717 1.00 0.00 C ATOM 76 O GLN A 19 0.122 -3.815 -6.003 1.00 0.00 O ATOM 77 CB GLN A 19 2.473 -5.860 -6.928 1.00 0.00 C ATOM 78 CG GLN A 19 3.047 -6.465 -5.646 1.00 0.00 C ATOM 79 CD GLN A 19 2.721 -7.958 -5.549 1.00 0.00 C ATOM 80 OE1 GLN A 19 2.443 -8.622 -6.533 1.00 0.00 O ATOM 81 NE2 GLN A 19 2.774 -8.443 -4.313 1.00 0.00 N ATOM 0 H GLN A 19 4.319 -4.350 -6.158 1.00 0.00 H new ATOM 0 HA GLN A 19 1.961 -3.964 -7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.502 -6.307 -7.142 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.125 -6.096 -7.769 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.128 -6.323 -5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.640 -5.943 -4.780 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.014 -7.829 -3.534 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.575 -9.429 -4.143 1.00 0.00 H new ATOM 88 N VAL A 20 1.805 -3.868 -4.494 1.00 0.00 N ATOM 89 CA VAL A 20 0.954 -3.528 -3.367 1.00 0.00 C ATOM 90 C VAL A 20 0.616 -2.037 -3.419 1.00 0.00 C ATOM 91 O VAL A 20 -0.551 -1.657 -3.329 1.00 0.00 O ATOM 92 CB VAL A 20 1.631 -3.943 -2.058 1.00 0.00 C ATOM 93 CG1 VAL A 20 0.843 -3.431 -0.851 1.00 0.00 C ATOM 94 CG2 VAL A 20 1.812 -5.460 -1.991 1.00 0.00 C ATOM 0 H VAL A 20 2.788 -4.006 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 20 0.013 -4.075 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 20 2.621 -3.487 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.343 -3.738 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.788 -2.343 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.165 -3.846 -0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.295 -5.728 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.838 -5.946 -2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.432 -5.790 -2.825 1.00 0.00 H new ATOM 104 N LEU A 21 1.658 -1.232 -3.566 1.00 0.00 N ATOM 105 CA LEU A 21 1.486 0.210 -3.631 1.00 0.00 C ATOM 106 C LEU A 21 0.423 0.546 -4.679 1.00 0.00 C ATOM 107 O LEU A 21 -0.313 1.519 -4.532 1.00 0.00 O ATOM 108 CB LEU A 21 2.830 0.899 -3.876 1.00 0.00 C ATOM 109 CG LEU A 21 3.165 2.066 -2.946 1.00 0.00 C ATOM 110 CD1 LEU A 21 4.167 3.021 -3.599 1.00 0.00 C ATOM 111 CD2 LEU A 21 1.894 2.790 -2.495 1.00 0.00 C ATOM 0 H LEU A 21 2.624 -1.550 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 21 1.126 0.594 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.620 0.153 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.847 1.263 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 21 3.642 1.663 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.387 3.841 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.087 2.483 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.742 3.420 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.160 3.615 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.368 3.178 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.248 2.093 -1.962 1.00 0.00 H new ATOM 122 N LYS A 22 0.377 -0.282 -5.714 1.00 0.00 N ATOM 123 CA LYS A 22 -0.584 -0.085 -6.786 1.00 0.00 C ATOM 124 C LYS A 22 -2.000 -0.271 -6.236 1.00 0.00 C ATOM 125 O LYS A 22 -2.834 0.628 -6.341 1.00 0.00 O ATOM 126 CB LYS A 22 -0.258 -0.995 -7.971 1.00 0.00 C ATOM 127 CG LYS A 22 0.243 -0.184 -9.166 1.00 0.00 C ATOM 128 CD LYS A 22 0.592 -1.098 -10.343 1.00 0.00 C ATOM 129 CE LYS A 22 0.886 -0.282 -11.603 1.00 0.00 C ATOM 130 NZ LYS A 22 1.170 -1.177 -12.746 1.00 0.00 N ATOM 0 H LYS A 22 0.989 -1.089 -5.832 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.523 0.933 -7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.499 -1.722 -7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.147 -1.558 -8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.521 0.531 -9.471 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.121 0.393 -8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.459 -1.708 -10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.234 -1.783 -10.534 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.034 0.357 -11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.738 0.375 -11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.367 -0.607 -13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.997 -1.769 -12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.346 -1.786 -12.923 1.00 0.00 H new ATOM 139 N LEU A 23 -2.228 -1.444 -5.662 1.00 0.00 N ATOM 140 CA LEU A 23 -3.529 -1.759 -5.097 1.00 0.00 C ATOM 141 C LEU A 23 -3.769 -0.886 -3.863 1.00 0.00 C ATOM 142 O LEU A 23 -4.788 -0.204 -3.770 1.00 0.00 O ATOM 143 CB LEU A 23 -3.643 -3.259 -4.819 1.00 0.00 C ATOM 144 CG LEU A 23 -2.510 -3.877 -3.997 1.00 0.00 C ATOM 145 CD1 LEU A 23 -2.819 -3.809 -2.501 1.00 0.00 C ATOM 146 CD2 LEU A 23 -2.214 -5.306 -4.457 1.00 0.00 C ATOM 0 H LEU A 23 -1.534 -2.187 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.320 -1.529 -5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.584 -3.442 -4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.700 -3.782 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.606 -3.291 -4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.998 -4.255 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.940 -2.768 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.739 -4.356 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.405 -5.721 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.107 -5.919 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.919 -5.297 -5.506 1.00 0.00 H new ATOM 157 N ILE A 24 -2.813 -0.934 -2.948 1.00 0.00 N ATOM 158 CA ILE A 24 -2.907 -0.156 -1.724 1.00 0.00 C ATOM 159 C ILE A 24 -3.435 1.241 -2.053 1.00 0.00 C ATOM 160 O ILE A 24 -4.267 1.781 -1.326 1.00 0.00 O ATOM 161 CB ILE A 24 -1.565 -0.148 -0.989 1.00 0.00 C ATOM 162 CG1 ILE A 24 -1.767 -0.317 0.519 1.00 0.00 C ATOM 163 CG2 ILE A 24 -0.763 1.110 -1.324 1.00 0.00 C ATOM 164 CD1 ILE A 24 -0.484 -0.813 1.191 1.00 0.00 C ATOM 0 H ILE A 24 -1.968 -1.500 -3.029 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.618 -0.613 -1.036 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.980 -1.001 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.068 0.634 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.576 -1.024 0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.186 1.090 -0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.573 1.146 -2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.329 1.993 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.654 -0.925 2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.200 -1.776 0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.316 -0.092 1.024 1.00 0.00 H new ATOM 175 N ASP A 25 -2.930 1.787 -3.151 1.00 0.00 N ATOM 176 CA ASP A 25 -3.340 3.111 -3.585 1.00 0.00 C ATOM 177 C ASP A 25 -4.849 3.113 -3.844 1.00 0.00 C ATOM 178 O ASP A 25 -5.551 4.035 -3.431 1.00 0.00 O ATOM 179 CB ASP A 25 -2.638 3.507 -4.885 1.00 0.00 C ATOM 180 CG ASP A 25 -3.368 4.560 -5.720 1.00 0.00 C ATOM 181 OD1 ASP A 25 -3.924 4.257 -6.787 1.00 0.00 O ATOM 182 OD2 ASP A 25 -3.352 5.753 -5.230 1.00 0.00 O ATOM 0 H ASP A 25 -2.241 1.336 -3.752 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.074 3.820 -2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.644 3.882 -4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.502 2.613 -5.494 1.00 0.00 H new ATOM 187 N GLU A 26 -5.302 2.072 -4.526 1.00 0.00 N ATOM 188 CA GLU A 26 -6.714 1.942 -4.845 1.00 0.00 C ATOM 189 C GLU A 26 -7.536 1.800 -3.562 1.00 0.00 C ATOM 190 O GLU A 26 -8.427 2.608 -3.301 1.00 0.00 O ATOM 191 CB GLU A 26 -6.956 0.761 -5.786 1.00 0.00 C ATOM 192 CG GLU A 26 -7.548 1.232 -7.116 1.00 0.00 C ATOM 193 CD GLU A 26 -6.499 1.189 -8.229 1.00 0.00 C ATOM 194 OE1 GLU A 26 -5.739 0.214 -8.327 1.00 0.00 O ATOM 195 OE2 GLU A 26 -6.492 2.215 -9.011 1.00 0.00 O ATOM 0 H GLU A 26 -4.716 1.310 -4.867 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.036 2.846 -5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.017 0.237 -5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.633 0.049 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.395 0.601 -7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.929 2.248 -7.009 1.00 0.00 H new ATOM 201 N GLY A 27 -7.208 0.769 -2.798 1.00 0.00 N ATOM 202 CA GLY A 27 -7.906 0.511 -1.550 1.00 0.00 C ATOM 203 C GLY A 27 -7.914 -0.984 -1.224 1.00 0.00 C ATOM 204 O GLY A 27 -8.505 -1.778 -1.956 1.00 0.00 O ATOM 0 H GLY A 27 -6.468 0.102 -3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.426 1.061 -0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.930 0.877 -1.620 1.00 0.00 H new ATOM 208 N TYR A 28 -7.252 -1.322 -0.129 1.00 0.00 N ATOM 209 CA TYR A 28 -7.175 -2.708 0.302 1.00 0.00 C ATOM 210 C TYR A 28 -6.706 -2.805 1.754 1.00 0.00 C ATOM 211 O TYR A 28 -5.589 -3.246 2.022 1.00 0.00 O ATOM 212 CB TYR A 28 -6.136 -3.374 -0.603 1.00 0.00 C ATOM 213 CG TYR A 28 -6.602 -3.568 -2.048 1.00 0.00 C ATOM 214 CD1 TYR A 28 -6.375 -2.580 -2.984 1.00 0.00 C ATOM 215 CD2 TYR A 28 -7.249 -4.731 -2.414 1.00 0.00 C ATOM 216 CE1 TYR A 28 -6.815 -2.762 -4.344 1.00 0.00 C ATOM 217 CE2 TYR A 28 -7.687 -4.913 -3.773 1.00 0.00 C ATOM 218 CZ TYR A 28 -7.449 -3.920 -4.671 1.00 0.00 C ATOM 219 OH TYR A 28 -7.864 -4.092 -5.955 1.00 0.00 O ATOM 0 H TYR A 28 -6.763 -0.660 0.474 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.153 -3.185 0.237 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.229 -2.770 -0.603 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.873 -4.345 -0.183 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.868 -1.671 -2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.427 -5.504 -1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.645 -1.996 -5.087 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.194 -5.818 -4.073 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.300 -4.965 -6.044 1.00 0.00 H new ATOM 228 N THR A 29 -7.582 -2.387 2.655 1.00 0.00 N ATOM 229 CA THR A 29 -7.272 -2.423 4.074 1.00 0.00 C ATOM 230 C THR A 29 -6.130 -3.404 4.346 1.00 0.00 C ATOM 231 O THR A 29 -5.037 -2.996 4.740 1.00 0.00 O ATOM 232 CB THR A 29 -8.557 -2.763 4.831 1.00 0.00 C ATOM 233 OG1 THR A 29 -8.099 -3.310 6.064 1.00 0.00 O ATOM 234 CG2 THR A 29 -9.335 -3.908 4.181 1.00 0.00 C ATOM 0 H THR A 29 -8.507 -2.021 2.430 1.00 0.00 H new ATOM 0 HA THR A 29 -6.917 -1.454 4.425 1.00 0.00 H new ATOM 0 HB THR A 29 -9.191 -1.878 4.884 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.869 -3.557 6.618 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.238 -4.108 4.758 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.609 -3.630 3.163 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.713 -4.803 4.157 1.00 0.00 H new ATOM 242 N ASN A 30 -6.420 -4.677 4.125 1.00 0.00 N ATOM 243 CA ASN A 30 -5.431 -5.719 4.341 1.00 0.00 C ATOM 244 C ASN A 30 -5.928 -7.025 3.719 1.00 0.00 C ATOM 245 O ASN A 30 -5.250 -7.613 2.877 1.00 0.00 O ATOM 246 CB ASN A 30 -5.206 -5.964 5.835 1.00 0.00 C ATOM 247 CG ASN A 30 -3.922 -5.283 6.314 1.00 0.00 C ATOM 248 OD1 ASN A 30 -3.941 -4.237 6.941 1.00 0.00 O ATOM 249 ND2 ASN A 30 -2.810 -5.934 5.985 1.00 0.00 N ATOM 0 H ASN A 30 -7.327 -5.011 3.798 1.00 0.00 H new ATOM 0 HA ASN A 30 -4.496 -5.396 3.883 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.056 -5.585 6.402 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.147 -7.035 6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.901 -5.562 6.259 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.866 -6.806 5.458 1.00 0.00 H new ATOM 255 N HIS A 31 -7.107 -7.441 4.155 1.00 0.00 N ATOM 256 CA HIS A 31 -7.703 -8.668 3.652 1.00 0.00 C ATOM 257 C HIS A 31 -7.817 -8.592 2.128 1.00 0.00 C ATOM 258 O HIS A 31 -7.866 -9.620 1.453 1.00 0.00 O ATOM 259 CB HIS A 31 -9.043 -8.940 4.334 1.00 0.00 C ATOM 260 CG HIS A 31 -10.240 -8.432 3.564 1.00 0.00 C ATOM 261 ND1 HIS A 31 -10.727 -7.145 3.701 1.00 0.00 N ATOM 262 CD2 HIS A 31 -11.039 -9.052 2.649 1.00 0.00 C ATOM 263 CE1 HIS A 31 -11.773 -7.006 2.900 1.00 0.00 C ATOM 264 NE2 HIS A 31 -11.965 -8.189 2.250 1.00 0.00 N ATOM 0 H HIS A 31 -7.667 -6.950 4.852 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.062 -9.516 3.893 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.150 -10.014 4.485 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.037 -8.478 5.321 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.936 -10.071 2.307 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.369 -6.113 2.783 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.700 -8.380 1.569 1.00 0.00 H new ATOM 271 N GLY A 32 -7.857 -7.366 1.628 1.00 0.00 N ATOM 272 CA GLY A 32 -7.964 -7.144 0.196 1.00 0.00 C ATOM 273 C GLY A 32 -6.640 -7.449 -0.507 1.00 0.00 C ATOM 274 O GLY A 32 -6.624 -8.097 -1.554 1.00 0.00 O ATOM 0 H GLY A 32 -7.817 -6.515 2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.752 -7.775 -0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.251 -6.110 0.005 1.00 0.00 H new ATOM 278 N ILE A 33 -5.562 -6.971 0.095 1.00 0.00 N ATOM 279 CA ILE A 33 -4.236 -7.184 -0.460 1.00 0.00 C ATOM 280 C ILE A 33 -3.956 -8.686 -0.534 1.00 0.00 C ATOM 281 O ILE A 33 -3.128 -9.128 -1.329 1.00 0.00 O ATOM 282 CB ILE A 33 -3.190 -6.402 0.335 1.00 0.00 C ATOM 283 CG1 ILE A 33 -3.525 -4.909 0.363 1.00 0.00 C ATOM 284 CG2 ILE A 33 -1.782 -6.663 -0.205 1.00 0.00 C ATOM 285 CD1 ILE A 33 -2.270 -4.068 0.601 1.00 0.00 C ATOM 0 H ILE A 33 -5.579 -6.436 0.963 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.182 -6.798 -1.478 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.210 -6.756 1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.987 -4.619 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.254 -4.711 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.057 -6.095 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.555 -7.726 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.730 -6.354 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.537 -3.011 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.824 -4.343 1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.553 -4.249 -0.200 1.00 0.00 H new ATOM 296 N SER A 34 -4.660 -9.430 0.307 1.00 0.00 N ATOM 297 CA SER A 34 -4.498 -10.873 0.346 1.00 0.00 C ATOM 298 C SER A 34 -5.101 -11.503 -0.911 1.00 0.00 C ATOM 299 O SER A 34 -4.448 -12.296 -1.587 1.00 0.00 O ATOM 300 CB SER A 34 -5.144 -11.467 1.600 1.00 0.00 C ATOM 301 OG SER A 34 -5.842 -10.481 2.357 1.00 0.00 O ATOM 0 H SER A 34 -5.344 -9.060 0.967 1.00 0.00 H new ATOM 0 HA SER A 34 -3.431 -11.095 0.380 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.835 -12.259 1.312 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.375 -11.925 2.222 1.00 0.00 H new ATOM 0 HG SER A 34 -6.803 -10.550 2.177 1.00 0.00 H new ATOM 306 N GLU A 35 -6.341 -11.126 -1.186 1.00 0.00 N ATOM 307 CA GLU A 35 -7.040 -11.645 -2.350 1.00 0.00 C ATOM 308 C GLU A 35 -6.395 -11.121 -3.633 1.00 0.00 C ATOM 309 O GLU A 35 -6.719 -11.579 -4.728 1.00 0.00 O ATOM 310 CB GLU A 35 -8.528 -11.288 -2.299 1.00 0.00 C ATOM 311 CG GLU A 35 -9.359 -12.470 -1.795 1.00 0.00 C ATOM 312 CD GLU A 35 -10.792 -12.040 -1.483 1.00 0.00 C ATOM 313 OE1 GLU A 35 -11.610 -11.896 -2.403 1.00 0.00 O ATOM 314 OE2 GLU A 35 -11.046 -11.850 -0.233 1.00 0.00 O ATOM 0 H GLU A 35 -6.880 -10.468 -0.623 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.960 -12.732 -2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.677 -10.429 -1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.870 -10.996 -3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.368 -13.259 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.898 -12.888 -0.900 1.00 0.00 H new ATOM 320 N LYS A 36 -5.491 -10.167 -3.457 1.00 0.00 N ATOM 321 CA LYS A 36 -4.796 -9.576 -4.588 1.00 0.00 C ATOM 322 C LYS A 36 -3.512 -10.362 -4.859 1.00 0.00 C ATOM 323 O LYS A 36 -3.244 -10.749 -5.995 1.00 0.00 O ATOM 324 CB LYS A 36 -4.566 -8.081 -4.353 1.00 0.00 C ATOM 325 CG LYS A 36 -4.398 -7.338 -5.680 1.00 0.00 C ATOM 326 CD LYS A 36 -5.401 -6.188 -5.796 1.00 0.00 C ATOM 327 CE LYS A 36 -5.811 -5.963 -7.251 1.00 0.00 C ATOM 328 NZ LYS A 36 -5.968 -4.516 -7.527 1.00 0.00 N ATOM 0 H LYS A 36 -5.224 -9.789 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.406 -9.643 -5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.408 -7.662 -3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.678 -7.938 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.383 -6.949 -5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.537 -8.032 -6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.284 -6.409 -5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.962 -5.276 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.059 -6.387 -7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.747 -6.482 -7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.147 -4.373 -8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.769 -4.143 -6.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.099 -4.014 -7.255 1.00 0.00 H new ATOM 337 N LEU A 37 -2.750 -10.574 -3.796 1.00 0.00 N ATOM 338 CA LEU A 37 -1.500 -11.306 -3.905 1.00 0.00 C ATOM 339 C LEU A 37 -1.560 -12.547 -3.011 1.00 0.00 C ATOM 340 O LEU A 37 -0.603 -12.853 -2.302 1.00 0.00 O ATOM 341 CB LEU A 37 -0.313 -10.388 -3.603 1.00 0.00 C ATOM 342 CG LEU A 37 -0.648 -8.913 -3.371 1.00 0.00 C ATOM 343 CD1 LEU A 37 0.336 -8.276 -2.388 1.00 0.00 C ATOM 344 CD2 LEU A 37 -0.711 -8.150 -4.695 1.00 0.00 C ATOM 0 H LEU A 37 -2.975 -10.251 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.352 -11.655 -4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.198 -10.767 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.392 -10.454 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.638 -8.854 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.076 -7.228 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.287 -8.800 -1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.347 -8.346 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.951 -7.104 -4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.254 -8.214 -5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.481 -8.587 -5.331 1.00 0.00 H new ATOM 355 N HIS A 38 -2.696 -13.227 -3.074 1.00 0.00 N ATOM 356 CA HIS A 38 -2.895 -14.427 -2.280 1.00 0.00 C ATOM 357 C HIS A 38 -2.769 -14.084 -0.794 1.00 0.00 C ATOM 358 O HIS A 38 -2.068 -13.145 -0.427 1.00 0.00 O ATOM 359 CB HIS A 38 -1.932 -15.533 -2.718 1.00 0.00 C ATOM 360 CG HIS A 38 -2.122 -15.983 -4.145 1.00 0.00 C ATOM 361 ND1 HIS A 38 -1.593 -15.297 -5.226 1.00 0.00 N ATOM 362 CD2 HIS A 38 -2.788 -17.058 -4.661 1.00 0.00 C ATOM 363 CE1 HIS A 38 -1.932 -15.938 -6.334 1.00 0.00 C ATOM 364 NE2 HIS A 38 -2.672 -17.028 -5.982 1.00 0.00 N ATOM 0 H HIS A 38 -3.488 -12.969 -3.663 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.900 -14.815 -2.444 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.908 -15.180 -2.593 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -2.056 -16.391 -2.058 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.319 -17.806 -4.090 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.668 -15.648 -7.340 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.071 -17.709 -6.629 1.00 0.00 H new ATOM 371 N ILE A 39 -3.460 -14.869 0.020 1.00 0.00 N ATOM 372 CA ILE A 39 -3.436 -14.661 1.459 1.00 0.00 C ATOM 373 C ILE A 39 -2.010 -14.317 1.895 1.00 0.00 C ATOM 374 O ILE A 39 -1.076 -15.067 1.619 1.00 0.00 O ATOM 375 CB ILE A 39 -4.027 -15.871 2.186 1.00 0.00 C ATOM 376 CG1 ILE A 39 -5.455 -16.150 1.713 1.00 0.00 C ATOM 377 CG2 ILE A 39 -3.950 -15.691 3.703 1.00 0.00 C ATOM 378 CD1 ILE A 39 -5.517 -17.435 0.885 1.00 0.00 C ATOM 0 H ILE A 39 -4.040 -15.649 -0.289 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.067 -13.816 1.733 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.428 -16.746 1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.117 -16.236 2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.815 -15.311 1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.377 -16.565 4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.908 -15.578 4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.510 -14.802 3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.543 -17.610 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.873 -17.336 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.180 -18.275 1.492 1.00 0.00 H new ATOM 389 N SER A 40 -1.890 -13.183 2.571 1.00 0.00 N ATOM 390 CA SER A 40 -0.594 -12.731 3.049 1.00 0.00 C ATOM 391 C SER A 40 -0.729 -11.358 3.709 1.00 0.00 C ATOM 392 O SER A 40 0.075 -10.462 3.456 1.00 0.00 O ATOM 393 CB SER A 40 0.424 -12.674 1.908 1.00 0.00 C ATOM 394 OG SER A 40 1.703 -13.156 2.310 1.00 0.00 O ATOM 0 H SER A 40 -2.668 -12.564 2.799 1.00 0.00 H new ATOM 0 HA SER A 40 -0.233 -13.447 3.787 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.061 -13.266 1.068 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.518 -11.646 1.557 1.00 0.00 H new ATOM 0 HG SER A 40 2.222 -13.406 1.517 1.00 0.00 H new ATOM 399 N ILE A 41 -1.754 -11.235 4.539 1.00 0.00 N ATOM 400 CA ILE A 41 -2.005 -9.985 5.237 1.00 0.00 C ATOM 401 C ILE A 41 -0.763 -9.597 6.042 1.00 0.00 C ATOM 402 O ILE A 41 -0.406 -8.422 6.110 1.00 0.00 O ATOM 403 CB ILE A 41 -3.276 -10.089 6.081 1.00 0.00 C ATOM 404 CG1 ILE A 41 -4.525 -10.063 5.197 1.00 0.00 C ATOM 405 CG2 ILE A 41 -3.313 -9.000 7.156 1.00 0.00 C ATOM 406 CD1 ILE A 41 -5.790 -9.883 6.039 1.00 0.00 C ATOM 0 H ILE A 41 -2.420 -11.980 4.744 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.188 -9.181 4.524 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.265 -11.049 6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.446 -9.251 4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.592 -10.990 4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.227 -9.097 7.741 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.449 -9.107 7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.289 -8.019 6.681 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.663 -9.868 5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.879 -10.710 6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.731 -8.943 6.588 1.00 0.00 H new ATOM 417 N LYS A 42 -0.140 -10.607 6.633 1.00 0.00 N ATOM 418 CA LYS A 42 1.054 -10.386 7.432 1.00 0.00 C ATOM 419 C LYS A 42 2.177 -9.870 6.528 1.00 0.00 C ATOM 420 O LYS A 42 2.923 -8.970 6.912 1.00 0.00 O ATOM 421 CB LYS A 42 1.421 -11.651 8.209 1.00 0.00 C ATOM 422 CG LYS A 42 1.305 -11.421 9.716 1.00 0.00 C ATOM 423 CD LYS A 42 1.564 -12.716 10.490 1.00 0.00 C ATOM 424 CE LYS A 42 1.212 -12.551 11.969 1.00 0.00 C ATOM 425 NZ LYS A 42 1.237 -13.861 12.657 1.00 0.00 N ATOM 0 H LYS A 42 -0.440 -11.580 6.574 1.00 0.00 H new ATOM 0 HA LYS A 42 0.873 -9.620 8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.765 -12.469 7.911 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.439 -11.952 7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.019 -10.658 10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.311 -11.043 9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.973 -13.525 10.060 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.612 -12.999 10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.919 -11.871 12.444 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.224 -12.102 12.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.996 -13.731 13.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.545 -14.499 12.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.188 -14.275 12.581 1.00 0.00 H new ATOM 434 N THR A 43 2.262 -10.463 5.346 1.00 0.00 N ATOM 435 CA THR A 43 3.280 -10.076 4.387 1.00 0.00 C ATOM 436 C THR A 43 3.168 -8.585 4.060 1.00 0.00 C ATOM 437 O THR A 43 4.176 -7.915 3.846 1.00 0.00 O ATOM 438 CB THR A 43 3.141 -10.979 3.159 1.00 0.00 C ATOM 439 OG1 THR A 43 3.722 -12.214 3.568 1.00 0.00 O ATOM 440 CG2 THR A 43 4.021 -10.521 1.994 1.00 0.00 C ATOM 0 H THR A 43 1.642 -11.209 5.032 1.00 0.00 H new ATOM 0 HA THR A 43 4.281 -10.212 4.797 1.00 0.00 H new ATOM 0 HB THR A 43 2.099 -11.001 2.841 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.148 -12.956 3.284 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.885 -11.195 1.148 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.739 -9.510 1.701 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.067 -10.531 2.302 1.00 0.00 H new ATOM 448 N VAL A 44 1.931 -8.111 4.033 1.00 0.00 N ATOM 449 CA VAL A 44 1.673 -6.712 3.737 1.00 0.00 C ATOM 450 C VAL A 44 2.320 -5.839 4.814 1.00 0.00 C ATOM 451 O VAL A 44 2.981 -4.849 4.503 1.00 0.00 O ATOM 452 CB VAL A 44 0.168 -6.475 3.600 1.00 0.00 C ATOM 453 CG1 VAL A 44 -0.145 -4.981 3.492 1.00 0.00 C ATOM 454 CG2 VAL A 44 -0.402 -7.242 2.406 1.00 0.00 C ATOM 0 H VAL A 44 1.097 -8.670 4.211 1.00 0.00 H new ATOM 0 HA VAL A 44 2.120 -6.435 2.782 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.313 -6.854 4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.222 -4.841 3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.209 -4.469 4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.355 -4.567 2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.473 -7.056 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.088 -6.908 1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.228 -8.309 2.542 1.00 0.00 H new ATOM 464 N GLU A 45 2.107 -6.237 6.060 1.00 0.00 N ATOM 465 CA GLU A 45 2.661 -5.503 7.184 1.00 0.00 C ATOM 466 C GLU A 45 4.163 -5.286 6.991 1.00 0.00 C ATOM 467 O GLU A 45 4.694 -4.238 7.351 1.00 0.00 O ATOM 468 CB GLU A 45 2.378 -6.226 8.504 1.00 0.00 C ATOM 469 CG GLU A 45 2.329 -5.239 9.671 1.00 0.00 C ATOM 470 CD GLU A 45 2.609 -5.944 11.000 1.00 0.00 C ATOM 471 OE1 GLU A 45 1.721 -6.620 11.541 1.00 0.00 O ATOM 472 OE2 GLU A 45 3.798 -5.774 11.467 1.00 0.00 O ATOM 0 H GLU A 45 1.558 -7.058 6.315 1.00 0.00 H new ATOM 0 HA GLU A 45 2.176 -4.528 7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.430 -6.759 8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.151 -6.972 8.687 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.062 -4.448 9.514 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.349 -4.763 9.708 1.00 0.00 H new ATOM 478 N THR A 46 4.804 -6.295 6.418 1.00 0.00 N ATOM 479 CA THR A 46 6.234 -6.229 6.171 1.00 0.00 C ATOM 480 C THR A 46 6.516 -5.474 4.869 1.00 0.00 C ATOM 481 O THR A 46 7.519 -4.770 4.762 1.00 0.00 O ATOM 482 CB THR A 46 6.782 -7.658 6.174 1.00 0.00 C ATOM 483 OG1 THR A 46 6.845 -8.002 7.555 1.00 0.00 O ATOM 484 CG2 THR A 46 8.237 -7.729 5.704 1.00 0.00 C ATOM 0 H THR A 46 4.359 -7.162 6.118 1.00 0.00 H new ATOM 0 HA THR A 46 6.744 -5.668 6.954 1.00 0.00 H new ATOM 0 HB THR A 46 6.163 -8.285 5.532 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.189 -8.915 7.649 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.576 -8.765 5.725 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.310 -7.344 4.687 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.862 -7.129 6.365 1.00 0.00 H new ATOM 492 N HIS A 47 5.612 -5.645 3.917 1.00 0.00 N ATOM 493 CA HIS A 47 5.751 -4.988 2.628 1.00 0.00 C ATOM 494 C HIS A 47 5.541 -3.481 2.795 1.00 0.00 C ATOM 495 O HIS A 47 6.345 -2.682 2.319 1.00 0.00 O ATOM 496 CB HIS A 47 4.804 -5.607 1.598 1.00 0.00 C ATOM 497 CG HIS A 47 5.259 -6.948 1.073 1.00 0.00 C ATOM 498 ND1 HIS A 47 6.593 -7.315 1.010 1.00 0.00 N ATOM 499 CD2 HIS A 47 4.545 -8.004 0.590 1.00 0.00 C ATOM 500 CE1 HIS A 47 6.666 -8.539 0.508 1.00 0.00 C ATOM 501 NE2 HIS A 47 5.396 -8.965 0.248 1.00 0.00 N ATOM 0 H HIS A 47 4.781 -6.228 4.011 1.00 0.00 H new ATOM 0 HA HIS A 47 6.760 -5.140 2.246 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.818 -5.720 2.048 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.695 -4.918 0.760 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.470 -8.051 0.501 1.00 0.00 H new ATOM 0 HE1 HIS A 47 7.572 -9.101 0.335 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.142 -9.872 -0.144 1.00 0.00 H new ATOM 508 N ARG A 48 4.456 -3.138 3.474 1.00 0.00 N ATOM 509 CA ARG A 48 4.131 -1.742 3.710 1.00 0.00 C ATOM 510 C ARG A 48 5.312 -1.028 4.372 1.00 0.00 C ATOM 511 O ARG A 48 5.702 0.058 3.944 1.00 0.00 O ATOM 512 CB ARG A 48 2.896 -1.607 4.603 1.00 0.00 C ATOM 513 CG ARG A 48 3.068 -2.404 5.900 1.00 0.00 C ATOM 514 CD ARG A 48 3.634 -1.521 7.014 1.00 0.00 C ATOM 515 NE ARG A 48 2.708 -1.511 8.169 1.00 0.00 N ATOM 516 CZ ARG A 48 3.047 -1.086 9.405 1.00 0.00 C ATOM 517 NH1 ARG A 48 4.293 -0.633 9.657 1.00 0.00 N ATOM 518 NH2 ARG A 48 2.139 -1.121 10.364 1.00 0.00 N ATOM 0 H ARG A 48 3.791 -3.803 3.868 1.00 0.00 H new ATOM 0 HA ARG A 48 3.918 -1.283 2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.725 -0.556 4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.015 -1.962 4.068 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.107 -2.815 6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.734 -3.249 5.726 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.611 -1.892 7.323 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.781 -0.506 6.646 1.00 0.00 H new ATOM 0 HE ARG A 48 1.756 -1.846 8.022 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.988 -0.610 8.911 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.540 -0.314 10.594 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.200 -1.465 10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.377 -0.804 11.304 1.00 0.00 H new ATOM 528 N MET A 49 5.846 -1.664 5.404 1.00 0.00 N ATOM 529 CA MET A 49 6.972 -1.103 6.128 1.00 0.00 C ATOM 530 C MET A 49 8.111 -0.739 5.173 1.00 0.00 C ATOM 531 O MET A 49 8.754 0.298 5.334 1.00 0.00 O ATOM 532 CB MET A 49 7.473 -2.116 7.158 1.00 0.00 C ATOM 533 CG MET A 49 7.851 -1.424 8.469 1.00 0.00 C ATOM 534 SD MET A 49 7.260 -2.378 9.856 1.00 0.00 S ATOM 535 CE MET A 49 8.160 -1.591 11.182 1.00 0.00 C ATOM 0 H MET A 49 5.519 -2.564 5.756 1.00 0.00 H new ATOM 0 HA MET A 49 6.640 -0.195 6.631 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.700 -2.861 7.346 1.00 0.00 H new ATOM 0 HB3 MET A 49 8.338 -2.647 6.760 1.00 0.00 H new ATOM 0 HG2 MET A 49 8.933 -1.310 8.530 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.423 -0.422 8.497 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.906 -2.069 12.128 1.00 0.00 H new ATOM 0 HE2 MET A 49 9.231 -1.688 11.003 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.894 -0.535 11.226 1.00 0.00 H new ATOM 543 N ASN A 50 8.327 -1.611 4.199 1.00 0.00 N ATOM 544 CA ASN A 50 9.377 -1.395 3.220 1.00 0.00 C ATOM 545 C ASN A 50 9.065 -0.132 2.415 1.00 0.00 C ATOM 546 O ASN A 50 9.968 0.628 2.072 1.00 0.00 O ATOM 547 CB ASN A 50 9.468 -2.568 2.242 1.00 0.00 C ATOM 548 CG ASN A 50 10.770 -3.347 2.440 1.00 0.00 C ATOM 549 OD1 ASN A 50 11.816 -3.001 1.918 1.00 0.00 O ATOM 550 ND2 ASN A 50 10.647 -4.417 3.222 1.00 0.00 N ATOM 0 H ASN A 50 7.792 -2.469 4.067 1.00 0.00 H new ATOM 0 HA ASN A 50 10.322 -1.297 3.755 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.617 -3.233 2.386 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.414 -2.198 1.218 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.459 -5.003 3.415 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.741 -4.651 3.628 1.00 0.00 H new ATOM 556 N MET A 51 7.783 0.052 2.135 1.00 0.00 N ATOM 557 CA MET A 51 7.340 1.208 1.377 1.00 0.00 C ATOM 558 C MET A 51 7.550 2.499 2.173 1.00 0.00 C ATOM 559 O MET A 51 7.728 3.569 1.593 1.00 0.00 O ATOM 560 CB MET A 51 5.857 1.058 1.032 1.00 0.00 C ATOM 561 CG MET A 51 5.667 0.144 -0.180 1.00 0.00 C ATOM 562 SD MET A 51 4.835 -1.357 0.310 1.00 0.00 S ATOM 563 CE MET A 51 3.141 -0.799 0.272 1.00 0.00 C ATOM 0 H MET A 51 7.036 -0.582 2.420 1.00 0.00 H new ATOM 0 HA MET A 51 7.930 1.265 0.462 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.320 0.649 1.888 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.427 2.038 0.824 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.086 0.658 -0.946 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.635 -0.095 -0.621 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.478 -1.633 0.503 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.001 -0.009 1.010 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.907 -0.413 -0.720 1.00 0.00 H new ATOM 571 N MET A 52 7.522 2.355 3.490 1.00 0.00 N ATOM 572 CA MET A 52 7.707 3.497 4.371 1.00 0.00 C ATOM 573 C MET A 52 9.154 3.992 4.329 1.00 0.00 C ATOM 574 O MET A 52 9.407 5.190 4.451 1.00 0.00 O ATOM 575 CB MET A 52 7.344 3.098 5.804 1.00 0.00 C ATOM 576 CG MET A 52 5.895 2.614 5.888 1.00 0.00 C ATOM 577 SD MET A 52 4.802 3.833 5.177 1.00 0.00 S ATOM 578 CE MET A 52 4.033 2.850 3.900 1.00 0.00 C ATOM 0 H MET A 52 7.374 1.466 3.968 1.00 0.00 H new ATOM 0 HA MET A 52 7.057 4.304 4.033 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.015 2.310 6.147 1.00 0.00 H new ATOM 0 HB3 MET A 52 7.486 3.950 6.469 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.788 1.666 5.360 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.623 2.432 6.928 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.088 3.308 3.608 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.693 2.797 3.034 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.848 1.844 4.277 1.00 0.00 H new ATOM 586 N ARG A 53 10.065 3.046 4.159 1.00 0.00 N ATOM 587 CA ARG A 53 11.480 3.372 4.100 1.00 0.00 C ATOM 588 C ARG A 53 11.855 3.853 2.696 1.00 0.00 C ATOM 589 O ARG A 53 12.572 4.841 2.546 1.00 0.00 O ATOM 590 CB ARG A 53 12.341 2.161 4.463 1.00 0.00 C ATOM 591 CG ARG A 53 12.743 2.197 5.939 1.00 0.00 C ATOM 592 CD ARG A 53 13.474 0.914 6.340 1.00 0.00 C ATOM 593 NE ARG A 53 14.329 1.168 7.522 1.00 0.00 N ATOM 594 CZ ARG A 53 15.254 0.301 7.985 1.00 0.00 C ATOM 595 NH1 ARG A 53 15.453 -0.884 7.369 1.00 0.00 N ATOM 596 NH2 ARG A 53 15.963 0.630 9.050 1.00 0.00 N ATOM 0 H ARG A 53 9.851 2.054 4.060 1.00 0.00 H new ATOM 0 HA ARG A 53 11.668 4.166 4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.791 1.243 4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.235 2.146 3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.385 3.058 6.124 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.855 2.323 6.558 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.752 0.129 6.565 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.084 0.558 5.509 1.00 0.00 H new ATOM 0 HE ARG A 53 14.212 2.052 8.017 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.902 -1.130 6.547 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.154 -1.533 7.726 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.807 1.527 9.509 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.666 -0.013 9.413 1.00 0.00 H new ATOM 606 N LYS A 54 11.353 3.132 1.705 1.00 0.00 N ATOM 607 CA LYS A 54 11.628 3.473 0.319 1.00 0.00 C ATOM 608 C LYS A 54 11.031 4.848 0.008 1.00 0.00 C ATOM 609 O LYS A 54 11.753 5.772 -0.364 1.00 0.00 O ATOM 610 CB LYS A 54 11.134 2.364 -0.613 1.00 0.00 C ATOM 611 CG LYS A 54 12.242 1.345 -0.886 1.00 0.00 C ATOM 612 CD LYS A 54 13.437 2.005 -1.578 1.00 0.00 C ATOM 613 CE LYS A 54 14.620 2.138 -0.618 1.00 0.00 C ATOM 614 NZ LYS A 54 15.507 0.957 -0.720 1.00 0.00 N ATOM 0 H LYS A 54 10.758 2.314 1.833 1.00 0.00 H new ATOM 0 HA LYS A 54 12.702 3.546 0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.276 1.863 -0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.794 2.798 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.565 0.893 0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.855 0.540 -1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.732 1.414 -2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.150 2.990 -1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.182 3.043 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.256 2.240 0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.305 1.064 -0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.972 0.099 -0.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.869 0.877 -1.692 1.00 0.00 H new ATOM 623 N LEU A 55 9.720 4.939 0.174 1.00 0.00 N ATOM 624 CA LEU A 55 9.019 6.184 -0.084 1.00 0.00 C ATOM 625 C LEU A 55 9.412 7.215 0.977 1.00 0.00 C ATOM 626 O LEU A 55 9.255 8.418 0.767 1.00 0.00 O ATOM 627 CB LEU A 55 7.511 5.942 -0.176 1.00 0.00 C ATOM 628 CG LEU A 55 7.061 4.904 -1.207 1.00 0.00 C ATOM 629 CD1 LEU A 55 6.267 3.779 -0.540 1.00 0.00 C ATOM 630 CD2 LEU A 55 6.277 5.564 -2.344 1.00 0.00 C ATOM 0 H LEU A 55 9.125 4.171 0.484 1.00 0.00 H new ATOM 0 HA LEU A 55 9.312 6.592 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.152 5.630 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.024 6.889 -0.407 1.00 0.00 H new ATOM 0 HG LEU A 55 7.950 4.453 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.959 3.055 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.891 3.285 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.384 4.195 -0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.969 4.804 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.394 6.058 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.908 6.300 -2.842 1.00 0.00 H new ATOM 641 N GLN A 56 9.914 6.707 2.092 1.00 0.00 N ATOM 642 CA GLN A 56 10.331 7.568 3.186 1.00 0.00 C ATOM 643 C GLN A 56 9.128 8.328 3.749 1.00 0.00 C ATOM 644 O GLN A 56 9.262 9.467 4.193 1.00 0.00 O ATOM 645 CB GLN A 56 11.428 8.534 2.735 1.00 0.00 C ATOM 646 CG GLN A 56 12.756 7.802 2.537 1.00 0.00 C ATOM 647 CD GLN A 56 13.941 8.736 2.790 1.00 0.00 C ATOM 648 OE1 GLN A 56 14.467 9.369 1.889 1.00 0.00 O ATOM 649 NE2 GLN A 56 14.329 8.787 4.061 1.00 0.00 N ATOM 0 H GLN A 56 10.042 5.709 2.262 1.00 0.00 H new ATOM 0 HA GLN A 56 10.746 6.944 3.978 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.132 9.016 1.803 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.551 9.323 3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.810 6.949 3.214 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.810 7.407 1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.844 8.231 4.765 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.112 9.383 4.332 1.00 0.00 H new ATOM 656 N VAL A 57 7.981 7.666 3.716 1.00 0.00 N ATOM 657 CA VAL A 57 6.756 8.265 4.219 1.00 0.00 C ATOM 658 C VAL A 57 6.568 7.876 5.687 1.00 0.00 C ATOM 659 O VAL A 57 7.542 7.726 6.422 1.00 0.00 O ATOM 660 CB VAL A 57 5.574 7.858 3.336 1.00 0.00 C ATOM 661 CG1 VAL A 57 5.860 8.164 1.864 1.00 0.00 C ATOM 662 CG2 VAL A 57 5.226 6.382 3.533 1.00 0.00 C ATOM 0 H VAL A 57 7.874 6.720 3.349 1.00 0.00 H new ATOM 0 HA VAL A 57 6.817 9.352 4.177 1.00 0.00 H new ATOM 0 HB VAL A 57 4.709 8.448 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.005 7.866 1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.036 9.233 1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.743 7.612 1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.383 6.119 2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.087 5.767 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.960 6.207 4.575 1.00 0.00 H new ATOM 672 N HIS A 58 5.309 7.722 6.069 1.00 0.00 N ATOM 673 CA HIS A 58 4.980 7.352 7.434 1.00 0.00 C ATOM 674 C HIS A 58 4.423 5.928 7.461 1.00 0.00 C ATOM 675 O HIS A 58 5.154 4.975 7.724 1.00 0.00 O ATOM 676 CB HIS A 58 4.029 8.374 8.060 1.00 0.00 C ATOM 677 CG HIS A 58 4.724 9.473 8.826 1.00 0.00 C ATOM 678 ND1 HIS A 58 4.266 9.945 10.043 1.00 0.00 N ATOM 679 CD2 HIS A 58 5.850 10.188 8.535 1.00 0.00 C ATOM 680 CE1 HIS A 58 5.086 10.900 10.457 1.00 0.00 C ATOM 681 NE2 HIS A 58 6.065 11.049 9.521 1.00 0.00 N ATOM 0 H HIS A 58 4.504 7.847 5.456 1.00 0.00 H new ATOM 0 HA HIS A 58 5.883 7.362 8.044 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.424 8.822 7.272 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.345 7.855 8.731 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.462 10.072 7.652 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.994 11.462 11.375 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.837 11.714 9.570 1.00 0.00 H new ATOM 688 N LYS A 59 3.130 5.828 7.184 1.00 0.00 N ATOM 689 CA LYS A 59 2.466 4.536 7.173 1.00 0.00 C ATOM 690 C LYS A 59 1.725 4.360 5.845 1.00 0.00 C ATOM 691 O LYS A 59 1.836 5.198 4.952 1.00 0.00 O ATOM 692 CB LYS A 59 1.568 4.384 8.402 1.00 0.00 C ATOM 693 CG LYS A 59 1.416 2.912 8.791 1.00 0.00 C ATOM 694 CD LYS A 59 1.437 2.742 10.312 1.00 0.00 C ATOM 695 CE LYS A 59 0.102 2.192 10.822 1.00 0.00 C ATOM 696 NZ LYS A 59 -0.896 3.277 10.936 1.00 0.00 N ATOM 0 H LYS A 59 2.526 6.620 6.966 1.00 0.00 H new ATOM 0 HA LYS A 59 3.198 3.731 7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.991 4.943 9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.587 4.812 8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.481 2.521 8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.222 2.329 8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.244 2.066 10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.644 3.702 10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.265 1.423 10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.245 1.718 11.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.795 2.886 11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.551 3.997 11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.045 3.711 10.003 1.00 0.00 H new ATOM 705 N VAL A 60 0.985 3.264 5.758 1.00 0.00 N ATOM 706 CA VAL A 60 0.226 2.967 4.556 1.00 0.00 C ATOM 707 C VAL A 60 -0.670 4.160 4.215 1.00 0.00 C ATOM 708 O VAL A 60 -0.927 4.435 3.044 1.00 0.00 O ATOM 709 CB VAL A 60 -0.557 1.665 4.738 1.00 0.00 C ATOM 710 CG1 VAL A 60 -1.561 1.466 3.601 1.00 0.00 C ATOM 711 CG2 VAL A 60 0.390 0.468 4.850 1.00 0.00 C ATOM 0 H VAL A 60 0.895 2.571 6.501 1.00 0.00 H new ATOM 0 HA VAL A 60 0.897 2.812 3.711 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.117 1.737 5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.104 0.534 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.265 2.298 3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.030 1.424 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.191 -0.445 4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.989 0.392 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.048 0.603 5.709 1.00 0.00 H new ATOM 721 N THR A 61 -1.121 4.838 5.262 1.00 0.00 N ATOM 722 CA THR A 61 -1.983 5.995 5.089 1.00 0.00 C ATOM 723 C THR A 61 -1.222 7.128 4.399 1.00 0.00 C ATOM 724 O THR A 61 -1.692 7.685 3.410 1.00 0.00 O ATOM 725 CB THR A 61 -2.536 6.381 6.461 1.00 0.00 C ATOM 726 OG1 THR A 61 -3.521 5.386 6.732 1.00 0.00 O ATOM 727 CG2 THR A 61 -3.329 7.691 6.426 1.00 0.00 C ATOM 0 H THR A 61 -0.905 4.608 6.232 1.00 0.00 H new ATOM 0 HA THR A 61 -2.825 5.767 4.436 1.00 0.00 H new ATOM 0 HB THR A 61 -1.714 6.473 7.170 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.930 5.560 7.606 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.699 7.919 7.425 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.682 8.499 6.086 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.171 7.588 5.742 1.00 0.00 H new ATOM 735 N GLU A 62 -0.056 7.437 4.950 1.00 0.00 N ATOM 736 CA GLU A 62 0.776 8.494 4.401 1.00 0.00 C ATOM 737 C GLU A 62 1.214 8.139 2.978 1.00 0.00 C ATOM 738 O GLU A 62 1.285 9.011 2.112 1.00 0.00 O ATOM 739 CB GLU A 62 1.987 8.761 5.297 1.00 0.00 C ATOM 740 CG GLU A 62 2.833 9.910 4.747 1.00 0.00 C ATOM 741 CD GLU A 62 2.423 11.242 5.376 1.00 0.00 C ATOM 742 OE1 GLU A 62 1.887 11.263 6.494 1.00 0.00 O ATOM 743 OE2 GLU A 62 2.682 12.286 4.662 1.00 0.00 O ATOM 0 H GLU A 62 0.332 6.973 5.771 1.00 0.00 H new ATOM 0 HA GLU A 62 0.187 9.410 4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.651 9.002 6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.595 7.860 5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.887 9.718 4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.719 9.965 3.664 1.00 0.00 H new ATOM 749 N LEU A 63 1.497 6.861 2.782 1.00 0.00 N ATOM 750 CA LEU A 63 1.926 6.380 1.479 1.00 0.00 C ATOM 751 C LEU A 63 0.768 6.505 0.487 1.00 0.00 C ATOM 752 O LEU A 63 0.981 6.821 -0.683 1.00 0.00 O ATOM 753 CB LEU A 63 2.491 4.962 1.591 1.00 0.00 C ATOM 754 CG LEU A 63 2.558 4.163 0.287 1.00 0.00 C ATOM 755 CD1 LEU A 63 3.415 4.885 -0.754 1.00 0.00 C ATOM 756 CD2 LEU A 63 3.046 2.737 0.543 1.00 0.00 C ATOM 0 H LEU A 63 1.438 6.142 3.503 1.00 0.00 H new ATOM 0 HA LEU A 63 2.741 6.994 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.496 5.024 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.884 4.405 2.305 1.00 0.00 H new ATOM 0 HG LEU A 63 1.550 4.089 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.446 4.296 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.983 5.863 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.427 5.010 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.084 2.191 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.042 2.767 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.360 2.235 1.226 1.00 0.00 H new ATOM 767 N LEU A 64 -0.431 6.254 0.991 1.00 0.00 N ATOM 768 CA LEU A 64 -1.622 6.335 0.164 1.00 0.00 C ATOM 769 C LEU A 64 -1.677 7.707 -0.511 1.00 0.00 C ATOM 770 O LEU A 64 -1.958 7.805 -1.704 1.00 0.00 O ATOM 771 CB LEU A 64 -2.868 6.003 0.986 1.00 0.00 C ATOM 772 CG LEU A 64 -3.177 4.516 1.166 1.00 0.00 C ATOM 773 CD1 LEU A 64 -3.790 4.247 2.542 1.00 0.00 C ATOM 774 CD2 LEU A 64 -4.064 3.997 0.033 1.00 0.00 C ATOM 0 H LEU A 64 -0.603 5.994 1.962 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.585 5.590 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.758 6.453 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.728 6.478 0.513 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.238 3.965 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.000 3.182 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.090 4.555 3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.717 4.812 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.268 2.937 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.004 4.550 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.554 4.134 -0.920 1.00 0.00 H new ATOM 785 N ASN A 65 -1.403 8.732 0.283 1.00 0.00 N ATOM 786 CA ASN A 65 -1.418 10.095 -0.223 1.00 0.00 C ATOM 787 C ASN A 65 -0.300 10.264 -1.253 1.00 0.00 C ATOM 788 O ASN A 65 -0.430 11.046 -2.194 1.00 0.00 O ATOM 789 CB ASN A 65 -1.180 11.103 0.904 1.00 0.00 C ATOM 790 CG ASN A 65 -1.336 12.538 0.398 1.00 0.00 C ATOM 791 OD1 ASN A 65 -0.389 13.183 -0.017 1.00 0.00 O ATOM 792 ND2 ASN A 65 -2.582 12.999 0.454 1.00 0.00 N ATOM 0 H ASN A 65 -1.169 8.646 1.272 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.395 10.278 -0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.885 10.921 1.715 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.180 10.965 1.315 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.790 13.946 0.138 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.330 12.405 0.813 1.00 0.00 H new ATOM 798 N CYS A 66 0.775 9.520 -1.039 1.00 0.00 N ATOM 799 CA CYS A 66 1.915 9.578 -1.937 1.00 0.00 C ATOM 800 C CYS A 66 1.457 9.130 -3.327 1.00 0.00 C ATOM 801 O CYS A 66 1.602 9.867 -4.299 1.00 0.00 O ATOM 802 CB CYS A 66 3.084 8.735 -1.422 1.00 0.00 C ATOM 803 SG CYS A 66 4.445 9.824 -0.864 1.00 0.00 S ATOM 0 H CYS A 66 0.880 8.874 -0.257 1.00 0.00 H new ATOM 0 HA CYS A 66 2.286 10.601 -1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.752 8.103 -0.598 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.439 8.071 -2.210 1.00 0.00 H new ATOM 0 HG CYS A 66 5.555 9.149 -0.831 1.00 0.00 H new ATOM 808 N ALA A 67 0.913 7.922 -3.374 1.00 0.00 N ATOM 809 CA ALA A 67 0.433 7.367 -4.628 1.00 0.00 C ATOM 810 C ALA A 67 -0.708 8.237 -5.160 1.00 0.00 C ATOM 811 O ALA A 67 -0.740 8.567 -6.345 1.00 0.00 O ATOM 812 CB ALA A 67 0.006 5.914 -4.413 1.00 0.00 C ATOM 0 H ALA A 67 0.794 7.313 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 67 1.225 7.366 -5.377 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.354 5.498 -5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.858 5.333 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.791 5.875 -3.670 1.00 0.00 H new ATOM 818 N ARG A 68 -1.618 8.581 -4.260 1.00 0.00 N ATOM 819 CA ARG A 68 -2.757 9.405 -4.625 1.00 0.00 C ATOM 820 C ARG A 68 -2.284 10.714 -5.262 1.00 0.00 C ATOM 821 O ARG A 68 -2.840 11.157 -6.265 1.00 0.00 O ATOM 822 CB ARG A 68 -3.621 9.724 -3.403 1.00 0.00 C ATOM 823 CG ARG A 68 -4.544 8.551 -3.064 1.00 0.00 C ATOM 824 CD ARG A 68 -5.131 8.704 -1.660 1.00 0.00 C ATOM 825 NE ARG A 68 -5.982 7.537 -1.337 1.00 0.00 N ATOM 826 CZ ARG A 68 -6.721 7.427 -0.211 1.00 0.00 C ATOM 827 NH1 ARG A 68 -6.719 8.415 0.708 1.00 0.00 N ATOM 828 NH2 ARG A 68 -7.445 6.339 -0.025 1.00 0.00 N ATOM 0 H ARG A 68 -1.589 8.304 -3.279 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.355 8.843 -5.342 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.981 9.947 -2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.217 10.616 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.350 8.495 -3.795 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.988 7.616 -3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.328 8.792 -0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.718 9.620 -1.600 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.013 6.768 -2.006 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.157 9.252 0.555 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.280 8.324 1.555 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.441 5.598 -0.726 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.009 6.240 0.819 1.00 0.00 H new ATOM 838 N ARG A 69 -1.263 11.295 -4.652 1.00 0.00 N ATOM 839 CA ARG A 69 -0.708 12.544 -5.145 1.00 0.00 C ATOM 840 C ARG A 69 -1.783 13.633 -5.160 1.00 0.00 C ATOM 841 O ARG A 69 -1.979 14.303 -6.172 1.00 0.00 O ATOM 842 CB ARG A 69 -0.144 12.375 -6.558 1.00 0.00 C ATOM 843 CG ARG A 69 1.223 11.690 -6.523 1.00 0.00 C ATOM 844 CD ARG A 69 2.030 12.014 -7.784 1.00 0.00 C ATOM 845 NE ARG A 69 3.311 12.657 -7.412 1.00 0.00 N ATOM 846 CZ ARG A 69 4.389 12.721 -8.223 1.00 0.00 C ATOM 847 NH1 ARG A 69 4.348 12.182 -9.459 1.00 0.00 N ATOM 848 NH2 ARG A 69 5.481 13.319 -7.788 1.00 0.00 N ATOM 0 H ARG A 69 -0.805 10.924 -3.820 1.00 0.00 H new ATOM 0 HA ARG A 69 0.101 12.836 -4.475 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.835 11.786 -7.161 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.054 13.350 -7.037 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.774 12.015 -5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.091 10.611 -6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.222 11.101 -8.348 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.456 12.675 -8.433 1.00 0.00 H new ATOM 0 HE ARG A 69 3.384 13.078 -6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.499 11.722 -9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.166 12.234 -10.066 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.502 13.724 -6.852 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.304 13.376 -8.387 1.00 0.00 H new ATOM 858 N MET A 70 -2.450 13.776 -4.024 1.00 0.00 N ATOM 859 CA MET A 70 -3.500 14.772 -3.893 1.00 0.00 C ATOM 860 C MET A 70 -4.650 14.488 -4.863 1.00 0.00 C ATOM 861 O MET A 70 -5.049 15.363 -5.630 1.00 0.00 O ATOM 862 CB MET A 70 -2.924 16.160 -4.176 1.00 0.00 C ATOM 863 CG MET A 70 -1.824 16.513 -3.173 1.00 0.00 C ATOM 864 SD MET A 70 -2.121 18.134 -2.487 1.00 0.00 S ATOM 865 CE MET A 70 -0.518 18.877 -2.743 1.00 0.00 C ATOM 0 H MET A 70 -2.284 13.219 -3.186 1.00 0.00 H new ATOM 0 HA MET A 70 -3.890 14.731 -2.876 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.521 16.191 -5.188 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.719 16.904 -4.126 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.796 15.771 -2.375 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.851 16.490 -3.664 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.527 19.901 -2.368 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.239 18.302 -2.209 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.285 18.883 -3.808 1.00 0.00 H new ATOM 873 N ARG A 71 -5.148 13.263 -4.796 1.00 0.00 N ATOM 874 CA ARG A 71 -6.243 12.852 -5.658 1.00 0.00 C ATOM 875 C ARG A 71 -7.584 13.257 -5.043 1.00 0.00 C ATOM 876 O ARG A 71 -8.370 13.966 -5.667 1.00 0.00 O ATOM 877 CB ARG A 71 -6.229 11.339 -5.884 1.00 0.00 C ATOM 878 CG ARG A 71 -5.675 10.997 -7.269 1.00 0.00 C ATOM 879 CD ARG A 71 -6.661 10.131 -8.056 1.00 0.00 C ATOM 880 NE ARG A 71 -5.966 8.948 -8.609 1.00 0.00 N ATOM 881 CZ ARG A 71 -5.340 8.929 -9.806 1.00 0.00 C ATOM 882 NH1 ARG A 71 -5.317 10.032 -10.584 1.00 0.00 N ATOM 883 NH2 ARG A 71 -4.751 7.816 -10.202 1.00 0.00 N ATOM 0 H ARG A 71 -4.813 12.541 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.114 13.352 -6.618 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.622 10.859 -5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.240 10.943 -5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.472 11.915 -7.820 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.726 10.471 -7.165 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.477 9.813 -7.407 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.105 10.713 -8.864 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.959 8.094 -8.052 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.774 10.888 -10.269 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.842 10.010 -11.487 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.773 6.988 -9.607 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.274 7.784 -11.103 1.00 0.00 H new ATOM 893 N LEU A 72 -7.803 12.788 -3.822 1.00 0.00 N ATOM 894 CA LEU A 72 -9.035 13.093 -3.113 1.00 0.00 C ATOM 895 C LEU A 72 -10.188 12.311 -3.747 1.00 0.00 C ATOM 896 O LEU A 72 -11.080 12.898 -4.356 1.00 0.00 O ATOM 897 CB LEU A 72 -9.268 14.605 -3.068 1.00 0.00 C ATOM 898 CG LEU A 72 -8.102 15.447 -2.553 1.00 0.00 C ATOM 899 CD1 LEU A 72 -7.466 16.256 -3.687 1.00 0.00 C ATOM 900 CD2 LEU A 72 -8.540 16.339 -1.391 1.00 0.00 C ATOM 0 H LEU A 72 -7.148 12.200 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.966 12.774 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.519 14.944 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.137 14.800 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.337 14.771 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.639 16.846 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.094 15.577 -4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.212 16.921 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.691 16.927 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.333 17.008 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.909 15.718 -0.575 1.00 0.00 H new ATOM 911 N ILE A 73 -10.132 10.997 -3.579 1.00 0.00 N ATOM 912 CA ILE A 73 -11.160 10.130 -4.126 1.00 0.00 C ATOM 913 C ILE A 73 -12.055 9.628 -2.992 1.00 0.00 C ATOM 914 O ILE A 73 -13.240 9.373 -3.197 1.00 0.00 O ATOM 915 CB ILE A 73 -10.530 9.008 -4.955 1.00 0.00 C ATOM 916 CG1 ILE A 73 -9.766 8.029 -4.061 1.00 0.00 C ATOM 917 CG2 ILE A 73 -9.648 9.578 -6.067 1.00 0.00 C ATOM 918 CD1 ILE A 73 -8.296 8.435 -3.936 1.00 0.00 C ATOM 0 H ILE A 73 -9.391 10.513 -3.072 1.00 0.00 H new ATOM 0 HA ILE A 73 -11.798 10.684 -4.814 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.331 8.446 -5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.224 8.000 -3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.835 7.023 -4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.212 8.760 -6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.251 10.203 -6.726 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.851 10.178 -5.628 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.775 7.723 -3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.835 8.440 -4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.230 9.432 -3.500 1.00 0.00 H new ATOM 929 N GLU A 74 -11.453 9.500 -1.818 1.00 0.00 N ATOM 930 CA GLU A 74 -12.180 9.033 -0.651 1.00 0.00 C ATOM 931 C GLU A 74 -12.769 7.647 -0.912 1.00 0.00 C ATOM 932 O GLU A 74 -13.955 7.418 -0.676 1.00 0.00 O ATOM 933 CB GLU A 74 -13.272 10.028 -0.251 1.00 0.00 C ATOM 934 CG GLU A 74 -13.141 10.425 1.221 1.00 0.00 C ATOM 935 CD GLU A 74 -14.205 11.453 1.609 1.00 0.00 C ATOM 936 OE1 GLU A 74 -13.870 12.607 1.915 1.00 0.00 O ATOM 937 OE2 GLU A 74 -15.419 11.017 1.585 1.00 0.00 O ATOM 0 H GLU A 74 -10.469 9.712 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.481 8.957 0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.206 10.917 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.253 9.586 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.239 9.540 1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.149 10.837 1.403 1.00 0.00 H new ATOM 943 N TYR A 75 -11.915 6.757 -1.397 1.00 0.00 N ATOM 944 CA TYR A 75 -12.338 5.398 -1.693 1.00 0.00 C ATOM 945 C TYR A 75 -12.518 4.588 -0.408 1.00 0.00 C ATOM 946 O TYR A 75 -11.811 4.807 0.573 1.00 0.00 O ATOM 947 CB TYR A 75 -11.211 4.778 -2.520 1.00 0.00 C ATOM 948 CG TYR A 75 -11.681 3.713 -3.513 1.00 0.00 C ATOM 949 CD1 TYR A 75 -12.359 4.086 -4.655 1.00 0.00 C ATOM 950 CD2 TYR A 75 -11.425 2.379 -3.267 1.00 0.00 C ATOM 951 CE1 TYR A 75 -12.802 3.085 -5.590 1.00 0.00 C ATOM 952 CE2 TYR A 75 -11.868 1.377 -4.201 1.00 0.00 C ATOM 953 CZ TYR A 75 -12.534 1.779 -5.317 1.00 0.00 C ATOM 954 OH TYR A 75 -12.951 0.833 -6.200 1.00 0.00 O ATOM 0 H TYR A 75 -10.933 6.950 -1.592 1.00 0.00 H new ATOM 0 HA TYR A 75 -13.292 5.398 -2.220 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -10.698 5.569 -3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -10.481 4.333 -1.844 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -12.558 5.130 -4.848 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.892 2.087 -2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -13.335 3.364 -6.487 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -11.676 0.330 -4.020 1.00 0.00 H new ATOM 0 HH TYR A 75 -12.690 -0.054 -5.876 1.00 0.00 H new TER 963 TYR A 75