USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 443 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 Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 85 GLN :FLIP amide:sc= 0.127 F(o=-0.61,f=0.13) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -170:sc= 0.0984 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= -0.0164 (180deg=-0.175) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 173:sc=-0.000475 (180deg=-0.0856) USER MOD Single : A 104 CYS SG : rot 28:sc= 0.0933 USER MOD Single : A 106 HIS : no HE2:sc= -3.77! C(o=-3.8!,f=-6.1!) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.118 F(o=-2.2,f=-0.12) USER MOD Single : A 108 CYS SG : rot 125:sc= 0.175! USER MOD Single : A 109 SER OG : rot 153:sc= 1.4 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.0122 K(o=-0.012,f=-0.77) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 25:sc= 0.509 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -1.9 K(o=-1.9,f=-4.1!) USER MOD Single : A 129 LYS NZ :NH3+ -130:sc= -0.199 (180deg=-1.09) USER MOD Single : A 131 MET CE :methyl 162:sc= 0 (180deg=-0.619) USER MOD Single : A 135 ASN : amide:sc= 0.303 K(o=0.3,f=-0.84) USER MOD Single : A 139 LYS NZ :NH3+ -165:sc= -0.0362 (180deg=-0.289) USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 141 GLN : amide:sc= -0.14 K(o=-0.14,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 83 -9.549 5.221 -12.178 1.00 0.00 N ATOM 2 CA GLN A 83 -10.163 6.352 -11.438 1.00 0.00 C ATOM 3 C GLN A 83 -11.581 6.007 -10.996 1.00 0.00 C ATOM 4 O GLN A 83 -12.555 6.412 -11.629 1.00 0.00 O ATOM 5 CB GLN A 83 -10.183 7.605 -12.313 1.00 0.00 C ATOM 6 CG GLN A 83 -8.804 8.042 -12.784 1.00 0.00 C ATOM 7 CD GLN A 83 -8.837 9.355 -13.539 1.00 0.00 C ATOM 8 OE1 GLN A 83 -9.685 10.209 -13.285 1.00 0.00 O ATOM 9 NE2 GLN A 83 -7.910 9.523 -14.476 1.00 0.00 N ATOM 0 HA GLN A 83 -9.561 6.543 -10.550 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.813 7.420 -13.183 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -10.642 8.421 -11.754 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.143 8.139 -11.922 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.381 7.269 -13.425 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.225 8.788 -14.654 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -7.883 10.387 -15.018 1.00 0.00 H new ATOM 18 N GLU A 84 -11.688 5.255 -9.905 1.00 0.00 N ATOM 19 CA GLU A 84 -12.987 4.854 -9.379 1.00 0.00 C ATOM 20 C GLU A 84 -12.979 4.853 -7.854 1.00 0.00 C ATOM 21 O GLU A 84 -12.404 3.963 -7.227 1.00 0.00 O ATOM 22 CB GLU A 84 -13.364 3.465 -9.902 1.00 0.00 C ATOM 23 CG GLU A 84 -14.758 3.021 -9.497 1.00 0.00 C ATOM 24 CD GLU A 84 -15.837 3.952 -10.013 1.00 0.00 C ATOM 25 OE1 GLU A 84 -16.276 3.771 -11.168 1.00 0.00 O ATOM 26 OE2 GLU A 84 -16.245 4.863 -9.262 1.00 0.00 O ATOM 0 H GLU A 84 -10.891 4.912 -9.369 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.729 5.576 -9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.293 3.464 -10.990 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.639 2.739 -9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.939 2.015 -9.875 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.817 2.968 -8.410 1.00 0.00 H new ATOM 33 N GLN A 85 -13.620 5.856 -7.264 1.00 0.00 N ATOM 34 CA GLN A 85 -13.686 5.973 -5.811 1.00 0.00 C ATOM 35 C GLN A 85 -14.691 7.046 -5.397 1.00 0.00 C ATOM 36 O GLN A 85 -14.314 8.093 -4.870 1.00 0.00 O ATOM 37 CB GLN A 85 -12.303 6.303 -5.243 1.00 0.00 C ATOM 38 CG GLN A 85 -12.280 6.431 -3.727 1.00 0.00 C ATOM 39 CD GLN A 85 -10.876 6.591 -3.168 1.00 0.00 C ATOM 40 OE1 GLN A 85 -10.000 7.249 -3.921 1.00 0.00 O flip ATOM 41 NE2 GLN A 85 -10.585 6.133 -2.063 1.00 0.00 N flip ATOM 0 H GLN A 85 -14.101 6.600 -7.769 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.018 5.016 -5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -11.601 5.525 -5.544 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -11.952 7.236 -5.683 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.883 7.289 -3.431 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.743 5.548 -3.286 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.287 5.634 -1.517 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.642 6.252 -1.694 1.00 0.00 H new ATOM 50 N LYS A 86 -15.970 6.778 -5.644 1.00 0.00 N ATOM 51 CA LYS A 86 -17.029 7.720 -5.297 1.00 0.00 C ATOM 52 C LYS A 86 -17.930 7.152 -4.205 1.00 0.00 C ATOM 53 O LYS A 86 -18.527 7.899 -3.428 1.00 0.00 O ATOM 54 CB LYS A 86 -17.862 8.061 -6.534 1.00 0.00 C ATOM 55 CG LYS A 86 -18.583 6.862 -7.131 1.00 0.00 C ATOM 56 CD LYS A 86 -19.423 7.258 -8.334 1.00 0.00 C ATOM 57 CE LYS A 86 -18.563 7.837 -9.446 1.00 0.00 C ATOM 58 NZ LYS A 86 -19.381 8.273 -10.612 1.00 0.00 N ATOM 0 H LYS A 86 -16.298 5.917 -6.083 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.561 8.629 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -18.597 8.821 -6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.211 8.497 -7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.853 6.108 -7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -19.222 6.407 -6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.962 6.387 -8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.171 7.991 -8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.997 8.686 -9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.838 7.090 -9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.757 8.662 -11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -19.902 7.458 -10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -20.056 9.004 -10.309 1.00 0.00 H new ATOM 72 N GLY A 87 -18.027 5.828 -4.150 1.00 0.00 N ATOM 73 CA GLY A 87 -18.857 5.185 -3.149 1.00 0.00 C ATOM 74 C GLY A 87 -18.383 3.784 -2.817 1.00 0.00 C ATOM 75 O GLY A 87 -19.186 2.909 -2.495 1.00 0.00 O ATOM 0 H GLY A 87 -17.545 5.188 -4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.860 5.789 -2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -19.886 5.142 -3.507 1.00 0.00 H new ATOM 79 N ASP A 88 -17.073 3.572 -2.895 1.00 0.00 N ATOM 80 CA ASP A 88 -16.492 2.268 -2.603 1.00 0.00 C ATOM 81 C ASP A 88 -15.455 2.370 -1.488 1.00 0.00 C ATOM 82 O ASP A 88 -14.606 3.260 -1.495 1.00 0.00 O ATOM 83 CB ASP A 88 -15.848 1.683 -3.861 1.00 0.00 C ATOM 84 CG ASP A 88 -15.241 0.316 -3.616 1.00 0.00 C ATOM 85 OD1 ASP A 88 -14.056 0.254 -3.226 1.00 0.00 O ATOM 86 OD2 ASP A 88 -15.950 -0.693 -3.815 1.00 0.00 O ATOM 0 H ASP A 88 -16.395 4.287 -3.158 1.00 0.00 H new ATOM 0 HA ASP A 88 -17.292 1.607 -2.270 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -16.598 1.609 -4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.075 2.362 -4.220 1.00 0.00 H new ATOM 91 N ALA A 89 -15.533 1.450 -0.530 1.00 0.00 N ATOM 92 CA ALA A 89 -14.603 1.432 0.589 1.00 0.00 C ATOM 93 C ALA A 89 -13.209 1.009 0.133 1.00 0.00 C ATOM 94 O ALA A 89 -13.042 0.469 -0.960 1.00 0.00 O ATOM 95 CB ALA A 89 -15.110 0.499 1.678 1.00 0.00 C ATOM 0 H ALA A 89 -16.232 0.708 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.535 2.442 0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.406 0.494 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -16.083 0.844 2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -15.205 -0.510 1.277 1.00 0.00 H new ATOM 101 N PRO A 90 -12.188 1.251 0.973 1.00 0.00 N ATOM 102 CA PRO A 90 -10.805 0.904 0.670 1.00 0.00 C ATOM 103 C PRO A 90 -10.509 -0.550 1.004 1.00 0.00 C ATOM 104 O PRO A 90 -10.759 -0.996 2.122 1.00 0.00 O ATOM 105 CB PRO A 90 -9.992 1.836 1.582 1.00 0.00 C ATOM 106 CG PRO A 90 -10.991 2.613 2.389 1.00 0.00 C ATOM 107 CD PRO A 90 -12.290 1.866 2.293 1.00 0.00 C ATOM 0 HA PRO A 90 -10.572 1.020 -0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.329 1.264 2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.363 2.504 0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.669 2.699 3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.097 3.627 2.003 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.393 1.122 3.083 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.150 2.531 2.368 1.00 0.00 H new ATOM 115 N THR A 91 -9.961 -1.286 0.043 1.00 0.00 N ATOM 116 CA THR A 91 -9.662 -2.697 0.258 1.00 0.00 C ATOM 117 C THR A 91 -8.264 -3.073 -0.210 1.00 0.00 C ATOM 118 O THR A 91 -7.737 -2.511 -1.169 1.00 0.00 O ATOM 119 CB THR A 91 -10.678 -3.607 -0.456 1.00 0.00 C ATOM 120 OG1 THR A 91 -11.014 -3.061 -1.737 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.936 -3.773 0.382 1.00 0.00 C ATOM 0 H THR A 91 -9.717 -0.934 -0.883 1.00 0.00 H new ATOM 0 HA THR A 91 -9.725 -2.849 1.336 1.00 0.00 H new ATOM 0 HB THR A 91 -10.222 -4.587 -0.593 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.659 -3.648 -2.184 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.640 -4.420 -0.142 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.677 -4.220 1.342 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.394 -2.798 0.548 1.00 0.00 H new ATOM 129 N CYS A 92 -7.679 -4.034 0.491 1.00 0.00 N ATOM 130 CA CYS A 92 -6.350 -4.532 0.175 1.00 0.00 C ATOM 131 C CYS A 92 -6.376 -5.337 -1.123 1.00 0.00 C ATOM 132 O CYS A 92 -7.209 -6.228 -1.293 1.00 0.00 O ATOM 133 CB CYS A 92 -5.856 -5.400 1.329 1.00 0.00 C ATOM 134 SG CYS A 92 -4.161 -5.996 1.159 1.00 0.00 S ATOM 0 H CYS A 92 -8.113 -4.489 1.294 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.671 -3.690 0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.934 -4.828 2.254 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.520 -6.259 1.429 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.920 -6.887 2.075 1.00 0.00 H new ATOM 139 N GLY A 93 -5.460 -5.022 -2.032 1.00 0.00 N ATOM 140 CA GLY A 93 -5.400 -5.722 -3.306 1.00 0.00 C ATOM 141 C GLY A 93 -4.819 -7.122 -3.197 1.00 0.00 C ATOM 142 O GLY A 93 -4.713 -7.833 -4.196 1.00 0.00 O ATOM 0 H GLY A 93 -4.756 -4.294 -1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.404 -5.785 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.798 -5.140 -4.004 1.00 0.00 H new ATOM 146 N ILE A 94 -4.441 -7.520 -1.986 1.00 0.00 N ATOM 147 CA ILE A 94 -3.862 -8.834 -1.755 1.00 0.00 C ATOM 148 C ILE A 94 -4.834 -9.750 -1.012 1.00 0.00 C ATOM 149 O ILE A 94 -5.388 -10.681 -1.597 1.00 0.00 O ATOM 150 CB ILE A 94 -2.549 -8.714 -0.952 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.522 -7.903 -1.739 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.983 -10.087 -0.622 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.893 -6.447 -1.925 1.00 0.00 C ATOM 0 H ILE A 94 -4.527 -6.946 -1.147 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.651 -9.273 -2.730 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.771 -8.201 -0.016 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.561 -7.959 -1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.388 -8.360 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.058 -9.973 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.706 -10.645 -0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.779 -10.628 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.112 -5.942 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.837 -6.378 -2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.998 -5.971 -0.950 1.00 0.00 H new ATOM 165 N CYS A 95 -5.041 -9.484 0.275 1.00 0.00 N ATOM 166 CA CYS A 95 -5.943 -10.302 1.080 1.00 0.00 C ATOM 167 C CYS A 95 -7.392 -9.809 0.997 1.00 0.00 C ATOM 168 O CYS A 95 -8.310 -10.489 1.455 1.00 0.00 O ATOM 169 CB CYS A 95 -5.478 -10.351 2.539 1.00 0.00 C ATOM 170 SG CYS A 95 -5.035 -8.734 3.252 1.00 0.00 S ATOM 0 H CYS A 95 -4.600 -8.715 0.779 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.915 -11.311 0.669 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.269 -10.795 3.143 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.614 -11.012 2.609 1.00 0.00 H new ATOM 175 N HIS A 96 -7.592 -8.627 0.412 1.00 0.00 N ATOM 176 CA HIS A 96 -8.930 -8.064 0.264 1.00 0.00 C ATOM 177 C HIS A 96 -9.696 -8.090 1.582 1.00 0.00 C ATOM 178 O HIS A 96 -10.926 -8.094 1.593 1.00 0.00 O ATOM 179 CB HIS A 96 -9.712 -8.831 -0.805 1.00 0.00 C ATOM 180 CG HIS A 96 -9.172 -8.650 -2.190 1.00 0.00 C ATOM 181 ND1 HIS A 96 -8.222 -9.483 -2.744 1.00 0.00 N ATOM 182 CD2 HIS A 96 -9.459 -7.727 -3.139 1.00 0.00 C ATOM 183 CE1 HIS A 96 -7.947 -9.080 -3.971 1.00 0.00 C ATOM 184 NE2 HIS A 96 -8.685 -8.017 -4.235 1.00 0.00 N ATOM 0 H HIS A 96 -6.845 -8.044 0.035 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.819 -7.024 -0.044 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.704 -9.892 -0.557 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.752 -8.507 -0.785 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.165 -6.915 -3.050 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -7.239 -9.541 -4.644 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -8.681 -7.496 -5.112 1.00 0.00 H new ATOM 193 N LYS A 97 -8.965 -8.099 2.692 1.00 0.00 N ATOM 194 CA LYS A 97 -9.588 -8.122 4.010 1.00 0.00 C ATOM 195 C LYS A 97 -9.429 -6.773 4.704 1.00 0.00 C ATOM 196 O LYS A 97 -10.411 -6.092 4.993 1.00 0.00 O ATOM 197 CB LYS A 97 -8.976 -9.228 4.872 1.00 0.00 C ATOM 198 CG LYS A 97 -9.649 -9.384 6.227 1.00 0.00 C ATOM 199 CD LYS A 97 -11.103 -9.802 6.082 1.00 0.00 C ATOM 200 CE LYS A 97 -11.778 -9.954 7.436 1.00 0.00 C ATOM 201 NZ LYS A 97 -11.847 -8.660 8.170 1.00 0.00 N ATOM 0 H LYS A 97 -7.945 -8.091 2.705 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.651 -8.324 3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.038 -10.174 4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.918 -9.016 5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.113 -10.127 6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.593 -8.442 6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.638 -9.060 5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.159 -10.745 5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.785 -10.347 7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.231 -10.682 8.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.471 -8.762 8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.894 -8.390 8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.224 -7.923 7.540 1.00 0.00 H new ATOM 215 N THR A 98 -8.183 -6.398 4.971 1.00 0.00 N ATOM 216 CA THR A 98 -7.885 -5.134 5.626 1.00 0.00 C ATOM 217 C THR A 98 -8.327 -3.953 4.765 1.00 0.00 C ATOM 218 O THR A 98 -7.826 -3.759 3.657 1.00 0.00 O ATOM 219 CB THR A 98 -6.377 -5.013 5.931 1.00 0.00 C ATOM 220 OG1 THR A 98 -5.979 -6.042 6.843 1.00 0.00 O ATOM 221 CG2 THR A 98 -6.037 -3.651 6.520 1.00 0.00 C ATOM 0 H THR A 98 -7.361 -6.956 4.742 1.00 0.00 H new ATOM 0 HA THR A 98 -8.440 -5.114 6.564 1.00 0.00 H new ATOM 0 HB THR A 98 -5.836 -5.124 4.991 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.021 -5.960 7.031 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.967 -3.599 6.723 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.310 -2.870 5.811 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.590 -3.508 7.448 1.00 0.00 H new ATOM 229 N LYS A 99 -9.270 -3.169 5.278 1.00 0.00 N ATOM 230 CA LYS A 99 -9.764 -2.003 4.562 1.00 0.00 C ATOM 231 C LYS A 99 -9.016 -0.755 5.008 1.00 0.00 C ATOM 232 O LYS A 99 -8.993 -0.424 6.193 1.00 0.00 O ATOM 233 CB LYS A 99 -11.264 -1.826 4.799 1.00 0.00 C ATOM 234 CG LYS A 99 -12.116 -2.885 4.119 1.00 0.00 C ATOM 235 CD LYS A 99 -13.590 -2.702 4.440 1.00 0.00 C ATOM 236 CE LYS A 99 -14.460 -3.647 3.628 1.00 0.00 C ATOM 237 NZ LYS A 99 -14.130 -5.075 3.894 1.00 0.00 N ATOM 0 H LYS A 99 -9.706 -3.322 6.187 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.594 -2.155 3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.459 -1.848 5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.567 -0.842 4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.968 -2.835 3.040 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.793 -3.875 4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.756 -2.876 5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.882 -1.672 4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.509 -3.467 3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.331 -3.437 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.821 -5.686 3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.176 -5.283 3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.162 -5.254 4.918 1.00 0.00 H new ATOM 251 N PHE A 100 -8.408 -0.065 4.053 1.00 0.00 N ATOM 252 CA PHE A 100 -7.649 1.142 4.359 1.00 0.00 C ATOM 253 C PHE A 100 -8.518 2.153 5.097 1.00 0.00 C ATOM 254 O PHE A 100 -9.722 1.953 5.255 1.00 0.00 O ATOM 255 CB PHE A 100 -7.095 1.775 3.081 1.00 0.00 C ATOM 256 CG PHE A 100 -6.601 0.781 2.066 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.704 -0.213 2.425 1.00 0.00 C ATOM 258 CD2 PHE A 100 -7.025 0.852 0.748 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.240 -1.117 1.486 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.566 -0.050 -0.192 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.671 -1.034 0.176 1.00 0.00 C ATOM 0 H PHE A 100 -8.424 -0.317 3.065 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.815 0.857 5.001 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.873 2.387 2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.277 2.445 3.346 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.364 -0.282 3.448 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.723 1.622 0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.541 -1.887 1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.907 0.015 -1.215 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.308 -1.738 -0.559 1.00 0.00 H new ATOM 271 N ALA A 101 -7.901 3.242 5.548 1.00 0.00 N ATOM 272 CA ALA A 101 -8.621 4.282 6.272 1.00 0.00 C ATOM 273 C ALA A 101 -8.482 5.634 5.582 1.00 0.00 C ATOM 274 O ALA A 101 -7.630 5.813 4.713 1.00 0.00 O ATOM 275 CB ALA A 101 -8.117 4.376 7.703 1.00 0.00 C ATOM 0 H ALA A 101 -6.905 3.426 5.424 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.677 4.011 6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.664 5.157 8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.271 3.422 8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.054 4.617 7.699 1.00 0.00 H new ATOM 281 N ASP A 102 -9.326 6.580 5.980 1.00 0.00 N ATOM 282 CA ASP A 102 -9.304 7.921 5.408 1.00 0.00 C ATOM 283 C ASP A 102 -9.753 7.901 3.952 1.00 0.00 C ATOM 284 O ASP A 102 -10.777 8.486 3.599 1.00 0.00 O ATOM 285 CB ASP A 102 -7.900 8.521 5.509 1.00 0.00 C ATOM 286 CG ASP A 102 -7.364 8.507 6.927 1.00 0.00 C ATOM 287 OD1 ASP A 102 -7.641 9.467 7.676 1.00 0.00 O ATOM 288 OD2 ASP A 102 -6.670 7.535 7.288 1.00 0.00 O ATOM 0 H ASP A 102 -10.036 6.442 6.699 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.999 8.539 5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -7.223 7.963 4.862 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.919 9.547 5.141 1.00 0.00 H new ATOM 293 N GLY A 103 -8.981 7.222 3.111 1.00 0.00 N ATOM 294 CA GLY A 103 -9.314 7.141 1.702 1.00 0.00 C ATOM 295 C GLY A 103 -8.482 6.113 0.961 1.00 0.00 C ATOM 296 O GLY A 103 -9.005 5.358 0.142 1.00 0.00 O ATOM 0 H GLY A 103 -8.131 6.727 3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.370 6.892 1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.170 8.119 1.242 1.00 0.00 H new ATOM 300 N CYS A 104 -7.184 6.081 1.249 1.00 0.00 N ATOM 301 CA CYS A 104 -6.282 5.139 0.597 1.00 0.00 C ATOM 302 C CYS A 104 -5.216 4.646 1.572 1.00 0.00 C ATOM 303 O CYS A 104 -4.596 5.439 2.281 1.00 0.00 O ATOM 304 CB CYS A 104 -5.619 5.795 -0.616 1.00 0.00 C ATOM 305 SG CYS A 104 -4.641 7.263 -0.219 1.00 0.00 S ATOM 0 H CYS A 104 -6.735 6.695 1.928 1.00 0.00 H new ATOM 0 HA CYS A 104 -6.867 4.282 0.263 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.975 5.064 -1.104 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -6.391 6.070 -1.334 1.00 0.00 H new ATOM 0 HG CYS A 104 -4.186 7.166 0.995 1.00 0.00 H new ATOM 311 N GLY A 105 -5.011 3.333 1.601 1.00 0.00 N ATOM 312 CA GLY A 105 -4.022 2.756 2.495 1.00 0.00 C ATOM 313 C GLY A 105 -2.609 2.875 1.964 1.00 0.00 C ATOM 314 O GLY A 105 -2.191 3.942 1.518 1.00 0.00 O ATOM 0 H GLY A 105 -5.511 2.658 1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.083 3.250 3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.256 1.704 2.658 1.00 0.00 H new ATOM 318 N HIS A 106 -1.873 1.771 2.014 1.00 0.00 N ATOM 319 CA HIS A 106 -0.495 1.750 1.538 1.00 0.00 C ATOM 320 C HIS A 106 -0.436 1.244 0.104 1.00 0.00 C ATOM 321 O HIS A 106 -0.856 0.126 -0.190 1.00 0.00 O ATOM 322 CB HIS A 106 0.368 0.866 2.439 1.00 0.00 C ATOM 323 CG HIS A 106 0.235 1.185 3.896 1.00 0.00 C ATOM 324 ND1 HIS A 106 0.854 2.266 4.490 1.00 0.00 N ATOM 325 CD2 HIS A 106 -0.453 0.560 4.880 1.00 0.00 C ATOM 326 CE1 HIS A 106 0.552 2.290 5.776 1.00 0.00 C ATOM 327 NE2 HIS A 106 -0.240 1.266 6.039 1.00 0.00 N ATOM 0 H HIS A 106 -2.207 0.879 2.379 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.107 2.768 1.568 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.097 -0.177 2.278 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.412 0.973 2.146 1.00 0.00 H new ATOM 0 HD1 HIS A 106 1.451 2.941 4.011 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.057 -0.329 4.774 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.895 3.023 6.491 1.00 0.00 H new ATOM 336 N ASN A 107 0.091 2.076 -0.787 1.00 0.00 N ATOM 337 CA ASN A 107 0.198 1.718 -2.193 1.00 0.00 C ATOM 338 C ASN A 107 1.654 1.502 -2.592 1.00 0.00 C ATOM 339 O ASN A 107 2.522 2.317 -2.283 1.00 0.00 O ATOM 340 CB ASN A 107 -0.434 2.807 -3.063 1.00 0.00 C ATOM 341 CG ASN A 107 -1.778 3.286 -2.532 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.491 2.423 -1.807 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -2.174 4.427 -2.768 1.00 0.00 N flip ATOM 0 H ASN A 107 0.450 3.003 -0.559 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.339 0.782 -2.349 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.248 3.655 -3.127 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.565 2.425 -4.076 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.602 5.060 -3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.075 4.740 -2.405 1.00 0.00 H new ATOM 350 N CYS A 108 1.909 0.396 -3.283 1.00 0.00 N ATOM 351 CA CYS A 108 3.258 0.061 -3.720 1.00 0.00 C ATOM 352 C CYS A 108 3.867 1.188 -4.546 1.00 0.00 C ATOM 353 O CYS A 108 3.320 1.585 -5.572 1.00 0.00 O ATOM 354 CB CYS A 108 3.248 -1.227 -4.542 1.00 0.00 C ATOM 355 SG CYS A 108 4.893 -1.909 -4.859 1.00 0.00 S ATOM 0 H CYS A 108 1.198 -0.284 -3.552 1.00 0.00 H new ATOM 0 HA CYS A 108 3.867 -0.084 -2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.650 -1.974 -4.020 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.756 -1.034 -5.495 1.00 0.00 H new ATOM 0 HG CYS A 108 4.939 -3.141 -4.447 1.00 0.00 H new ATOM 360 N SER A 109 5.008 1.690 -4.094 1.00 0.00 N ATOM 361 CA SER A 109 5.702 2.763 -4.792 1.00 0.00 C ATOM 362 C SER A 109 6.035 2.354 -6.224 1.00 0.00 C ATOM 363 O SER A 109 6.302 3.202 -7.073 1.00 0.00 O ATOM 364 CB SER A 109 6.986 3.126 -4.049 1.00 0.00 C ATOM 365 OG SER A 109 7.645 4.218 -4.668 1.00 0.00 O ATOM 0 H SER A 109 5.474 1.370 -3.245 1.00 0.00 H new ATOM 0 HA SER A 109 5.043 3.631 -4.823 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.752 3.378 -3.015 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.651 2.263 -4.024 1.00 0.00 H new ATOM 0 HG SER A 109 8.178 4.699 -4.001 1.00 0.00 H new ATOM 371 N TYR A 110 6.021 1.047 -6.485 1.00 0.00 N ATOM 372 CA TYR A 110 6.331 0.533 -7.809 1.00 0.00 C ATOM 373 C TYR A 110 5.066 0.083 -8.543 1.00 0.00 C ATOM 374 O TYR A 110 4.592 0.761 -9.455 1.00 0.00 O ATOM 375 CB TYR A 110 7.318 -0.631 -7.691 1.00 0.00 C ATOM 376 CG TYR A 110 8.625 -0.248 -7.031 1.00 0.00 C ATOM 377 CD1 TYR A 110 9.685 0.240 -7.785 1.00 0.00 C ATOM 378 CD2 TYR A 110 8.801 -0.371 -5.654 1.00 0.00 C ATOM 379 CE1 TYR A 110 10.881 0.596 -7.190 1.00 0.00 C ATOM 380 CE2 TYR A 110 9.996 -0.017 -5.055 1.00 0.00 C ATOM 381 CZ TYR A 110 11.031 0.466 -5.826 1.00 0.00 C ATOM 382 OH TYR A 110 12.222 0.821 -5.232 1.00 0.00 O ATOM 0 H TYR A 110 5.798 0.330 -5.795 1.00 0.00 H new ATOM 0 HA TYR A 110 6.784 1.336 -8.391 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.853 -1.435 -7.120 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.524 -1.025 -8.686 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.573 0.343 -8.854 1.00 0.00 H new ATOM 0 HD2 TYR A 110 7.992 -0.748 -5.046 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.694 0.974 -7.791 1.00 0.00 H new ATOM 0 HE2 TYR A 110 10.118 -0.119 -3.987 1.00 0.00 H new ATOM 0 HH TYR A 110 12.163 0.670 -4.266 1.00 0.00 H new ATOM 392 N CYS A 111 4.529 -1.063 -8.140 1.00 0.00 N ATOM 393 CA CYS A 111 3.323 -1.613 -8.759 1.00 0.00 C ATOM 394 C CYS A 111 2.139 -0.660 -8.631 1.00 0.00 C ATOM 395 O CYS A 111 1.210 -0.708 -9.434 1.00 0.00 O ATOM 396 CB CYS A 111 2.950 -2.950 -8.113 1.00 0.00 C ATOM 397 SG CYS A 111 4.356 -4.062 -7.800 1.00 0.00 S ATOM 0 H CYS A 111 4.910 -1.633 -7.385 1.00 0.00 H new ATOM 0 HA CYS A 111 3.545 -1.758 -9.816 1.00 0.00 H new ATOM 0 HB2 CYS A 111 2.443 -2.753 -7.168 1.00 0.00 H new ATOM 0 HB3 CYS A 111 2.235 -3.462 -8.757 1.00 0.00 H new ATOM 402 N GLN A 112 2.178 0.196 -7.611 1.00 0.00 N ATOM 403 CA GLN A 112 1.096 1.147 -7.359 1.00 0.00 C ATOM 404 C GLN A 112 -0.140 0.441 -6.792 1.00 0.00 C ATOM 405 O GLN A 112 -1.176 1.071 -6.584 1.00 0.00 O ATOM 406 CB GLN A 112 0.723 1.904 -8.638 1.00 0.00 C ATOM 407 CG GLN A 112 1.908 2.559 -9.328 1.00 0.00 C ATOM 408 CD GLN A 112 2.504 3.689 -8.513 1.00 0.00 C ATOM 409 OE1 GLN A 112 1.804 4.357 -7.751 1.00 0.00 O ATOM 410 NE2 GLN A 112 3.803 3.913 -8.670 1.00 0.00 N ATOM 0 H GLN A 112 2.948 0.251 -6.945 1.00 0.00 H new ATOM 0 HA GLN A 112 1.456 1.863 -6.620 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.246 1.213 -9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.013 2.670 -8.395 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.675 1.808 -9.516 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.592 2.943 -10.298 1.00 0.00 H new ATOM 0 HE21 GLN A 112 4.346 3.336 -9.312 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.258 4.662 -8.149 1.00 0.00 H new ATOM 419 N THR A 113 -0.028 -0.867 -6.539 1.00 0.00 N ATOM 420 CA THR A 113 -1.139 -1.640 -6.003 1.00 0.00 C ATOM 421 C THR A 113 -1.464 -1.218 -4.575 1.00 0.00 C ATOM 422 O THR A 113 -0.574 -0.864 -3.804 1.00 0.00 O ATOM 423 CB THR A 113 -0.836 -3.151 -6.021 1.00 0.00 C ATOM 424 OG1 THR A 113 -0.499 -3.566 -7.349 1.00 0.00 O ATOM 425 CG2 THR A 113 -2.032 -3.951 -5.523 1.00 0.00 C ATOM 0 H THR A 113 0.823 -1.407 -6.699 1.00 0.00 H new ATOM 0 HA THR A 113 -1.998 -1.441 -6.644 1.00 0.00 H new ATOM 0 HB THR A 113 0.007 -3.337 -5.356 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.306 -4.527 -7.352 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.793 -5.014 -5.545 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.269 -3.654 -4.501 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.891 -3.759 -6.165 1.00 0.00 H new ATOM 433 N LYS A 114 -2.746 -1.260 -4.229 1.00 0.00 N ATOM 434 CA LYS A 114 -3.183 -0.886 -2.890 1.00 0.00 C ATOM 435 C LYS A 114 -3.095 -2.073 -1.941 1.00 0.00 C ATOM 436 O LYS A 114 -3.805 -3.064 -2.105 1.00 0.00 O ATOM 437 CB LYS A 114 -4.616 -0.357 -2.926 1.00 0.00 C ATOM 438 CG LYS A 114 -4.830 0.751 -3.943 1.00 0.00 C ATOM 439 CD LYS A 114 -6.269 1.239 -3.941 1.00 0.00 C ATOM 440 CE LYS A 114 -7.234 0.129 -4.326 1.00 0.00 C ATOM 441 NZ LYS A 114 -8.648 0.597 -4.332 1.00 0.00 N ATOM 0 H LYS A 114 -3.498 -1.548 -4.855 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.522 -0.099 -2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.293 -1.181 -3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.883 0.013 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.162 1.583 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.569 0.389 -4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.525 1.618 -2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.373 2.071 -4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.974 -0.251 -5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.130 -0.701 -3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.273 -0.190 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.905 0.936 -3.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.754 1.372 -5.017 1.00 0.00 H new ATOM 455 N PHE A 115 -2.216 -1.969 -0.951 1.00 0.00 N ATOM 456 CA PHE A 115 -2.040 -3.041 0.021 1.00 0.00 C ATOM 457 C PHE A 115 -2.123 -2.513 1.447 1.00 0.00 C ATOM 458 O PHE A 115 -2.006 -1.312 1.690 1.00 0.00 O ATOM 459 CB PHE A 115 -0.708 -3.759 -0.199 1.00 0.00 C ATOM 460 CG PHE A 115 0.497 -2.864 -0.149 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.850 -2.206 1.019 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.286 -2.691 -1.275 1.00 0.00 C ATOM 463 CE1 PHE A 115 1.965 -1.391 1.061 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.401 -1.878 -1.238 1.00 0.00 C ATOM 465 CZ PHE A 115 2.742 -1.228 -0.069 1.00 0.00 C ATOM 0 H PHE A 115 -1.617 -1.157 -0.801 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.851 -3.755 -0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.599 -4.536 0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.734 -4.258 -1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.247 -2.332 1.906 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.026 -3.198 -2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.229 -0.882 1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.006 -1.751 -2.123 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.615 -0.593 -0.038 1.00 0.00 H new ATOM 475 N CYS A 116 -2.327 -3.429 2.385 1.00 0.00 N ATOM 476 CA CYS A 116 -2.432 -3.083 3.795 1.00 0.00 C ATOM 477 C CYS A 116 -1.056 -3.075 4.448 1.00 0.00 C ATOM 478 O CYS A 116 -0.069 -3.489 3.839 1.00 0.00 O ATOM 479 CB CYS A 116 -3.349 -4.077 4.512 1.00 0.00 C ATOM 480 SG CYS A 116 -2.749 -5.798 4.489 1.00 0.00 S ATOM 0 H CYS A 116 -2.424 -4.426 2.191 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.859 -2.083 3.876 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.470 -3.760 5.548 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.336 -4.042 4.050 1.00 0.00 H new ATOM 485 N ALA A 117 -0.994 -2.609 5.689 1.00 0.00 N ATOM 486 CA ALA A 117 0.266 -2.556 6.420 1.00 0.00 C ATOM 487 C ALA A 117 0.887 -3.945 6.569 1.00 0.00 C ATOM 488 O ALA A 117 2.070 -4.073 6.880 1.00 0.00 O ATOM 489 CB ALA A 117 0.054 -1.922 7.786 1.00 0.00 C ATOM 0 H ALA A 117 -1.800 -2.263 6.210 1.00 0.00 H new ATOM 0 HA ALA A 117 0.960 -1.942 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.002 -1.888 8.322 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.329 -0.909 7.662 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.663 -2.514 8.354 1.00 0.00 H new ATOM 495 N ARG A 118 0.085 -4.986 6.345 1.00 0.00 N ATOM 496 CA ARG A 118 0.562 -6.359 6.463 1.00 0.00 C ATOM 497 C ARG A 118 1.055 -6.893 5.120 1.00 0.00 C ATOM 498 O ARG A 118 1.825 -7.852 5.072 1.00 0.00 O ATOM 499 CB ARG A 118 -0.551 -7.259 7.001 1.00 0.00 C ATOM 500 CG ARG A 118 -1.133 -6.796 8.329 1.00 0.00 C ATOM 501 CD ARG A 118 -0.210 -7.123 9.494 1.00 0.00 C ATOM 502 NE ARG A 118 1.064 -6.412 9.408 1.00 0.00 N ATOM 503 CZ ARG A 118 1.262 -5.181 9.873 1.00 0.00 C ATOM 504 NH1 ARG A 118 0.266 -4.509 10.437 1.00 0.00 N ATOM 505 NH2 ARG A 118 2.458 -4.617 9.769 1.00 0.00 N ATOM 0 H ARG A 118 -0.897 -4.902 6.081 1.00 0.00 H new ATOM 0 HA ARG A 118 1.400 -6.363 7.160 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.352 -7.310 6.263 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.162 -8.270 7.119 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -1.308 -5.721 8.294 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -2.101 -7.271 8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -0.705 -6.865 10.430 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -0.024 -8.197 9.517 1.00 0.00 H new ATOM 0 HE ARG A 118 1.849 -6.888 8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -0.657 -4.936 10.516 1.00 0.00 H new ATOM 0 HH12 ARG A 118 0.424 -3.566 10.792 1.00 0.00 H new ATOM 0 HH21 ARG A 118 3.226 -5.127 9.333 1.00 0.00 H new ATOM 0 HH22 ARG A 118 2.610 -3.673 10.125 1.00 0.00 H new ATOM 519 N CYS A 119 0.609 -6.273 4.031 1.00 0.00 N ATOM 520 CA CYS A 119 1.020 -6.692 2.697 1.00 0.00 C ATOM 521 C CYS A 119 2.028 -5.713 2.104 1.00 0.00 C ATOM 522 O CYS A 119 2.160 -5.602 0.885 1.00 0.00 O ATOM 523 CB CYS A 119 -0.196 -6.807 1.780 1.00 0.00 C ATOM 524 SG CYS A 119 -1.275 -8.231 2.140 1.00 0.00 S ATOM 0 H CYS A 119 -0.035 -5.482 4.047 1.00 0.00 H new ATOM 0 HA CYS A 119 1.497 -7.668 2.781 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.783 -5.892 1.858 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.147 -6.878 0.748 1.00 0.00 H new ATOM 529 N GLY A 120 2.739 -5.009 2.978 1.00 0.00 N ATOM 530 CA GLY A 120 3.729 -4.049 2.529 1.00 0.00 C ATOM 531 C GLY A 120 4.576 -3.514 3.667 1.00 0.00 C ATOM 532 O GLY A 120 4.353 -3.856 4.828 1.00 0.00 O ATOM 0 H GLY A 120 2.647 -5.087 3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.376 -4.519 1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.227 -3.219 2.033 1.00 0.00 H new ATOM 536 N GLY A 121 5.551 -2.676 3.334 1.00 0.00 N ATOM 537 CA GLY A 121 6.418 -2.106 4.348 1.00 0.00 C ATOM 538 C GLY A 121 6.631 -0.618 4.159 1.00 0.00 C ATOM 539 O GLY A 121 6.466 -0.095 3.057 1.00 0.00 O ATOM 0 H GLY A 121 5.757 -2.381 2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.987 -2.286 5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.382 -2.614 4.324 1.00 0.00 H new ATOM 543 N ARG A 122 7.002 0.066 5.237 1.00 0.00 N ATOM 544 CA ARG A 122 7.241 1.502 5.182 1.00 0.00 C ATOM 545 C ARG A 122 8.680 1.794 4.777 1.00 0.00 C ATOM 546 O ARG A 122 9.614 1.161 5.270 1.00 0.00 O ATOM 547 CB ARG A 122 6.945 2.145 6.539 1.00 0.00 C ATOM 548 CG ARG A 122 7.913 1.725 7.632 1.00 0.00 C ATOM 549 CD ARG A 122 7.683 2.509 8.915 1.00 0.00 C ATOM 550 NE ARG A 122 7.830 3.948 8.708 1.00 0.00 N ATOM 551 CZ ARG A 122 6.837 4.751 8.328 1.00 0.00 C ATOM 552 NH1 ARG A 122 5.627 4.260 8.090 1.00 0.00 N ATOM 553 NH2 ARG A 122 7.057 6.050 8.178 1.00 0.00 N ATOM 0 H ARG A 122 7.143 -0.351 6.157 1.00 0.00 H new ATOM 0 HA ARG A 122 6.573 1.927 4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 122 6.977 3.229 6.433 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.931 1.884 6.842 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.798 0.659 7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 122 8.937 1.877 7.290 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.684 2.297 9.296 1.00 0.00 H new ATOM 0 HD3 ARG A 122 8.391 2.177 9.675 1.00 0.00 H new ATOM 0 HE ARG A 122 8.749 4.363 8.864 1.00 0.00 H new ATOM 0 HH11 ARG A 122 5.452 3.261 8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.872 4.882 7.799 1.00 0.00 H new ATOM 0 HH21 ARG A 122 7.986 6.434 8.353 1.00 0.00 H new ATOM 0 HH22 ARG A 122 6.298 6.666 7.887 1.00 0.00 H new ATOM 567 N VAL A 123 8.853 2.755 3.877 1.00 0.00 N ATOM 568 CA VAL A 123 10.180 3.128 3.407 1.00 0.00 C ATOM 569 C VAL A 123 10.349 4.642 3.376 1.00 0.00 C ATOM 570 O VAL A 123 10.157 5.278 2.339 1.00 0.00 O ATOM 571 CB VAL A 123 10.457 2.560 2.003 1.00 0.00 C ATOM 572 CG1 VAL A 123 11.855 2.939 1.540 1.00 0.00 C ATOM 573 CG2 VAL A 123 10.274 1.051 1.995 1.00 0.00 C ATOM 0 H VAL A 123 8.091 3.289 3.459 1.00 0.00 H new ATOM 0 HA VAL A 123 10.896 2.703 4.110 1.00 0.00 H new ATOM 0 HB VAL A 123 9.740 2.994 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.033 2.529 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.945 4.025 1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.591 2.535 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.474 0.666 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 123 10.966 0.597 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.251 0.807 2.280 1.00 0.00 H new ATOM 583 N SER A 124 10.708 5.216 4.519 1.00 0.00 N ATOM 584 CA SER A 124 10.910 6.656 4.621 1.00 0.00 C ATOM 585 C SER A 124 12.376 7.010 4.389 1.00 0.00 C ATOM 586 O SER A 124 13.251 6.598 5.149 1.00 0.00 O ATOM 587 CB SER A 124 10.459 7.162 5.992 1.00 0.00 C ATOM 588 OG SER A 124 11.180 6.527 7.034 1.00 0.00 O ATOM 0 H SER A 124 10.865 4.706 5.388 1.00 0.00 H new ATOM 0 HA SER A 124 10.309 7.141 3.852 1.00 0.00 H new ATOM 0 HB2 SER A 124 10.604 8.241 6.050 1.00 0.00 H new ATOM 0 HB3 SER A 124 9.392 6.977 6.118 1.00 0.00 H new ATOM 0 HG SER A 124 12.046 6.220 6.693 1.00 0.00 H new ATOM 594 N LEU A 125 12.633 7.775 3.335 1.00 0.00 N ATOM 595 CA LEU A 125 13.993 8.176 2.997 1.00 0.00 C ATOM 596 C LEU A 125 14.336 9.529 3.614 1.00 0.00 C ATOM 597 O LEU A 125 13.455 10.265 4.056 1.00 0.00 O ATOM 598 CB LEU A 125 14.161 8.241 1.477 1.00 0.00 C ATOM 599 CG LEU A 125 14.025 6.903 0.748 1.00 0.00 C ATOM 600 CD1 LEU A 125 15.034 5.899 1.281 1.00 0.00 C ATOM 601 CD2 LEU A 125 12.609 6.360 0.881 1.00 0.00 C ATOM 0 H LEU A 125 11.918 8.130 2.700 1.00 0.00 H new ATOM 0 HA LEU A 125 14.676 7.430 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.420 8.932 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 125 15.142 8.660 1.254 1.00 0.00 H new ATOM 0 HG LEU A 125 14.230 7.068 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 125 14.922 4.954 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 125 16.043 6.282 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 125 14.862 5.740 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 125 12.534 5.408 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 125 12.373 6.212 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 125 11.905 7.070 0.448 1.00 0.00 H new ATOM 613 N ARG A 126 15.628 9.845 3.635 1.00 0.00 N ATOM 614 CA ARG A 126 16.105 11.105 4.195 1.00 0.00 C ATOM 615 C ARG A 126 15.875 12.275 3.235 1.00 0.00 C ATOM 616 O ARG A 126 16.238 13.411 3.539 1.00 0.00 O ATOM 617 CB ARG A 126 17.595 11.001 4.532 1.00 0.00 C ATOM 618 CG ARG A 126 17.917 9.957 5.590 1.00 0.00 C ATOM 619 CD ARG A 126 17.720 10.502 6.996 1.00 0.00 C ATOM 620 NE ARG A 126 16.315 10.765 7.295 1.00 0.00 N ATOM 621 CZ ARG A 126 15.909 11.596 8.251 1.00 0.00 C ATOM 622 NH1 ARG A 126 16.797 12.233 9.002 1.00 0.00 N ATOM 623 NH2 ARG A 126 14.614 11.787 8.459 1.00 0.00 N ATOM 0 H ARG A 126 16.365 9.243 3.269 1.00 0.00 H new ATOM 0 HA ARG A 126 15.535 11.297 5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 126 18.147 10.764 3.623 1.00 0.00 H new ATOM 0 HB3 ARG A 126 17.948 11.973 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 126 17.280 9.084 5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 126 18.948 9.623 5.470 1.00 0.00 H new ATOM 0 HD2 ARG A 126 18.116 9.789 7.719 1.00 0.00 H new ATOM 0 HD3 ARG A 126 18.292 11.423 7.110 1.00 0.00 H new ATOM 0 HE ARG A 126 15.606 10.285 6.740 1.00 0.00 H new ATOM 0 HH11 ARG A 126 17.794 12.086 8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 126 16.483 12.870 9.734 1.00 0.00 H new ATOM 0 HH21 ARG A 126 13.928 11.296 7.886 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.304 12.424 9.192 1.00 0.00 H new ATOM 637 N SER A 127 15.279 11.999 2.075 1.00 0.00 N ATOM 638 CA SER A 127 15.015 13.042 1.090 1.00 0.00 C ATOM 639 C SER A 127 13.584 13.563 1.209 1.00 0.00 C ATOM 640 O SER A 127 13.026 14.093 0.250 1.00 0.00 O ATOM 641 CB SER A 127 15.260 12.511 -0.323 1.00 0.00 C ATOM 642 OG SER A 127 14.410 11.414 -0.611 1.00 0.00 O ATOM 0 H SER A 127 14.972 11.067 1.797 1.00 0.00 H new ATOM 0 HA SER A 127 15.698 13.869 1.286 1.00 0.00 H new ATOM 0 HB2 SER A 127 15.090 13.307 -1.048 1.00 0.00 H new ATOM 0 HB3 SER A 127 16.301 12.205 -0.424 1.00 0.00 H new ATOM 0 HG SER A 127 14.585 11.094 -1.521 1.00 0.00 H new ATOM 648 N ASN A 128 12.999 13.406 2.394 1.00 0.00 N ATOM 649 CA ASN A 128 11.636 13.863 2.640 1.00 0.00 C ATOM 650 C ASN A 128 10.668 13.262 1.626 1.00 0.00 C ATOM 651 O ASN A 128 9.986 13.985 0.900 1.00 0.00 O ATOM 652 CB ASN A 128 11.572 15.390 2.586 1.00 0.00 C ATOM 653 CG ASN A 128 10.214 15.929 2.994 1.00 0.00 C ATOM 654 OD1 ASN A 128 9.189 15.276 2.797 1.00 0.00 O ATOM 655 ND2 ASN A 128 10.202 17.127 3.567 1.00 0.00 N ATOM 0 H ASN A 128 13.448 12.966 3.197 1.00 0.00 H new ATOM 0 HA ASN A 128 11.341 13.530 3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 128 12.337 15.806 3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 128 11.803 15.725 1.575 1.00 0.00 H new ATOM 0 HD21 ASN A 128 9.319 17.542 3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 128 11.076 17.632 3.710 1.00 0.00 H new ATOM 662 N LYS A 129 10.610 11.935 1.582 1.00 0.00 N ATOM 663 CA LYS A 129 9.729 11.237 0.664 1.00 0.00 C ATOM 664 C LYS A 129 9.288 9.897 1.245 1.00 0.00 C ATOM 665 O LYS A 129 10.069 8.947 1.303 1.00 0.00 O ATOM 666 CB LYS A 129 10.441 11.014 -0.665 1.00 0.00 C ATOM 667 CG LYS A 129 10.687 12.294 -1.448 1.00 0.00 C ATOM 668 CD LYS A 129 11.468 12.034 -2.728 1.00 0.00 C ATOM 669 CE LYS A 129 10.749 11.046 -3.636 1.00 0.00 C ATOM 670 NZ LYS A 129 11.180 9.643 -3.388 1.00 0.00 N ATOM 0 H LYS A 129 11.168 11.322 2.177 1.00 0.00 H new ATOM 0 HA LYS A 129 8.843 11.851 0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.396 10.524 -0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 129 9.848 10.333 -1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 129 9.732 12.759 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.235 13.001 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 129 11.618 12.974 -3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 129 12.456 11.647 -2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 129 9.673 11.127 -3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 129 10.941 11.305 -4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 11.429 9.191 -4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 12.009 9.640 -2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 10.404 9.116 -2.939 1.00 0.00 H new ATOM 684 N VAL A 130 8.032 9.829 1.676 1.00 0.00 N ATOM 685 CA VAL A 130 7.484 8.608 2.253 1.00 0.00 C ATOM 686 C VAL A 130 6.759 7.777 1.200 1.00 0.00 C ATOM 687 O VAL A 130 5.797 8.237 0.586 1.00 0.00 O ATOM 688 CB VAL A 130 6.503 8.921 3.398 1.00 0.00 C ATOM 689 CG1 VAL A 130 6.038 7.639 4.070 1.00 0.00 C ATOM 690 CG2 VAL A 130 7.144 9.858 4.406 1.00 0.00 C ATOM 0 H VAL A 130 7.374 10.607 1.636 1.00 0.00 H new ATOM 0 HA VAL A 130 8.327 8.040 2.646 1.00 0.00 H new ATOM 0 HB VAL A 130 5.629 9.419 2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 130 5.346 7.881 4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 130 5.536 7.006 3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 130 6.899 7.109 4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 130 6.437 10.068 5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 130 8.036 9.390 4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.420 10.790 3.912 1.00 0.00 H new ATOM 700 N MET A 131 7.227 6.550 0.998 1.00 0.00 N ATOM 701 CA MET A 131 6.620 5.653 0.023 1.00 0.00 C ATOM 702 C MET A 131 6.613 4.218 0.528 1.00 0.00 C ATOM 703 O MET A 131 7.575 3.753 1.138 1.00 0.00 O ATOM 704 CB MET A 131 7.358 5.734 -1.311 1.00 0.00 C ATOM 705 CG MET A 131 8.856 5.513 -1.196 1.00 0.00 C ATOM 706 SD MET A 131 9.694 5.615 -2.789 1.00 0.00 S ATOM 707 CE MET A 131 11.374 5.213 -2.316 1.00 0.00 C ATOM 0 H MET A 131 8.024 6.155 1.496 1.00 0.00 H new ATOM 0 HA MET A 131 5.587 5.970 -0.124 1.00 0.00 H new ATOM 0 HB2 MET A 131 6.942 4.992 -1.992 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.177 6.712 -1.757 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.278 6.255 -0.519 1.00 0.00 H new ATOM 0 HG3 MET A 131 9.043 4.535 -0.753 1.00 0.00 H new ATOM 0 HE1 MET A 131 11.941 4.922 -3.200 1.00 0.00 H new ATOM 0 HE2 MET A 131 11.841 6.084 -1.856 1.00 0.00 H new ATOM 0 HE3 MET A 131 11.364 4.388 -1.604 1.00 0.00 H new ATOM 717 N TRP A 132 5.515 3.522 0.267 1.00 0.00 N ATOM 718 CA TRP A 132 5.362 2.138 0.697 1.00 0.00 C ATOM 719 C TRP A 132 5.606 1.164 -0.452 1.00 0.00 C ATOM 720 O TRP A 132 5.231 1.426 -1.593 1.00 0.00 O ATOM 721 CB TRP A 132 3.969 1.917 1.284 1.00 0.00 C ATOM 722 CG TRP A 132 3.860 2.333 2.717 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.842 3.608 3.203 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.755 1.467 3.852 1.00 0.00 C ATOM 725 NE1 TRP A 132 3.734 3.588 4.573 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.678 2.284 4.995 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.719 0.079 4.011 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.566 1.759 6.280 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.608 -0.441 5.287 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.532 0.397 6.407 1.00 0.00 C ATOM 0 H TRP A 132 4.714 3.895 -0.243 1.00 0.00 H new ATOM 0 HA TRP A 132 6.111 1.945 1.465 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.241 2.474 0.694 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.709 0.862 1.198 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.904 4.502 2.600 1.00 0.00 H new ATOM 0 HE1 TRP A 132 3.701 4.409 5.177 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.777 -0.575 3.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 3.508 2.403 7.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.579 -1.512 5.423 1.00 0.00 H new ATOM 0 HH2 TRP A 132 3.445 -0.041 7.390 1.00 0.00 H new ATOM 741 N VAL A 133 6.235 0.039 -0.131 1.00 0.00 N ATOM 742 CA VAL A 133 6.534 -0.991 -1.119 1.00 0.00 C ATOM 743 C VAL A 133 6.034 -2.352 -0.636 1.00 0.00 C ATOM 744 O VAL A 133 6.338 -2.772 0.480 1.00 0.00 O ATOM 745 CB VAL A 133 8.049 -1.063 -1.397 1.00 0.00 C ATOM 746 CG1 VAL A 133 8.354 -2.119 -2.444 1.00 0.00 C ATOM 747 CG2 VAL A 133 8.575 0.295 -1.841 1.00 0.00 C ATOM 0 H VAL A 133 6.550 -0.184 0.813 1.00 0.00 H new ATOM 0 HA VAL A 133 6.022 -0.728 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 133 8.553 -1.344 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 133 9.428 -2.153 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 133 8.015 -3.092 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.838 -1.871 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 133 9.646 0.225 -2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 133 8.062 0.604 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.394 1.030 -1.056 1.00 0.00 H new ATOM 757 N CYS A 134 5.265 -3.037 -1.482 1.00 0.00 N ATOM 758 CA CYS A 134 4.709 -4.341 -1.124 1.00 0.00 C ATOM 759 C CYS A 134 5.802 -5.340 -0.761 1.00 0.00 C ATOM 760 O CYS A 134 6.935 -5.242 -1.230 1.00 0.00 O ATOM 761 CB CYS A 134 3.852 -4.899 -2.263 1.00 0.00 C ATOM 762 SG CYS A 134 4.780 -5.311 -3.779 1.00 0.00 S ATOM 0 H CYS A 134 5.014 -2.712 -2.416 1.00 0.00 H new ATOM 0 HA CYS A 134 4.081 -4.191 -0.246 1.00 0.00 H new ATOM 0 HB2 CYS A 134 3.341 -5.795 -1.911 1.00 0.00 H new ATOM 0 HB3 CYS A 134 3.081 -4.169 -2.511 1.00 0.00 H new ATOM 767 N ASN A 135 5.440 -6.303 0.082 1.00 0.00 N ATOM 768 CA ASN A 135 6.368 -7.336 0.534 1.00 0.00 C ATOM 769 C ASN A 135 6.999 -8.082 -0.639 1.00 0.00 C ATOM 770 O ASN A 135 8.040 -8.721 -0.488 1.00 0.00 O ATOM 771 CB ASN A 135 5.653 -8.323 1.455 1.00 0.00 C ATOM 772 CG ASN A 135 5.165 -7.671 2.734 1.00 0.00 C ATOM 773 OD1 ASN A 135 5.755 -6.703 3.214 1.00 0.00 O ATOM 774 ND2 ASN A 135 4.083 -8.199 3.295 1.00 0.00 N ATOM 0 H ASN A 135 4.500 -6.390 0.469 1.00 0.00 H new ATOM 0 HA ASN A 135 7.168 -6.841 1.084 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.805 -8.760 0.927 1.00 0.00 H new ATOM 0 HB3 ASN A 135 6.330 -9.141 1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 135 3.710 -7.802 4.157 1.00 0.00 H new ATOM 0 HD22 ASN A 135 3.625 -9.002 2.863 1.00 0.00 H new ATOM 781 N LEU A 136 6.374 -7.993 -1.808 1.00 0.00 N ATOM 782 CA LEU A 136 6.889 -8.665 -2.994 1.00 0.00 C ATOM 783 C LEU A 136 8.006 -7.838 -3.616 1.00 0.00 C ATOM 784 O LEU A 136 8.940 -8.377 -4.209 1.00 0.00 O ATOM 785 CB LEU A 136 5.765 -8.885 -4.007 1.00 0.00 C ATOM 786 CG LEU A 136 4.407 -9.236 -3.395 1.00 0.00 C ATOM 787 CD1 LEU A 136 3.427 -9.675 -4.470 1.00 0.00 C ATOM 788 CD2 LEU A 136 4.564 -10.314 -2.338 1.00 0.00 C ATOM 0 H LEU A 136 5.515 -7.465 -1.959 1.00 0.00 H new ATOM 0 HA LEU A 136 7.290 -9.636 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.654 -7.982 -4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.059 -9.685 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 136 4.005 -8.342 -2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.469 -9.919 -4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.290 -8.867 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.819 -10.554 -4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.589 -10.552 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.990 -11.209 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 136 5.226 -9.957 -1.549 1.00 0.00 H new ATOM 800 N CYS A 137 7.899 -6.523 -3.474 1.00 0.00 N ATOM 801 CA CYS A 137 8.907 -5.611 -3.992 1.00 0.00 C ATOM 802 C CYS A 137 9.980 -5.369 -2.940 1.00 0.00 C ATOM 803 O CYS A 137 11.145 -5.136 -3.261 1.00 0.00 O ATOM 804 CB CYS A 137 8.269 -4.283 -4.400 1.00 0.00 C ATOM 805 SG CYS A 137 7.499 -4.298 -6.047 1.00 0.00 S ATOM 0 H CYS A 137 7.120 -6.064 -3.002 1.00 0.00 H new ATOM 0 HA CYS A 137 9.364 -6.063 -4.872 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.514 -4.014 -3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.031 -3.504 -4.375 1.00 0.00 H new ATOM 810 N ARG A 138 9.573 -5.423 -1.677 1.00 0.00 N ATOM 811 CA ARG A 138 10.489 -5.214 -0.566 1.00 0.00 C ATOM 812 C ARG A 138 11.552 -6.310 -0.524 1.00 0.00 C ATOM 813 O ARG A 138 12.700 -6.062 -0.159 1.00 0.00 O ATOM 814 CB ARG A 138 9.719 -5.187 0.755 1.00 0.00 C ATOM 815 CG ARG A 138 10.584 -4.844 1.959 1.00 0.00 C ATOM 816 CD ARG A 138 9.822 -5.032 3.260 1.00 0.00 C ATOM 817 NE ARG A 138 9.453 -6.427 3.481 1.00 0.00 N ATOM 818 CZ ARG A 138 10.271 -7.331 4.013 1.00 0.00 C ATOM 819 NH1 ARG A 138 11.504 -6.990 4.364 1.00 0.00 N ATOM 820 NH2 ARG A 138 9.858 -8.579 4.191 1.00 0.00 N ATOM 0 H ARG A 138 8.610 -5.611 -1.398 1.00 0.00 H new ATOM 0 HA ARG A 138 10.986 -4.255 -0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.911 -4.459 0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 138 9.257 -6.161 0.916 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.473 -5.475 1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.926 -3.812 1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 138 10.433 -4.683 4.092 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.922 -4.417 3.245 1.00 0.00 H new ATOM 0 HE ARG A 138 8.515 -6.725 3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 138 11.827 -6.032 4.226 1.00 0.00 H new ATOM 0 HH12 ARG A 138 12.129 -7.685 4.772 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.912 -8.847 3.920 1.00 0.00 H new ATOM 0 HH22 ARG A 138 10.487 -9.271 4.599 1.00 0.00 H new ATOM 834 N LYS A 139 11.159 -7.523 -0.899 1.00 0.00 N ATOM 835 CA LYS A 139 12.073 -8.660 -0.894 1.00 0.00 C ATOM 836 C LYS A 139 12.818 -8.787 -2.222 1.00 0.00 C ATOM 837 O LYS A 139 14.030 -8.997 -2.245 1.00 0.00 O ATOM 838 CB LYS A 139 11.303 -9.951 -0.605 1.00 0.00 C ATOM 839 CG LYS A 139 12.164 -11.202 -0.665 1.00 0.00 C ATOM 840 CD LYS A 139 13.263 -11.177 0.385 1.00 0.00 C ATOM 841 CE LYS A 139 14.103 -12.443 0.341 1.00 0.00 C ATOM 842 NZ LYS A 139 13.286 -13.661 0.600 1.00 0.00 N ATOM 0 H LYS A 139 10.213 -7.744 -1.210 1.00 0.00 H new ATOM 0 HA LYS A 139 12.810 -8.491 -0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 139 10.850 -9.880 0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 139 10.488 -10.046 -1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 139 11.538 -12.082 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 139 12.609 -11.291 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 139 13.902 -10.309 0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 139 12.820 -11.067 1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 139 14.581 -12.528 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 139 14.900 -12.376 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 13.914 -14.462 0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 12.656 -13.491 1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 12.717 -13.883 -0.242 1.00 0.00 H new ATOM 856 N GLN A 140 12.088 -8.659 -3.325 1.00 0.00 N ATOM 857 CA GLN A 140 12.684 -8.772 -4.653 1.00 0.00 C ATOM 858 C GLN A 140 13.403 -7.488 -5.058 1.00 0.00 C ATOM 859 O GLN A 140 14.453 -7.532 -5.698 1.00 0.00 O ATOM 860 CB GLN A 140 11.612 -9.116 -5.689 1.00 0.00 C ATOM 861 CG GLN A 140 12.153 -9.254 -7.103 1.00 0.00 C ATOM 862 CD GLN A 140 11.089 -9.682 -8.095 1.00 0.00 C ATOM 863 OE1 GLN A 140 9.909 -9.374 -7.930 1.00 0.00 O ATOM 864 NE2 GLN A 140 11.504 -10.398 -9.135 1.00 0.00 N ATOM 0 H GLN A 140 11.084 -8.477 -3.327 1.00 0.00 H new ATOM 0 HA GLN A 140 13.421 -9.574 -4.615 1.00 0.00 H new ATOM 0 HB2 GLN A 140 11.127 -10.049 -5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 140 10.845 -8.342 -5.677 1.00 0.00 H new ATOM 0 HG2 GLN A 140 12.578 -8.302 -7.420 1.00 0.00 H new ATOM 0 HG3 GLN A 140 12.964 -9.983 -7.108 1.00 0.00 H new ATOM 0 HE21 GLN A 140 12.492 -10.631 -9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 140 10.834 -10.715 -9.836 1.00 0.00 H new ATOM 873 N GLN A 141 12.836 -6.348 -4.681 1.00 0.00 N ATOM 874 CA GLN A 141 13.427 -5.057 -5.018 1.00 0.00 C ATOM 875 C GLN A 141 13.944 -4.337 -3.775 1.00 0.00 C ATOM 876 O GLN A 141 14.039 -3.111 -3.755 1.00 0.00 O ATOM 877 CB GLN A 141 12.405 -4.178 -5.742 1.00 0.00 C ATOM 878 CG GLN A 141 11.915 -4.769 -7.054 1.00 0.00 C ATOM 879 CD GLN A 141 13.037 -4.988 -8.050 1.00 0.00 C ATOM 880 OE1 GLN A 141 13.648 -6.056 -8.090 1.00 0.00 O ATOM 881 NE2 GLN A 141 13.315 -3.974 -8.861 1.00 0.00 N ATOM 0 H GLN A 141 11.971 -6.290 -4.144 1.00 0.00 H new ATOM 0 HA GLN A 141 14.274 -5.243 -5.678 1.00 0.00 H new ATOM 0 HB2 GLN A 141 11.550 -4.013 -5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 141 12.850 -3.202 -5.937 1.00 0.00 H new ATOM 0 HG2 GLN A 141 11.418 -5.719 -6.857 1.00 0.00 H new ATOM 0 HG3 GLN A 141 11.170 -4.105 -7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 141 12.783 -3.106 -8.793 1.00 0.00 H new ATOM 0 HE22 GLN A 141 14.060 -4.063 -9.552 1.00 0.00 H new ATOM 890 N GLU A 142 14.276 -5.104 -2.741 1.00 0.00 N ATOM 891 CA GLU A 142 14.789 -4.529 -1.501 1.00 0.00 C ATOM 892 C GLU A 142 13.894 -3.395 -1.011 1.00 0.00 C ATOM 893 O GLU A 142 14.088 -2.250 -1.471 1.00 0.00 O ATOM 894 CB GLU A 142 16.215 -4.015 -1.708 1.00 0.00 C ATOM 895 CG GLU A 142 16.793 -3.312 -0.489 1.00 0.00 C ATOM 896 CD GLU A 142 16.914 -4.229 0.710 1.00 0.00 C ATOM 897 OE1 GLU A 142 15.932 -4.343 1.473 1.00 0.00 O ATOM 898 OE2 GLU A 142 17.991 -4.837 0.887 1.00 0.00 O ATOM 899 OXT GLU A 142 13.008 -3.659 -0.172 1.00 0.00 O ATOM 0 H GLU A 142 14.200 -6.121 -2.736 1.00 0.00 H new ATOM 0 HA GLU A 142 14.796 -5.312 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 142 16.859 -4.853 -1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 142 16.225 -3.326 -2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 142 17.776 -2.913 -0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 142 16.160 -2.463 -0.230 1.00 0.00 H new TER 906 GLU A 142 HETATM 907 ZN ZN A 292 -3.420 -6.916 2.245 1.00 0.00 ZN HETATM 908 ZN ZN A 308 5.185 -3.376 -5.443 1.00 0.00 ZN