USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=17 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 Set 1.1: A 127 SER OG : rot 122:sc= -1.23 USER MOD Set 1.2: A 128 ASN : amide:sc= -0.525 K(o=-1.8,f=-2.3) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -6.44! C(o=-6.4!,f=-9.4!) 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 -173:sc= 0.141 USER MOD Single : A 96 HIS : no HD1:sc= -3.16! C(o=-3.2!,f=-3.3!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 156:sc= -0.102 (180deg=-1.11) USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HE2:sc= -7.56! C(o=-7.6!,f=-9.9!) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.153 F(o=-2.4,f=-0.15) USER MOD Single : A 108 CYS SG : rot 158:sc= 0.0524 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -170:sc= -0.0224 (180deg=-0.164) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 MET CE :methyl 154:sc= -1.99! (180deg=-3.7!) USER MOD Single : A 135 ASN : amide:sc= -1.67! X(o=-1.7!,f=-1.6) USER MOD Single : A 139 LYS NZ :NH3+ 167:sc= -0.035 (180deg=-0.255) USER MOD Single : A 140 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.39) USER MOD Single : A 141 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 83 -15.868 16.921 -2.763 1.00 0.00 N ATOM 2 CA GLN A 83 -16.530 16.924 -1.433 1.00 0.00 C ATOM 3 C GLN A 83 -17.442 15.711 -1.275 1.00 0.00 C ATOM 4 O GLN A 83 -17.399 15.019 -0.258 1.00 0.00 O ATOM 5 CB GLN A 83 -17.337 18.211 -1.247 1.00 0.00 C ATOM 6 CG GLN A 83 -18.391 18.431 -2.320 1.00 0.00 C ATOM 7 CD GLN A 83 -19.135 19.740 -2.142 1.00 0.00 C ATOM 8 OE1 GLN A 83 -20.163 19.798 -1.467 1.00 0.00 O ATOM 9 NE2 GLN A 83 -18.620 20.801 -2.751 1.00 0.00 N ATOM 0 HA GLN A 83 -15.755 16.874 -0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.823 18.187 -0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -16.654 19.060 -1.242 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.915 18.417 -3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -19.103 17.606 -2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -17.766 20.709 -3.301 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -19.078 21.709 -2.669 1.00 0.00 H new ATOM 18 N GLU A 84 -18.268 15.459 -2.286 1.00 0.00 N ATOM 19 CA GLU A 84 -19.188 14.328 -2.255 1.00 0.00 C ATOM 20 C GLU A 84 -18.456 13.022 -2.551 1.00 0.00 C ATOM 21 O GLU A 84 -18.559 12.475 -3.649 1.00 0.00 O ATOM 22 CB GLU A 84 -20.319 14.530 -3.266 1.00 0.00 C ATOM 23 CG GLU A 84 -21.227 15.703 -2.938 1.00 0.00 C ATOM 24 CD GLU A 84 -21.901 15.561 -1.586 1.00 0.00 C ATOM 25 OE1 GLU A 84 -22.963 14.907 -1.517 1.00 0.00 O ATOM 26 OE2 GLU A 84 -21.365 16.103 -0.596 1.00 0.00 O ATOM 0 H GLU A 84 -18.319 16.022 -3.135 1.00 0.00 H new ATOM 0 HA GLU A 84 -19.613 14.269 -1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -19.888 14.681 -4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -20.918 13.621 -3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -20.644 16.624 -2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -21.989 15.795 -3.712 1.00 0.00 H new ATOM 33 N GLN A 85 -17.714 12.530 -1.564 1.00 0.00 N ATOM 34 CA GLN A 85 -16.963 11.289 -1.716 1.00 0.00 C ATOM 35 C GLN A 85 -17.680 10.129 -1.033 1.00 0.00 C ATOM 36 O GLN A 85 -17.576 9.948 0.179 1.00 0.00 O ATOM 37 CB GLN A 85 -15.557 11.448 -1.136 1.00 0.00 C ATOM 38 CG GLN A 85 -14.628 12.275 -2.011 1.00 0.00 C ATOM 39 CD GLN A 85 -15.191 13.647 -2.330 1.00 0.00 C ATOM 40 OE1 GLN A 85 -14.966 14.609 -1.595 1.00 0.00 O ATOM 41 NE2 GLN A 85 -15.927 13.743 -3.431 1.00 0.00 N ATOM 0 H GLN A 85 -17.617 12.972 -0.650 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.888 11.067 -2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -15.629 11.915 -0.154 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -15.120 10.460 -0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -13.668 12.389 -1.508 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -14.439 11.739 -2.941 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -16.087 12.919 -4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -16.332 14.641 -3.697 1.00 0.00 H new ATOM 50 N LYS A 86 -18.409 9.346 -1.823 1.00 0.00 N ATOM 51 CA LYS A 86 -19.144 8.200 -1.299 1.00 0.00 C ATOM 52 C LYS A 86 -19.349 7.148 -2.384 1.00 0.00 C ATOM 53 O LYS A 86 -20.246 7.267 -3.218 1.00 0.00 O ATOM 54 CB LYS A 86 -20.498 8.645 -0.741 1.00 0.00 C ATOM 55 CG LYS A 86 -20.385 9.636 0.406 1.00 0.00 C ATOM 56 CD LYS A 86 -21.753 10.028 0.943 1.00 0.00 C ATOM 57 CE LYS A 86 -21.639 11.050 2.062 1.00 0.00 C ATOM 58 NZ LYS A 86 -22.971 11.435 2.601 1.00 0.00 N ATOM 0 H LYS A 86 -18.506 9.485 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 86 -18.556 7.759 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -21.082 9.095 -1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -21.048 7.768 -0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.790 9.199 1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -19.857 10.527 0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -22.359 10.438 0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -22.269 9.141 1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.027 10.641 2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.127 11.938 1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.849 12.133 3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -23.547 11.849 1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -23.450 10.592 2.978 1.00 0.00 H new ATOM 72 N GLY A 87 -18.511 6.116 -2.365 1.00 0.00 N ATOM 73 CA GLY A 87 -18.616 5.059 -3.353 1.00 0.00 C ATOM 74 C GLY A 87 -18.090 3.731 -2.847 1.00 0.00 C ATOM 75 O GLY A 87 -18.644 3.150 -1.913 1.00 0.00 O ATOM 0 H GLY A 87 -17.762 5.993 -1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -19.659 4.944 -3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.063 5.347 -4.247 1.00 0.00 H new ATOM 79 N ASP A 88 -17.016 3.249 -3.463 1.00 0.00 N ATOM 80 CA ASP A 88 -16.414 1.978 -3.075 1.00 0.00 C ATOM 81 C ASP A 88 -15.394 2.171 -1.957 1.00 0.00 C ATOM 82 O ASP A 88 -14.566 3.080 -2.008 1.00 0.00 O ATOM 83 CB ASP A 88 -15.744 1.318 -4.281 1.00 0.00 C ATOM 84 CG ASP A 88 -16.723 1.031 -5.403 1.00 0.00 C ATOM 85 OD1 ASP A 88 -16.922 1.918 -6.259 1.00 0.00 O ATOM 86 OD2 ASP A 88 -17.290 -0.082 -5.424 1.00 0.00 O ATOM 0 H ASP A 88 -16.544 3.720 -4.235 1.00 0.00 H new ATOM 0 HA ASP A 88 -17.209 1.330 -2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.951 1.967 -4.652 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.273 0.387 -3.967 1.00 0.00 H new ATOM 91 N ALA A 89 -15.462 1.307 -0.949 1.00 0.00 N ATOM 92 CA ALA A 89 -14.547 1.375 0.182 1.00 0.00 C ATOM 93 C ALA A 89 -13.138 0.956 -0.227 1.00 0.00 C ATOM 94 O ALA A 89 -12.937 0.398 -1.306 1.00 0.00 O ATOM 95 CB ALA A 89 -15.051 0.497 1.316 1.00 0.00 C ATOM 0 H ALA A 89 -16.144 0.550 -0.894 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.505 2.409 0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.359 0.555 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -16.036 0.841 1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -15.120 -0.536 0.974 1.00 0.00 H new ATOM 101 N PRO A 90 -12.143 1.217 0.637 1.00 0.00 N ATOM 102 CA PRO A 90 -10.750 0.876 0.378 1.00 0.00 C ATOM 103 C PRO A 90 -10.453 -0.567 0.758 1.00 0.00 C ATOM 104 O PRO A 90 -10.783 -0.996 1.861 1.00 0.00 O ATOM 105 CB PRO A 90 -9.971 1.837 1.289 1.00 0.00 C ATOM 106 CG PRO A 90 -10.995 2.596 2.079 1.00 0.00 C ATOM 107 CD PRO A 90 -12.286 1.842 1.949 1.00 0.00 C ATOM 0 HA PRO A 90 -10.488 0.968 -0.676 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.300 1.288 1.949 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.354 2.516 0.700 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.697 2.675 3.124 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.101 3.612 1.700 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.409 1.104 2.741 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.151 2.504 1.993 1.00 0.00 H new ATOM 115 N THR A 91 -9.820 -1.310 -0.142 1.00 0.00 N ATOM 116 CA THR A 91 -9.513 -2.709 0.130 1.00 0.00 C ATOM 117 C THR A 91 -8.093 -3.086 -0.270 1.00 0.00 C ATOM 118 O THR A 91 -7.520 -2.533 -1.208 1.00 0.00 O ATOM 119 CB THR A 91 -10.494 -3.653 -0.586 1.00 0.00 C ATOM 120 OG1 THR A 91 -10.753 -3.184 -1.914 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.798 -3.759 0.189 1.00 0.00 C ATOM 0 H THR A 91 -9.513 -0.973 -1.054 1.00 0.00 H new ATOM 0 HA THR A 91 -9.612 -2.825 1.209 1.00 0.00 H new ATOM 0 HB THR A 91 -10.039 -4.642 -0.640 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.377 -3.794 -2.360 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.478 -4.431 -0.334 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.598 -4.150 1.187 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.254 -2.772 0.270 1.00 0.00 H new ATOM 129 N CYS A 92 -7.540 -4.040 0.469 1.00 0.00 N ATOM 130 CA CYS A 92 -6.197 -4.543 0.226 1.00 0.00 C ATOM 131 C CYS A 92 -6.159 -5.366 -1.063 1.00 0.00 C ATOM 132 O CYS A 92 -7.040 -6.189 -1.307 1.00 0.00 O ATOM 133 CB CYS A 92 -5.767 -5.397 1.419 1.00 0.00 C ATOM 134 SG CYS A 92 -4.091 -6.062 1.322 1.00 0.00 S ATOM 0 H CYS A 92 -8.013 -4.486 1.255 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.509 -3.706 0.109 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.851 -4.796 2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.465 -6.228 1.522 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.895 -6.891 2.304 1.00 0.00 H new ATOM 139 N GLY A 93 -5.130 -5.145 -1.880 1.00 0.00 N ATOM 140 CA GLY A 93 -5.009 -5.870 -3.136 1.00 0.00 C ATOM 141 C GLY A 93 -4.427 -7.266 -2.974 1.00 0.00 C ATOM 142 O GLY A 93 -4.114 -7.930 -3.963 1.00 0.00 O ATOM 0 H GLY A 93 -4.380 -4.479 -1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.993 -5.946 -3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.379 -5.299 -3.818 1.00 0.00 H new ATOM 146 N ILE A 94 -4.281 -7.714 -1.733 1.00 0.00 N ATOM 147 CA ILE A 94 -3.736 -9.033 -1.451 1.00 0.00 C ATOM 148 C ILE A 94 -4.763 -9.905 -0.732 1.00 0.00 C ATOM 149 O ILE A 94 -5.315 -10.838 -1.313 1.00 0.00 O ATOM 150 CB ILE A 94 -2.463 -8.930 -0.585 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.381 -8.153 -1.325 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.946 -10.310 -0.205 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.567 -6.654 -1.281 1.00 0.00 C ATOM 0 H ILE A 94 -4.535 -7.179 -0.903 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.483 -9.492 -2.407 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.721 -8.398 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.410 -8.402 -0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.362 -8.477 -2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.049 -10.207 0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.711 -10.842 0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.708 -10.871 -1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.758 -6.171 -1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.522 -6.392 -1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.555 -6.316 -0.245 1.00 0.00 H new ATOM 165 N CYS A 95 -5.009 -9.592 0.535 1.00 0.00 N ATOM 166 CA CYS A 95 -5.968 -10.347 1.335 1.00 0.00 C ATOM 167 C CYS A 95 -7.390 -9.795 1.193 1.00 0.00 C ATOM 168 O CYS A 95 -8.342 -10.384 1.704 1.00 0.00 O ATOM 169 CB CYS A 95 -5.548 -10.363 2.810 1.00 0.00 C ATOM 170 SG CYS A 95 -5.064 -8.738 3.481 1.00 0.00 S ATOM 0 H CYS A 95 -4.559 -8.822 1.030 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.971 -11.369 0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.373 -10.755 3.405 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.713 -11.053 2.929 1.00 0.00 H new ATOM 175 N HIS A 96 -7.527 -8.660 0.502 1.00 0.00 N ATOM 176 CA HIS A 96 -8.832 -8.040 0.285 1.00 0.00 C ATOM 177 C HIS A 96 -9.664 -8.011 1.564 1.00 0.00 C ATOM 178 O HIS A 96 -10.893 -8.006 1.512 1.00 0.00 O ATOM 179 CB HIS A 96 -9.595 -8.780 -0.817 1.00 0.00 C ATOM 180 CG HIS A 96 -9.767 -10.244 -0.552 1.00 0.00 C ATOM 181 ND1 HIS A 96 -10.778 -10.753 0.236 1.00 0.00 N ATOM 182 CD2 HIS A 96 -9.051 -11.312 -0.979 1.00 0.00 C ATOM 183 CE1 HIS A 96 -10.676 -12.070 0.285 1.00 0.00 C ATOM 184 NE2 HIS A 96 -9.637 -12.432 -0.444 1.00 0.00 N ATOM 0 H HIS A 96 -6.747 -8.153 0.084 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.658 -7.009 -0.024 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.578 -8.323 -0.936 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -9.067 -8.650 -1.762 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.182 -11.287 -1.620 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -11.330 -12.736 0.828 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -9.320 -13.391 -0.587 1.00 0.00 H new ATOM 193 N LYS A 97 -8.991 -7.981 2.709 1.00 0.00 N ATOM 194 CA LYS A 97 -9.678 -7.949 3.994 1.00 0.00 C ATOM 195 C LYS A 97 -9.493 -6.597 4.675 1.00 0.00 C ATOM 196 O LYS A 97 -10.464 -5.919 5.008 1.00 0.00 O ATOM 197 CB LYS A 97 -9.164 -9.065 4.905 1.00 0.00 C ATOM 198 CG LYS A 97 -9.836 -9.090 6.269 1.00 0.00 C ATOM 199 CD LYS A 97 -9.346 -10.257 7.110 1.00 0.00 C ATOM 200 CE LYS A 97 -9.657 -11.589 6.449 1.00 0.00 C ATOM 201 NZ LYS A 97 -9.298 -12.740 7.322 1.00 0.00 N ATOM 0 H LYS A 97 -7.973 -7.978 2.773 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.741 -8.103 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.320 -10.025 4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.089 -8.947 5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.636 -8.154 6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.916 -9.160 6.142 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.271 -10.169 7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.814 -10.220 8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.719 -11.635 6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.112 -11.663 5.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.526 -13.630 6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -8.280 -12.712 7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.837 -12.684 8.210 1.00 0.00 H new ATOM 215 N THR A 98 -8.239 -6.213 4.880 1.00 0.00 N ATOM 216 CA THR A 98 -7.921 -4.945 5.516 1.00 0.00 C ATOM 217 C THR A 98 -8.418 -3.771 4.676 1.00 0.00 C ATOM 218 O THR A 98 -7.928 -3.535 3.571 1.00 0.00 O ATOM 219 CB THR A 98 -6.400 -4.810 5.746 1.00 0.00 C ATOM 220 OG1 THR A 98 -5.947 -5.837 6.635 1.00 0.00 O ATOM 221 CG2 THR A 98 -6.045 -3.447 6.319 1.00 0.00 C ATOM 0 H THR A 98 -7.424 -6.766 4.613 1.00 0.00 H new ATOM 0 HA THR A 98 -8.428 -4.927 6.481 1.00 0.00 H new ATOM 0 HB THR A 98 -5.905 -4.914 4.780 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.981 -5.746 6.775 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.967 -3.385 6.469 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.360 -2.667 5.626 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.553 -3.310 7.274 1.00 0.00 H new ATOM 229 N LYS A 99 -9.395 -3.040 5.206 1.00 0.00 N ATOM 230 CA LYS A 99 -9.952 -1.892 4.511 1.00 0.00 C ATOM 231 C LYS A 99 -9.251 -0.617 4.956 1.00 0.00 C ATOM 232 O LYS A 99 -9.285 -0.255 6.132 1.00 0.00 O ATOM 233 CB LYS A 99 -11.455 -1.787 4.782 1.00 0.00 C ATOM 234 CG LYS A 99 -12.221 -3.054 4.439 1.00 0.00 C ATOM 235 CD LYS A 99 -13.584 -3.083 5.113 1.00 0.00 C ATOM 236 CE LYS A 99 -14.463 -1.932 4.649 1.00 0.00 C ATOM 237 NZ LYS A 99 -14.779 -2.025 3.197 1.00 0.00 N ATOM 0 H LYS A 99 -9.815 -3.226 6.117 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.796 -2.024 3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.611 -1.551 5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.863 -0.957 4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.347 -3.123 3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.643 -3.925 4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.078 -4.030 4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.457 -3.031 6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.390 -1.929 5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.960 -0.987 4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.660 -1.508 3.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.002 -1.609 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.897 -3.023 2.931 1.00 0.00 H new ATOM 251 N PHE A 100 -8.613 0.064 4.011 1.00 0.00 N ATOM 252 CA PHE A 100 -7.891 1.293 4.324 1.00 0.00 C ATOM 253 C PHE A 100 -8.818 2.322 4.962 1.00 0.00 C ATOM 254 O PHE A 100 -10.012 2.074 5.136 1.00 0.00 O ATOM 255 CB PHE A 100 -7.246 1.890 3.072 1.00 0.00 C ATOM 256 CG PHE A 100 -6.672 0.872 2.126 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.854 -0.147 2.587 1.00 0.00 C ATOM 258 CD2 PHE A 100 -6.941 0.948 0.768 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.316 -1.070 1.711 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.408 0.027 -0.112 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.594 -0.984 0.360 1.00 0.00 C ATOM 0 H PHE A 100 -8.580 -0.211 3.029 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.105 1.036 5.034 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.991 2.483 2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.453 2.573 3.377 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.635 -0.220 3.642 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.576 1.738 0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.678 -1.859 2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.627 0.097 -1.167 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.175 -1.706 -0.325 1.00 0.00 H new ATOM 271 N ALA A 101 -8.261 3.480 5.304 1.00 0.00 N ATOM 272 CA ALA A 101 -9.036 4.548 5.925 1.00 0.00 C ATOM 273 C ALA A 101 -10.016 5.168 4.935 1.00 0.00 C ATOM 274 O ALA A 101 -10.223 4.643 3.842 1.00 0.00 O ATOM 275 CB ALA A 101 -8.105 5.614 6.486 1.00 0.00 C ATOM 0 H ALA A 101 -7.276 3.702 5.161 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.614 4.115 6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.695 6.406 6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.449 5.168 7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.503 6.033 5.679 1.00 0.00 H new ATOM 281 N ASP A 102 -10.620 6.284 5.326 1.00 0.00 N ATOM 282 CA ASP A 102 -11.580 6.971 4.470 1.00 0.00 C ATOM 283 C ASP A 102 -10.971 7.281 3.106 1.00 0.00 C ATOM 284 O ASP A 102 -11.636 7.157 2.077 1.00 0.00 O ATOM 285 CB ASP A 102 -12.056 8.265 5.134 1.00 0.00 C ATOM 286 CG ASP A 102 -10.912 9.210 5.444 1.00 0.00 C ATOM 287 OD1 ASP A 102 -10.489 9.949 4.530 1.00 0.00 O ATOM 288 OD2 ASP A 102 -10.440 9.211 6.600 1.00 0.00 O ATOM 0 H ASP A 102 -10.462 6.732 6.229 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.434 6.310 4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -12.769 8.765 4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -12.585 8.024 6.056 1.00 0.00 H new ATOM 293 N GLY A 103 -9.705 7.683 3.105 1.00 0.00 N ATOM 294 CA GLY A 103 -9.033 8.006 1.862 1.00 0.00 C ATOM 295 C GLY A 103 -8.447 6.786 1.178 1.00 0.00 C ATOM 296 O GLY A 103 -9.153 6.060 0.478 1.00 0.00 O ATOM 0 H GLY A 103 -9.133 7.791 3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.739 8.491 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.237 8.724 2.060 1.00 0.00 H new ATOM 300 N CYS A 104 -7.153 6.562 1.381 1.00 0.00 N ATOM 301 CA CYS A 104 -6.471 5.423 0.775 1.00 0.00 C ATOM 302 C CYS A 104 -5.428 4.843 1.726 1.00 0.00 C ATOM 303 O CYS A 104 -4.850 5.562 2.542 1.00 0.00 O ATOM 304 CB CYS A 104 -5.807 5.844 -0.536 1.00 0.00 C ATOM 305 SG CYS A 104 -4.570 7.150 -0.353 1.00 0.00 S ATOM 0 H CYS A 104 -6.556 7.153 1.960 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.213 4.652 0.569 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -5.334 4.972 -0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -6.578 6.183 -1.228 1.00 0.00 H new ATOM 0 HG CYS A 104 -4.064 7.435 -1.516 1.00 0.00 H new ATOM 311 N GLY A 105 -5.192 3.539 1.615 1.00 0.00 N ATOM 312 CA GLY A 105 -4.221 2.884 2.473 1.00 0.00 C ATOM 313 C GLY A 105 -2.803 2.998 1.953 1.00 0.00 C ATOM 314 O GLY A 105 -2.373 4.070 1.527 1.00 0.00 O ATOM 0 H GLY A 105 -5.656 2.924 0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.273 3.320 3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.483 1.831 2.571 1.00 0.00 H new ATOM 318 N HIS A 106 -2.078 1.886 1.983 1.00 0.00 N ATOM 319 CA HIS A 106 -0.698 1.859 1.515 1.00 0.00 C ATOM 320 C HIS A 106 -0.627 1.337 0.087 1.00 0.00 C ATOM 321 O HIS A 106 -1.110 0.244 -0.210 1.00 0.00 O ATOM 322 CB HIS A 106 0.163 0.986 2.430 1.00 0.00 C ATOM 323 CG HIS A 106 0.105 1.389 3.872 1.00 0.00 C ATOM 324 ND1 HIS A 106 0.570 2.602 4.334 1.00 0.00 N ATOM 325 CD2 HIS A 106 -0.367 0.731 4.959 1.00 0.00 C ATOM 326 CE1 HIS A 106 0.389 2.673 5.641 1.00 0.00 C ATOM 327 NE2 HIS A 106 -0.179 1.552 6.044 1.00 0.00 N ATOM 0 H HIS A 106 -2.424 0.990 2.327 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.314 2.879 1.537 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.160 -0.051 2.338 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.198 1.029 2.091 1.00 0.00 H new ATOM 0 HD1 HIS A 106 0.989 3.331 3.757 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -0.808 -0.255 4.970 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.660 3.507 6.272 1.00 0.00 H new ATOM 336 N ASN A 107 -0.025 2.124 -0.795 1.00 0.00 N ATOM 337 CA ASN A 107 0.102 1.741 -2.195 1.00 0.00 C ATOM 338 C ASN A 107 1.563 1.516 -2.566 1.00 0.00 C ATOM 339 O ASN A 107 2.432 2.319 -2.225 1.00 0.00 O ATOM 340 CB ASN A 107 -0.507 2.817 -3.098 1.00 0.00 C ATOM 341 CG ASN A 107 -1.860 3.312 -2.609 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.597 2.464 -1.894 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -2.238 4.455 -2.868 1.00 0.00 N flip ATOM 0 H ASN A 107 0.383 3.031 -0.566 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.439 0.806 -2.341 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.180 3.661 -3.162 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.616 2.418 -4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.645 5.076 -3.419 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.144 4.781 -2.532 1.00 0.00 H new ATOM 350 N CYS A 108 1.825 0.418 -3.265 1.00 0.00 N ATOM 351 CA CYS A 108 3.181 0.085 -3.681 1.00 0.00 C ATOM 352 C CYS A 108 3.803 1.230 -4.471 1.00 0.00 C ATOM 353 O CYS A 108 3.268 1.657 -5.493 1.00 0.00 O ATOM 354 CB CYS A 108 3.183 -1.183 -4.535 1.00 0.00 C ATOM 355 SG CYS A 108 4.834 -1.846 -4.858 1.00 0.00 S ATOM 0 H CYS A 108 1.117 -0.256 -3.555 1.00 0.00 H new ATOM 0 HA CYS A 108 3.773 -0.086 -2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.587 -1.947 -4.036 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.695 -0.969 -5.486 1.00 0.00 H new ATOM 0 HG CYS A 108 4.744 -3.108 -5.158 1.00 0.00 H new ATOM 360 N SER A 109 4.941 1.719 -3.992 1.00 0.00 N ATOM 361 CA SER A 109 5.644 2.810 -4.653 1.00 0.00 C ATOM 362 C SER A 109 6.016 2.437 -6.087 1.00 0.00 C ATOM 363 O SER A 109 6.318 3.309 -6.902 1.00 0.00 O ATOM 364 CB SER A 109 6.904 3.178 -3.870 1.00 0.00 C ATOM 365 OG SER A 109 7.629 4.208 -4.520 1.00 0.00 O ATOM 0 H SER A 109 5.397 1.376 -3.146 1.00 0.00 H new ATOM 0 HA SER A 109 4.975 3.670 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.630 3.501 -2.866 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.537 2.298 -3.760 1.00 0.00 H new ATOM 0 HG SER A 109 8.429 4.425 -3.997 1.00 0.00 H new ATOM 371 N TYR A 110 5.994 1.140 -6.392 1.00 0.00 N ATOM 372 CA TYR A 110 6.340 0.668 -7.726 1.00 0.00 C ATOM 373 C TYR A 110 5.102 0.198 -8.496 1.00 0.00 C ATOM 374 O TYR A 110 4.622 0.886 -9.396 1.00 0.00 O ATOM 375 CB TYR A 110 7.367 -0.465 -7.631 1.00 0.00 C ATOM 376 CG TYR A 110 8.590 -0.111 -6.813 1.00 0.00 C ATOM 377 CD1 TYR A 110 9.586 0.702 -7.340 1.00 0.00 C ATOM 378 CD2 TYR A 110 8.752 -0.592 -5.517 1.00 0.00 C ATOM 379 CE1 TYR A 110 10.709 1.025 -6.600 1.00 0.00 C ATOM 380 CE2 TYR A 110 9.871 -0.271 -4.773 1.00 0.00 C ATOM 381 CZ TYR A 110 10.846 0.537 -5.319 1.00 0.00 C ATOM 382 OH TYR A 110 11.962 0.855 -4.581 1.00 0.00 O ATOM 0 H TYR A 110 5.741 0.403 -5.734 1.00 0.00 H new ATOM 0 HA TYR A 110 6.774 1.503 -8.275 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.889 -1.341 -7.193 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.682 -0.743 -8.637 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.482 1.088 -8.343 1.00 0.00 H new ATOM 0 HD2 TYR A 110 7.991 -1.226 -5.086 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.475 1.657 -7.025 1.00 0.00 H new ATOM 0 HE2 TYR A 110 9.982 -0.651 -3.768 1.00 0.00 H new ATOM 0 HH TYR A 110 11.903 0.432 -3.699 1.00 0.00 H new ATOM 392 N CYS A 111 4.593 -0.977 -8.136 1.00 0.00 N ATOM 393 CA CYS A 111 3.420 -1.547 -8.793 1.00 0.00 C ATOM 394 C CYS A 111 2.209 -0.629 -8.674 1.00 0.00 C ATOM 395 O CYS A 111 1.296 -0.685 -9.496 1.00 0.00 O ATOM 396 CB CYS A 111 3.078 -2.907 -8.184 1.00 0.00 C ATOM 397 SG CYS A 111 4.516 -3.989 -7.910 1.00 0.00 S ATOM 0 H CYS A 111 4.977 -1.556 -7.389 1.00 0.00 H new ATOM 0 HA CYS A 111 3.665 -1.664 -9.849 1.00 0.00 H new ATOM 0 HB2 CYS A 111 2.571 -2.748 -7.232 1.00 0.00 H new ATOM 0 HB3 CYS A 111 2.373 -3.418 -8.839 1.00 0.00 H new ATOM 402 N GLN A 112 2.209 0.210 -7.641 1.00 0.00 N ATOM 403 CA GLN A 112 1.102 1.132 -7.392 1.00 0.00 C ATOM 404 C GLN A 112 -0.110 0.398 -6.810 1.00 0.00 C ATOM 405 O GLN A 112 -1.154 1.006 -6.579 1.00 0.00 O ATOM 406 CB GLN A 112 0.699 1.861 -8.678 1.00 0.00 C ATOM 407 CG GLN A 112 1.871 2.465 -9.433 1.00 0.00 C ATOM 408 CD GLN A 112 2.570 3.556 -8.647 1.00 0.00 C ATOM 409 OE1 GLN A 112 3.568 3.173 -7.859 1.00 0.00 O flip ATOM 410 NE2 GLN A 112 2.219 4.731 -8.747 1.00 0.00 N flip ATOM 0 H GLN A 112 2.966 0.271 -6.960 1.00 0.00 H new ATOM 0 HA GLN A 112 1.446 1.866 -6.663 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.178 1.162 -9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.008 2.653 -8.430 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.587 1.679 -9.673 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.517 2.874 -10.379 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.447 4.982 -9.364 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.700 5.454 -8.212 1.00 0.00 H new ATOM 419 N THR A 113 0.029 -0.910 -6.574 1.00 0.00 N ATOM 420 CA THR A 113 -1.057 -1.704 -6.019 1.00 0.00 C ATOM 421 C THR A 113 -1.383 -1.265 -4.597 1.00 0.00 C ATOM 422 O THR A 113 -0.488 -0.936 -3.819 1.00 0.00 O ATOM 423 CB THR A 113 -0.715 -3.206 -6.012 1.00 0.00 C ATOM 424 OG1 THR A 113 -0.427 -3.651 -7.343 1.00 0.00 O ATOM 425 CG2 THR A 113 -1.868 -4.019 -5.439 1.00 0.00 C ATOM 0 H THR A 113 0.883 -1.435 -6.760 1.00 0.00 H new ATOM 0 HA THR A 113 -1.924 -1.542 -6.659 1.00 0.00 H new ATOM 0 HB THR A 113 0.163 -3.353 -5.383 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.209 -4.606 -7.329 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.605 -5.077 -5.444 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.066 -3.699 -4.416 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.760 -3.864 -6.047 1.00 0.00 H new ATOM 433 N LYS A 114 -2.667 -1.265 -4.263 1.00 0.00 N ATOM 434 CA LYS A 114 -3.105 -0.863 -2.933 1.00 0.00 C ATOM 435 C LYS A 114 -3.056 -2.039 -1.967 1.00 0.00 C ATOM 436 O LYS A 114 -3.816 -2.997 -2.102 1.00 0.00 O ATOM 437 CB LYS A 114 -4.519 -0.288 -2.993 1.00 0.00 C ATOM 438 CG LYS A 114 -4.699 0.762 -4.078 1.00 0.00 C ATOM 439 CD LYS A 114 -6.124 1.289 -4.120 1.00 0.00 C ATOM 440 CE LYS A 114 -6.324 2.260 -5.272 1.00 0.00 C ATOM 441 NZ LYS A 114 -5.409 3.431 -5.179 1.00 0.00 N ATOM 0 H LYS A 114 -3.421 -1.538 -4.893 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.425 -0.093 -2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.226 -1.100 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.765 0.153 -2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.010 1.589 -3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.441 0.333 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.819 0.455 -4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.357 1.786 -3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.155 1.742 -6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.357 2.607 -5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.689 4.147 -5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.465 3.840 -4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.433 3.125 -5.368 1.00 0.00 H new ATOM 455 N PHE A 115 -2.155 -1.959 -0.995 1.00 0.00 N ATOM 456 CA PHE A 115 -2.006 -3.018 -0.007 1.00 0.00 C ATOM 457 C PHE A 115 -2.050 -2.462 1.410 1.00 0.00 C ATOM 458 O PHE A 115 -1.886 -1.262 1.627 1.00 0.00 O ATOM 459 CB PHE A 115 -0.703 -3.787 -0.232 1.00 0.00 C ATOM 460 CG PHE A 115 0.537 -2.937 -0.182 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.929 -2.320 0.995 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.319 -2.770 -1.314 1.00 0.00 C ATOM 463 CE1 PHE A 115 2.077 -1.550 1.042 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.466 -2.001 -1.273 1.00 0.00 C ATOM 465 CZ PHE A 115 2.846 -1.391 -0.094 1.00 0.00 C ATOM 0 H PHE A 115 -1.518 -1.172 -0.871 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.844 -3.704 -0.129 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.623 -4.570 0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.750 -4.282 -1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.331 -2.442 1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.028 -3.246 -2.239 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.372 -1.074 1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.065 -1.877 -2.163 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.743 -0.791 -0.060 1.00 0.00 H new ATOM 475 N CYS A 116 -2.276 -3.352 2.368 1.00 0.00 N ATOM 476 CA CYS A 116 -2.355 -2.969 3.770 1.00 0.00 C ATOM 477 C CYS A 116 -0.971 -2.964 4.407 1.00 0.00 C ATOM 478 O CYS A 116 0.001 -3.422 3.807 1.00 0.00 O ATOM 479 CB CYS A 116 -3.278 -3.925 4.530 1.00 0.00 C ATOM 480 SG CYS A 116 -2.670 -5.643 4.614 1.00 0.00 S ATOM 0 H CYS A 116 -2.408 -4.349 2.197 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.765 -1.961 3.825 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.415 -3.550 5.544 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.258 -3.921 4.053 1.00 0.00 H new ATOM 485 N ALA A 117 -0.888 -2.452 5.628 1.00 0.00 N ATOM 486 CA ALA A 117 0.379 -2.390 6.346 1.00 0.00 C ATOM 487 C ALA A 117 0.978 -3.781 6.557 1.00 0.00 C ATOM 488 O ALA A 117 2.157 -3.912 6.885 1.00 0.00 O ATOM 489 CB ALA A 117 0.190 -1.691 7.683 1.00 0.00 C ATOM 0 H ALA A 117 -1.683 -2.073 6.142 1.00 0.00 H new ATOM 0 HA ALA A 117 1.078 -1.818 5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.143 -1.651 8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.175 -0.678 7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.534 -2.243 8.283 1.00 0.00 H new ATOM 495 N ARG A 118 0.165 -4.819 6.368 1.00 0.00 N ATOM 496 CA ARG A 118 0.629 -6.190 6.548 1.00 0.00 C ATOM 497 C ARG A 118 1.110 -6.799 5.232 1.00 0.00 C ATOM 498 O ARG A 118 1.823 -7.802 5.232 1.00 0.00 O ATOM 499 CB ARG A 118 -0.492 -7.048 7.140 1.00 0.00 C ATOM 500 CG ARG A 118 -1.175 -6.410 8.339 1.00 0.00 C ATOM 501 CD ARG A 118 -0.215 -6.234 9.504 1.00 0.00 C ATOM 502 NE ARG A 118 0.204 -7.515 10.066 1.00 0.00 N ATOM 503 CZ ARG A 118 0.930 -7.633 11.174 1.00 0.00 C ATOM 504 NH1 ARG A 118 1.318 -6.548 11.832 1.00 0.00 N ATOM 505 NH2 ARG A 118 1.267 -8.832 11.625 1.00 0.00 N ATOM 0 H ARG A 118 -0.813 -4.736 6.092 1.00 0.00 H new ATOM 0 HA ARG A 118 1.475 -6.168 7.235 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.237 -7.242 6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.082 -8.013 7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -1.582 -5.440 8.053 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -2.016 -7.029 8.651 1.00 0.00 H new ATOM 0 HD2 ARG A 118 0.662 -5.680 9.170 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -0.693 -5.636 10.280 1.00 0.00 H new ATOM 0 HE ARG A 118 -0.076 -8.368 9.581 1.00 0.00 H new ATOM 0 HH11 ARG A 118 1.059 -5.623 11.488 1.00 0.00 H new ATOM 0 HH12 ARG A 118 1.875 -6.639 12.682 1.00 0.00 H new ATOM 0 HH21 ARG A 118 0.970 -9.668 11.122 1.00 0.00 H new ATOM 0 HH22 ARG A 118 1.824 -8.919 12.475 1.00 0.00 H new ATOM 519 N CYS A 119 0.721 -6.195 4.112 1.00 0.00 N ATOM 520 CA CYS A 119 1.127 -6.694 2.804 1.00 0.00 C ATOM 521 C CYS A 119 2.132 -5.757 2.147 1.00 0.00 C ATOM 522 O CYS A 119 2.126 -5.573 0.930 1.00 0.00 O ATOM 523 CB CYS A 119 -0.089 -6.870 1.903 1.00 0.00 C ATOM 524 SG CYS A 119 -1.213 -8.206 2.428 1.00 0.00 S ATOM 0 H CYS A 119 0.129 -5.365 4.085 1.00 0.00 H new ATOM 0 HA CYS A 119 1.606 -7.662 2.948 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.645 -5.933 1.872 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.250 -7.073 0.887 1.00 0.00 H new ATOM 529 N GLY A 120 2.993 -5.168 2.965 1.00 0.00 N ATOM 530 CA GLY A 120 4.002 -4.255 2.458 1.00 0.00 C ATOM 531 C GLY A 120 4.926 -3.757 3.552 1.00 0.00 C ATOM 532 O GLY A 120 5.121 -4.435 4.561 1.00 0.00 O ATOM 0 H GLY A 120 3.012 -5.306 3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.590 -4.756 1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.514 -3.405 1.982 1.00 0.00 H new ATOM 536 N GLY A 121 5.499 -2.573 3.359 1.00 0.00 N ATOM 537 CA GLY A 121 6.396 -2.022 4.357 1.00 0.00 C ATOM 538 C GLY A 121 6.568 -0.519 4.236 1.00 0.00 C ATOM 539 O GLY A 121 6.429 0.045 3.151 1.00 0.00 O ATOM 0 H GLY A 121 5.359 -1.989 2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.015 -2.260 5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.370 -2.502 4.266 1.00 0.00 H new ATOM 543 N ARG A 122 6.871 0.126 5.358 1.00 0.00 N ATOM 544 CA ARG A 122 7.070 1.566 5.390 1.00 0.00 C ATOM 545 C ARG A 122 8.513 1.921 5.043 1.00 0.00 C ATOM 546 O ARG A 122 9.442 1.194 5.399 1.00 0.00 O ATOM 547 CB ARG A 122 6.726 2.103 6.778 1.00 0.00 C ATOM 548 CG ARG A 122 6.623 3.614 6.833 1.00 0.00 C ATOM 549 CD ARG A 122 6.413 4.106 8.256 1.00 0.00 C ATOM 550 NE ARG A 122 7.495 3.682 9.141 1.00 0.00 N ATOM 551 CZ ARG A 122 7.433 3.754 10.467 1.00 0.00 C ATOM 552 NH1 ARG A 122 6.351 4.242 11.057 1.00 0.00 N ATOM 553 NH2 ARG A 122 8.454 3.340 11.203 1.00 0.00 N ATOM 0 H ARG A 122 6.984 -0.332 6.262 1.00 0.00 H new ATOM 0 HA ARG A 122 6.414 2.023 4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.780 1.670 7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.486 1.773 7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.531 4.057 6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.796 3.947 6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.346 5.194 8.258 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.464 3.728 8.635 1.00 0.00 H new ATOM 0 HE ARG A 122 8.345 3.310 8.718 1.00 0.00 H new ATOM 0 HH11 ARG A 122 5.564 4.563 10.493 1.00 0.00 H new ATOM 0 HH12 ARG A 122 6.306 4.296 12.075 1.00 0.00 H new ATOM 0 HH21 ARG A 122 9.289 2.966 10.752 1.00 0.00 H new ATOM 0 HH22 ARG A 122 8.405 3.396 12.220 1.00 0.00 H new ATOM 567 N VAL A 123 8.697 3.037 4.345 1.00 0.00 N ATOM 568 CA VAL A 123 10.030 3.479 3.954 1.00 0.00 C ATOM 569 C VAL A 123 10.217 4.970 4.212 1.00 0.00 C ATOM 570 O VAL A 123 9.566 5.805 3.584 1.00 0.00 O ATOM 571 CB VAL A 123 10.306 3.191 2.468 1.00 0.00 C ATOM 572 CG1 VAL A 123 11.736 3.565 2.108 1.00 0.00 C ATOM 573 CG2 VAL A 123 10.032 1.730 2.147 1.00 0.00 C ATOM 0 H VAL A 123 7.941 3.650 4.039 1.00 0.00 H new ATOM 0 HA VAL A 123 10.737 2.916 4.564 1.00 0.00 H new ATOM 0 HB VAL A 123 9.633 3.803 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 123 11.913 3.354 1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.893 4.627 2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.428 2.982 2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.233 1.546 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 123 10.678 1.097 2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 123 8.989 1.499 2.364 1.00 0.00 H new ATOM 583 N SER A 124 11.110 5.297 5.139 1.00 0.00 N ATOM 584 CA SER A 124 11.388 6.687 5.478 1.00 0.00 C ATOM 585 C SER A 124 12.576 7.212 4.678 1.00 0.00 C ATOM 586 O SER A 124 13.703 6.746 4.844 1.00 0.00 O ATOM 587 CB SER A 124 11.667 6.823 6.976 1.00 0.00 C ATOM 588 OG SER A 124 11.943 8.169 7.324 1.00 0.00 O ATOM 0 H SER A 124 11.654 4.617 5.670 1.00 0.00 H new ATOM 0 HA SER A 124 10.510 7.281 5.225 1.00 0.00 H new ATOM 0 HB2 SER A 124 10.807 6.467 7.543 1.00 0.00 H new ATOM 0 HB3 SER A 124 12.513 6.193 7.250 1.00 0.00 H new ATOM 0 HG SER A 124 12.116 8.229 8.287 1.00 0.00 H new ATOM 594 N LEU A 125 12.316 8.183 3.809 1.00 0.00 N ATOM 595 CA LEU A 125 13.365 8.768 2.981 1.00 0.00 C ATOM 596 C LEU A 125 13.973 9.998 3.650 1.00 0.00 C ATOM 597 O LEU A 125 15.109 9.961 4.122 1.00 0.00 O ATOM 598 CB LEU A 125 12.807 9.147 1.608 1.00 0.00 C ATOM 599 CG LEU A 125 12.201 7.996 0.812 1.00 0.00 C ATOM 600 CD1 LEU A 125 11.802 8.471 -0.574 1.00 0.00 C ATOM 601 CD2 LEU A 125 13.179 6.834 0.723 1.00 0.00 C ATOM 0 H LEU A 125 11.389 8.581 3.660 1.00 0.00 H new ATOM 0 HA LEU A 125 14.149 8.021 2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.045 9.915 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.608 9.593 1.019 1.00 0.00 H new ATOM 0 HG LEU A 125 11.307 7.647 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 125 11.371 7.641 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.067 9.271 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 125 12.682 8.843 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 125 12.729 6.022 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 125 14.092 7.164 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.418 6.482 1.727 1.00 0.00 H new ATOM 613 N ARG A 126 13.207 11.083 3.687 1.00 0.00 N ATOM 614 CA ARG A 126 13.668 12.325 4.294 1.00 0.00 C ATOM 615 C ARG A 126 12.534 13.029 5.030 1.00 0.00 C ATOM 616 O ARG A 126 11.990 14.019 4.543 1.00 0.00 O ATOM 617 CB ARG A 126 14.246 13.257 3.226 1.00 0.00 C ATOM 618 CG ARG A 126 15.445 12.677 2.493 1.00 0.00 C ATOM 619 CD ARG A 126 15.919 13.600 1.384 1.00 0.00 C ATOM 620 NE ARG A 126 14.897 13.791 0.356 1.00 0.00 N ATOM 621 CZ ARG A 126 15.143 14.321 -0.838 1.00 0.00 C ATOM 622 NH1 ARG A 126 16.372 14.707 -1.155 1.00 0.00 N ATOM 623 NH2 ARG A 126 14.161 14.463 -1.718 1.00 0.00 N ATOM 0 H ARG A 126 12.263 11.127 3.303 1.00 0.00 H new ATOM 0 HA ARG A 126 14.447 12.076 5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.467 13.492 2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.538 14.196 3.696 1.00 0.00 H new ATOM 0 HG2 ARG A 126 16.258 12.508 3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 126 15.181 11.707 2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 126 16.191 14.566 1.808 1.00 0.00 H new ATOM 0 HD3 ARG A 126 16.819 13.187 0.928 1.00 0.00 H new ATOM 0 HE ARG A 126 13.942 13.501 0.567 1.00 0.00 H new ATOM 0 HH11 ARG A 126 17.131 14.597 -0.482 1.00 0.00 H new ATOM 0 HH12 ARG A 126 16.558 15.113 -2.072 1.00 0.00 H new ATOM 0 HH21 ARG A 126 13.215 14.165 -1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.352 14.870 -2.634 1.00 0.00 H new ATOM 637 N SER A 127 12.184 12.506 6.202 1.00 0.00 N ATOM 638 CA SER A 127 11.118 13.075 7.025 1.00 0.00 C ATOM 639 C SER A 127 9.808 13.204 6.250 1.00 0.00 C ATOM 640 O SER A 127 8.932 12.346 6.351 1.00 0.00 O ATOM 641 CB SER A 127 11.537 14.438 7.581 1.00 0.00 C ATOM 642 OG SER A 127 11.799 15.362 6.539 1.00 0.00 O ATOM 0 H SER A 127 12.627 11.681 6.607 1.00 0.00 H new ATOM 0 HA SER A 127 10.948 12.388 7.854 1.00 0.00 H new ATOM 0 HB2 SER A 127 10.749 14.828 8.226 1.00 0.00 H new ATOM 0 HB3 SER A 127 12.427 14.323 8.200 1.00 0.00 H new ATOM 0 HG SER A 127 11.217 16.144 6.641 1.00 0.00 H new ATOM 648 N ASN A 128 9.678 14.278 5.476 1.00 0.00 N ATOM 649 CA ASN A 128 8.466 14.520 4.697 1.00 0.00 C ATOM 650 C ASN A 128 8.479 13.758 3.370 1.00 0.00 C ATOM 651 O ASN A 128 8.245 14.339 2.311 1.00 0.00 O ATOM 652 CB ASN A 128 8.302 16.017 4.433 1.00 0.00 C ATOM 653 CG ASN A 128 9.505 16.614 3.730 1.00 0.00 C ATOM 654 OD1 ASN A 128 10.450 17.071 4.372 1.00 0.00 O ATOM 655 ND2 ASN A 128 9.476 16.610 2.402 1.00 0.00 N ATOM 0 H ASN A 128 10.396 14.995 5.371 1.00 0.00 H new ATOM 0 HA ASN A 128 7.622 14.156 5.282 1.00 0.00 H new ATOM 0 HB2 ASN A 128 7.411 16.181 3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 128 8.143 16.535 5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 128 10.258 16.996 1.874 1.00 0.00 H new ATOM 0 HD22 ASN A 128 8.671 16.220 1.911 1.00 0.00 H new ATOM 662 N LYS A 129 8.753 12.459 3.437 1.00 0.00 N ATOM 663 CA LYS A 129 8.785 11.618 2.249 1.00 0.00 C ATOM 664 C LYS A 129 8.532 10.161 2.617 1.00 0.00 C ATOM 665 O LYS A 129 9.464 9.413 2.915 1.00 0.00 O ATOM 666 CB LYS A 129 10.129 11.748 1.545 1.00 0.00 C ATOM 667 CG LYS A 129 10.197 12.901 0.557 1.00 0.00 C ATOM 668 CD LYS A 129 9.196 12.724 -0.574 1.00 0.00 C ATOM 669 CE LYS A 129 9.341 13.814 -1.623 1.00 0.00 C ATOM 670 NZ LYS A 129 8.371 13.642 -2.739 1.00 0.00 N ATOM 0 H LYS A 129 8.957 11.966 4.306 1.00 0.00 H new ATOM 0 HA LYS A 129 7.997 11.951 1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 129 10.910 11.878 2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.344 10.818 1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 129 9.999 13.839 1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.204 12.971 0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 129 9.340 11.749 -1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 129 8.184 12.738 -0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 129 9.190 14.788 -1.158 1.00 0.00 H new ATOM 0 HE3 LYS A 129 10.356 13.804 -2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 8.502 14.405 -3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.531 12.723 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.401 13.677 -2.365 1.00 0.00 H new ATOM 684 N VAL A 130 7.267 9.764 2.592 1.00 0.00 N ATOM 685 CA VAL A 130 6.888 8.399 2.935 1.00 0.00 C ATOM 686 C VAL A 130 6.402 7.615 1.718 1.00 0.00 C ATOM 687 O VAL A 130 5.559 8.088 0.957 1.00 0.00 O ATOM 688 CB VAL A 130 5.783 8.389 4.008 1.00 0.00 C ATOM 689 CG1 VAL A 130 5.598 6.990 4.575 1.00 0.00 C ATOM 690 CG2 VAL A 130 6.109 9.379 5.112 1.00 0.00 C ATOM 0 H VAL A 130 6.485 10.368 2.338 1.00 0.00 H new ATOM 0 HA VAL A 130 7.785 7.917 3.323 1.00 0.00 H new ATOM 0 HB VAL A 130 4.845 8.691 3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 130 4.813 7.005 5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 130 5.317 6.307 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 130 6.531 6.654 5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 130 5.319 9.360 5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 130 7.057 9.107 5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 130 6.186 10.381 4.691 1.00 0.00 H new ATOM 700 N MET A 131 6.944 6.411 1.545 1.00 0.00 N ATOM 701 CA MET A 131 6.560 5.541 0.437 1.00 0.00 C ATOM 702 C MET A 131 6.503 4.092 0.896 1.00 0.00 C ATOM 703 O MET A 131 7.354 3.636 1.659 1.00 0.00 O ATOM 704 CB MET A 131 7.529 5.679 -0.734 1.00 0.00 C ATOM 705 CG MET A 131 8.986 5.514 -0.344 1.00 0.00 C ATOM 706 SD MET A 131 10.091 5.509 -1.769 1.00 0.00 S ATOM 707 CE MET A 131 9.589 7.019 -2.594 1.00 0.00 C ATOM 0 H MET A 131 7.654 6.015 2.162 1.00 0.00 H new ATOM 0 HA MET A 131 5.570 5.848 0.099 1.00 0.00 H new ATOM 0 HB2 MET A 131 7.278 4.936 -1.491 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.394 6.659 -1.192 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.272 6.322 0.329 1.00 0.00 H new ATOM 0 HG3 MET A 131 9.107 4.582 0.208 1.00 0.00 H new ATOM 0 HE1 MET A 131 10.419 7.403 -3.186 1.00 0.00 H new ATOM 0 HE2 MET A 131 8.742 6.812 -3.248 1.00 0.00 H new ATOM 0 HE3 MET A 131 9.300 7.761 -1.850 1.00 0.00 H new ATOM 717 N TRP A 132 5.495 3.375 0.424 1.00 0.00 N ATOM 718 CA TRP A 132 5.313 1.978 0.798 1.00 0.00 C ATOM 719 C TRP A 132 5.695 1.032 -0.337 1.00 0.00 C ATOM 720 O TRP A 132 5.568 1.369 -1.515 1.00 0.00 O ATOM 721 CB TRP A 132 3.867 1.736 1.231 1.00 0.00 C ATOM 722 CG TRP A 132 3.596 2.188 2.631 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.377 3.468 3.054 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.524 1.361 3.797 1.00 0.00 C ATOM 725 NE1 TRP A 132 3.170 3.485 4.412 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.257 2.204 4.891 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.660 -0.012 4.019 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.122 1.718 6.189 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.526 -0.493 5.308 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.259 0.370 6.378 1.00 0.00 C ATOM 0 H TRP A 132 4.790 3.736 -0.219 1.00 0.00 H new ATOM 0 HA TRP A 132 5.979 1.768 1.635 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.196 2.259 0.549 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.641 0.673 1.147 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.368 4.339 2.415 1.00 0.00 H new ATOM 0 HE1 TRP A 132 2.982 4.316 4.973 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.866 -0.684 3.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 2.917 2.381 7.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.629 -1.552 5.493 1.00 0.00 H new ATOM 0 HH2 TRP A 132 3.159 -0.037 7.373 1.00 0.00 H new ATOM 741 N VAL A 133 6.165 -0.155 0.035 1.00 0.00 N ATOM 742 CA VAL A 133 6.574 -1.168 -0.933 1.00 0.00 C ATOM 743 C VAL A 133 5.983 -2.530 -0.569 1.00 0.00 C ATOM 744 O VAL A 133 6.192 -3.031 0.535 1.00 0.00 O ATOM 745 CB VAL A 133 8.109 -1.274 -1.000 1.00 0.00 C ATOM 746 CG1 VAL A 133 8.542 -2.239 -2.091 1.00 0.00 C ATOM 747 CG2 VAL A 133 8.727 0.092 -1.217 1.00 0.00 C ATOM 0 H VAL A 133 6.273 -0.441 1.008 1.00 0.00 H new ATOM 0 HA VAL A 133 6.198 -0.865 -1.910 1.00 0.00 H new ATOM 0 HB VAL A 133 8.463 -1.665 -0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 133 9.630 -2.295 -2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 133 8.133 -3.228 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 133 8.174 -1.887 -3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 133 9.812 -0.002 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 133 8.360 0.513 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.454 0.750 -0.392 1.00 0.00 H new ATOM 757 N CYS A 134 5.244 -3.126 -1.504 1.00 0.00 N ATOM 758 CA CYS A 134 4.610 -4.423 -1.267 1.00 0.00 C ATOM 759 C CYS A 134 5.638 -5.510 -0.969 1.00 0.00 C ATOM 760 O CYS A 134 6.800 -5.414 -1.362 1.00 0.00 O ATOM 761 CB CYS A 134 3.757 -4.839 -2.467 1.00 0.00 C ATOM 762 SG CYS A 134 4.712 -5.311 -3.947 1.00 0.00 S ATOM 0 H CYS A 134 5.070 -2.734 -2.429 1.00 0.00 H new ATOM 0 HA CYS A 134 3.970 -4.309 -0.392 1.00 0.00 H new ATOM 0 HB2 CYS A 134 3.126 -5.678 -2.175 1.00 0.00 H new ATOM 0 HB3 CYS A 134 3.092 -4.015 -2.727 1.00 0.00 H new ATOM 767 N ASN A 135 5.182 -6.544 -0.268 1.00 0.00 N ATOM 768 CA ASN A 135 6.032 -7.672 0.106 1.00 0.00 C ATOM 769 C ASN A 135 6.702 -8.312 -1.109 1.00 0.00 C ATOM 770 O ASN A 135 7.694 -9.027 -0.971 1.00 0.00 O ATOM 771 CB ASN A 135 5.213 -8.722 0.857 1.00 0.00 C ATOM 772 CG ASN A 135 4.728 -8.225 2.205 1.00 0.00 C ATOM 773 OD1 ASN A 135 5.356 -7.369 2.827 1.00 0.00 O ATOM 774 ND2 ASN A 135 3.604 -8.764 2.663 1.00 0.00 N ATOM 0 H ASN A 135 4.218 -6.625 0.056 1.00 0.00 H new ATOM 0 HA ASN A 135 6.818 -7.286 0.754 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.355 -9.011 0.250 1.00 0.00 H new ATOM 0 HB3 ASN A 135 5.819 -9.617 1.000 1.00 0.00 H new ATOM 0 HD21 ASN A 135 3.228 -8.471 3.565 1.00 0.00 H new ATOM 0 HD22 ASN A 135 3.116 -9.471 2.113 1.00 0.00 H new ATOM 781 N LEU A 136 6.163 -8.052 -2.298 1.00 0.00 N ATOM 782 CA LEU A 136 6.722 -8.616 -3.522 1.00 0.00 C ATOM 783 C LEU A 136 7.920 -7.799 -3.975 1.00 0.00 C ATOM 784 O LEU A 136 8.869 -8.327 -4.554 1.00 0.00 O ATOM 785 CB LEU A 136 5.665 -8.638 -4.627 1.00 0.00 C ATOM 786 CG LEU A 136 4.276 -9.082 -4.178 1.00 0.00 C ATOM 787 CD1 LEU A 136 3.280 -8.946 -5.318 1.00 0.00 C ATOM 788 CD2 LEU A 136 4.315 -10.515 -3.671 1.00 0.00 C ATOM 0 H LEU A 136 5.345 -7.458 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 136 7.043 -9.638 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.590 -7.640 -5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.004 -9.303 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 136 3.953 -8.436 -3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.295 -9.267 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.233 -7.905 -5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.597 -9.568 -6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.316 -10.816 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.657 -11.174 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 136 4.999 -10.583 -2.825 1.00 0.00 H new ATOM 800 N CYS A 137 7.866 -6.503 -3.702 1.00 0.00 N ATOM 801 CA CYS A 137 8.948 -5.598 -4.060 1.00 0.00 C ATOM 802 C CYS A 137 9.971 -5.535 -2.933 1.00 0.00 C ATOM 803 O CYS A 137 11.175 -5.446 -3.173 1.00 0.00 O ATOM 804 CB CYS A 137 8.397 -4.203 -4.351 1.00 0.00 C ATOM 805 SG CYS A 137 7.557 -4.057 -5.958 1.00 0.00 S ATOM 0 H CYS A 137 7.080 -6.054 -3.232 1.00 0.00 H new ATOM 0 HA CYS A 137 9.437 -5.974 -4.959 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.698 -3.928 -3.561 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.217 -3.485 -4.315 1.00 0.00 H new ATOM 810 N ARG A 138 9.475 -5.584 -1.702 1.00 0.00 N ATOM 811 CA ARG A 138 10.333 -5.541 -0.526 1.00 0.00 C ATOM 812 C ARG A 138 11.256 -6.753 -0.490 1.00 0.00 C ATOM 813 O ARG A 138 12.369 -6.685 0.032 1.00 0.00 O ATOM 814 CB ARG A 138 9.479 -5.494 0.743 1.00 0.00 C ATOM 815 CG ARG A 138 10.284 -5.592 2.028 1.00 0.00 C ATOM 816 CD ARG A 138 9.374 -5.604 3.245 1.00 0.00 C ATOM 817 NE ARG A 138 10.120 -5.744 4.491 1.00 0.00 N ATOM 818 CZ ARG A 138 9.567 -6.121 5.639 1.00 0.00 C ATOM 819 NH1 ARG A 138 8.270 -6.397 5.692 1.00 0.00 N ATOM 820 NH2 ARG A 138 10.308 -6.226 6.734 1.00 0.00 N ATOM 0 H ARG A 138 8.479 -5.654 -1.493 1.00 0.00 H new ATOM 0 HA ARG A 138 10.946 -4.641 -0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.909 -4.565 0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.757 -6.310 0.714 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.889 -6.499 2.013 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.973 -4.750 2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 138 8.795 -4.681 3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.662 -6.425 3.156 1.00 0.00 H new ATOM 0 HE ARG A 138 11.120 -5.542 4.480 1.00 0.00 H new ATOM 0 HH11 ARG A 138 7.697 -6.320 4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.846 -6.686 6.573 1.00 0.00 H new ATOM 0 HH21 ARG A 138 11.306 -6.017 6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 138 9.880 -6.516 7.613 1.00 0.00 H new ATOM 834 N LYS A 139 10.783 -7.863 -1.047 1.00 0.00 N ATOM 835 CA LYS A 139 11.563 -9.094 -1.086 1.00 0.00 C ATOM 836 C LYS A 139 12.434 -9.146 -2.335 1.00 0.00 C ATOM 837 O LYS A 139 13.640 -9.381 -2.256 1.00 0.00 O ATOM 838 CB LYS A 139 10.635 -10.310 -1.046 1.00 0.00 C ATOM 839 CG LYS A 139 11.372 -11.637 -1.110 1.00 0.00 C ATOM 840 CD LYS A 139 10.404 -12.809 -1.166 1.00 0.00 C ATOM 841 CE LYS A 139 11.143 -14.135 -1.224 1.00 0.00 C ATOM 842 NZ LYS A 139 11.979 -14.358 -0.011 1.00 0.00 N ATOM 0 H LYS A 139 9.861 -7.935 -1.478 1.00 0.00 H new ATOM 0 HA LYS A 139 12.213 -9.112 -0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 139 10.043 -10.276 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 139 9.936 -10.251 -1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 139 12.017 -11.654 -1.988 1.00 0.00 H new ATOM 0 HG3 LYS A 139 12.018 -11.738 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 139 9.756 -12.790 -0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 139 9.761 -12.710 -2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 139 10.423 -14.948 -1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 139 11.776 -14.159 -2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 12.289 -15.350 0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 12.812 -13.736 -0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 11.420 -14.144 0.840 1.00 0.00 H new ATOM 856 N GLN A 140 11.813 -8.923 -3.489 1.00 0.00 N ATOM 857 CA GLN A 140 12.528 -8.943 -4.760 1.00 0.00 C ATOM 858 C GLN A 140 13.561 -7.823 -4.820 1.00 0.00 C ATOM 859 O GLN A 140 14.642 -7.993 -5.384 1.00 0.00 O ATOM 860 CB GLN A 140 11.545 -8.813 -5.924 1.00 0.00 C ATOM 861 CG GLN A 140 10.623 -10.012 -6.076 1.00 0.00 C ATOM 862 CD GLN A 140 11.378 -11.295 -6.364 1.00 0.00 C ATOM 863 OE1 GLN A 140 11.778 -12.013 -5.447 1.00 0.00 O ATOM 864 NE2 GLN A 140 11.578 -11.589 -7.644 1.00 0.00 N ATOM 0 H GLN A 140 10.815 -8.726 -3.570 1.00 0.00 H new ATOM 0 HA GLN A 140 13.050 -9.897 -4.841 1.00 0.00 H new ATOM 0 HB2 GLN A 140 10.942 -7.917 -5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 140 12.105 -8.676 -6.849 1.00 0.00 H new ATOM 0 HG2 GLN A 140 10.040 -10.135 -5.164 1.00 0.00 H new ATOM 0 HG3 GLN A 140 9.916 -9.822 -6.883 1.00 0.00 H new ATOM 0 HE21 GLN A 140 11.229 -10.965 -8.371 1.00 0.00 H new ATOM 0 HE22 GLN A 140 12.081 -12.439 -7.900 1.00 0.00 H new ATOM 873 N GLN A 141 13.223 -6.679 -4.233 1.00 0.00 N ATOM 874 CA GLN A 141 14.126 -5.534 -4.223 1.00 0.00 C ATOM 875 C GLN A 141 14.927 -5.482 -2.923 1.00 0.00 C ATOM 876 O GLN A 141 15.443 -4.432 -2.542 1.00 0.00 O ATOM 877 CB GLN A 141 13.339 -4.235 -4.405 1.00 0.00 C ATOM 878 CG GLN A 141 14.213 -3.037 -4.737 1.00 0.00 C ATOM 879 CD GLN A 141 15.068 -3.266 -5.968 1.00 0.00 C ATOM 880 OE1 GLN A 141 16.197 -3.746 -5.874 1.00 0.00 O ATOM 881 NE2 GLN A 141 14.531 -2.922 -7.133 1.00 0.00 N ATOM 0 H GLN A 141 12.333 -6.521 -3.760 1.00 0.00 H new ATOM 0 HA GLN A 141 14.824 -5.646 -5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 141 12.607 -4.372 -5.201 1.00 0.00 H new ATOM 0 HB3 GLN A 141 12.782 -4.026 -3.492 1.00 0.00 H new ATOM 0 HG2 GLN A 141 13.581 -2.163 -4.895 1.00 0.00 H new ATOM 0 HG3 GLN A 141 14.858 -2.815 -3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 141 13.591 -2.527 -7.165 1.00 0.00 H new ATOM 0 HE22 GLN A 141 15.059 -3.053 -7.996 1.00 0.00 H new ATOM 890 N GLU A 142 15.031 -6.623 -2.244 1.00 0.00 N ATOM 891 CA GLU A 142 15.772 -6.701 -0.989 1.00 0.00 C ATOM 892 C GLU A 142 17.145 -6.045 -1.120 1.00 0.00 C ATOM 893 O GLU A 142 18.109 -6.752 -1.481 1.00 0.00 O ATOM 894 CB GLU A 142 15.925 -8.160 -0.557 1.00 0.00 C ATOM 895 CG GLU A 142 16.431 -9.076 -1.661 1.00 0.00 C ATOM 896 CD GLU A 142 16.465 -10.532 -1.239 1.00 0.00 C ATOM 897 OE1 GLU A 142 17.457 -10.940 -0.597 1.00 0.00 O ATOM 898 OE2 GLU A 142 15.503 -11.263 -1.549 1.00 0.00 O ATOM 899 OXT GLU A 142 17.245 -4.827 -0.860 1.00 0.00 O ATOM 0 H GLU A 142 14.612 -7.504 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 142 15.208 -6.161 -0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 142 16.613 -8.209 0.287 1.00 0.00 H new ATOM 0 HB3 GLU A 142 14.961 -8.528 -0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 142 15.792 -8.970 -2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 142 17.432 -8.764 -1.957 1.00 0.00 H new TER 906 GLU A 142 HETATM 907 ZN ZN A 292 -3.406 -6.942 2.477 1.00 0.00 ZN HETATM 908 ZN ZN A 308 5.142 -3.287 -5.498 1.00 0.00 ZN