USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=19 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 98:sc= 1.25 USER MOD Set 1.2: A 128 ASN : amide:sc= 0.337 K(o=1.6,f=-6.6!) USER MOD Set 2.1: A 110 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 141 GLN : amide:sc= 0 X(o=0,f=0.1) USER MOD Set 3.1: A 109 SER OG : rot -21:sc= -0.065 USER MOD Set 3.2: A 131 MET CE :methyl -121:sc= -0.637 (180deg=-1.89) USER MOD Set 4.1: A 104 CYS SG : rot 12:sc= 0.25 USER MOD Set 4.2: A 107 ASN :FLIP amide:sc= 0.421 F(o=-5.3,f=0.67) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.122) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot 180:sc=-0.00483 USER MOD Single : A 96 HIS :FLIP no HD1:sc= -3.48! C(o=-4.4!,f=-3.5!) USER MOD Single : A 97 LYS NZ :NH3+ 167:sc= -0.0255 (180deg=-0.271) USER MOD Single : A 98 THR OG1 : rot -160:sc= 0.136 USER MOD Single : A 99 LYS NZ :NH3+ 166:sc= -0.032 (180deg=-0.362) USER MOD Single : A 106 HIS :FLIP no HE2:sc= -3.59 F(o=-6.1!,f=-3.6) USER MOD Single : A 108 CYS SG : rot 160:sc=-0.00485 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.562 F(o=-1.2,f=-0.56) 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 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.8!) USER MOD Single : A 139 LYS NZ :NH3+ -165:sc= -0.0439 (180deg=-0.289) USER MOD Single : A 140 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 83 -23.357 -0.611 6.691 1.00 0.00 N ATOM 2 CA GLN A 83 -24.150 -1.284 5.628 1.00 0.00 C ATOM 3 C GLN A 83 -23.957 -0.587 4.286 1.00 0.00 C ATOM 4 O GLN A 83 -23.412 -1.166 3.346 1.00 0.00 O ATOM 5 CB GLN A 83 -25.634 -1.287 6.001 1.00 0.00 C ATOM 6 CG GLN A 83 -25.935 -2.016 7.299 1.00 0.00 C ATOM 7 CD GLN A 83 -27.406 -1.976 7.662 1.00 0.00 C ATOM 8 OE1 GLN A 83 -27.861 -1.069 8.359 1.00 0.00 O ATOM 9 NE2 GLN A 83 -28.161 -2.960 7.188 1.00 0.00 N ATOM 0 HA GLN A 83 -23.799 -2.312 5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -25.981 -0.257 6.084 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -26.202 -1.750 5.194 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -25.614 -3.054 7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -25.353 -1.570 8.105 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -27.743 -3.692 6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -29.159 -2.984 7.398 1.00 0.00 H new ATOM 18 N GLU A 84 -24.410 0.659 4.203 1.00 0.00 N ATOM 19 CA GLU A 84 -24.290 1.437 2.976 1.00 0.00 C ATOM 20 C GLU A 84 -24.332 2.932 3.273 1.00 0.00 C ATOM 21 O GLU A 84 -25.256 3.420 3.923 1.00 0.00 O ATOM 22 CB GLU A 84 -25.408 1.067 2.001 1.00 0.00 C ATOM 23 CG GLU A 84 -25.407 1.898 0.727 1.00 0.00 C ATOM 24 CD GLU A 84 -26.511 1.496 -0.232 1.00 0.00 C ATOM 25 OE1 GLU A 84 -26.287 0.572 -1.042 1.00 0.00 O ATOM 26 OE2 GLU A 84 -27.599 2.107 -0.174 1.00 0.00 O ATOM 0 H GLU A 84 -24.864 1.152 4.972 1.00 0.00 H new ATOM 0 HA GLU A 84 -23.328 1.203 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -25.314 0.014 1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -26.369 1.186 2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -25.520 2.951 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -24.443 1.793 0.230 1.00 0.00 H new ATOM 33 N GLN A 85 -23.324 3.654 2.796 1.00 0.00 N ATOM 34 CA GLN A 85 -23.248 5.094 3.009 1.00 0.00 C ATOM 35 C GLN A 85 -22.428 5.768 1.912 1.00 0.00 C ATOM 36 O GLN A 85 -22.984 6.378 0.999 1.00 0.00 O ATOM 37 CB GLN A 85 -22.644 5.397 4.383 1.00 0.00 C ATOM 38 CG GLN A 85 -22.500 6.882 4.673 1.00 0.00 C ATOM 39 CD GLN A 85 -22.041 7.155 6.092 1.00 0.00 C ATOM 40 OE1 GLN A 85 -22.856 7.324 6.998 1.00 0.00 O ATOM 41 NE2 GLN A 85 -20.728 7.196 6.292 1.00 0.00 N ATOM 0 H GLN A 85 -22.548 3.265 2.259 1.00 0.00 H new ATOM 0 HA GLN A 85 -24.261 5.495 2.971 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -23.269 4.944 5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -21.663 4.926 4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -21.787 7.318 3.974 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -23.456 7.377 4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -20.088 7.050 5.511 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -20.360 7.373 7.227 1.00 0.00 H new ATOM 50 N LYS A 86 -21.107 5.653 2.004 1.00 0.00 N ATOM 51 CA LYS A 86 -20.221 6.254 1.012 1.00 0.00 C ATOM 52 C LYS A 86 -20.124 5.378 -0.235 1.00 0.00 C ATOM 53 O LYS A 86 -20.711 4.298 -0.294 1.00 0.00 O ATOM 54 CB LYS A 86 -18.825 6.498 1.605 1.00 0.00 C ATOM 55 CG LYS A 86 -17.937 5.261 1.668 1.00 0.00 C ATOM 56 CD LYS A 86 -18.497 4.208 2.610 1.00 0.00 C ATOM 57 CE LYS A 86 -17.524 3.054 2.791 1.00 0.00 C ATOM 58 NZ LYS A 86 -18.066 2.010 3.705 1.00 0.00 N ATOM 0 H LYS A 86 -20.628 5.152 2.752 1.00 0.00 H new ATOM 0 HA LYS A 86 -20.646 7.215 0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -18.321 7.261 1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.938 6.900 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.834 4.837 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.938 5.548 1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.712 4.661 3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.442 3.832 2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.304 2.609 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.582 3.432 3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.291 1.398 4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -18.516 2.466 4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -18.770 1.436 3.198 1.00 0.00 H new ATOM 72 N GLY A 87 -19.378 5.851 -1.227 1.00 0.00 N ATOM 73 CA GLY A 87 -19.218 5.099 -2.458 1.00 0.00 C ATOM 74 C GLY A 87 -18.674 3.704 -2.221 1.00 0.00 C ATOM 75 O GLY A 87 -19.423 2.788 -1.881 1.00 0.00 O ATOM 0 H GLY A 87 -18.881 6.741 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -20.181 5.029 -2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.546 5.639 -3.125 1.00 0.00 H new ATOM 79 N ASP A 88 -17.367 3.543 -2.401 1.00 0.00 N ATOM 80 CA ASP A 88 -16.723 2.251 -2.204 1.00 0.00 C ATOM 81 C ASP A 88 -15.572 2.361 -1.210 1.00 0.00 C ATOM 82 O ASP A 88 -14.693 3.211 -1.354 1.00 0.00 O ATOM 83 CB ASP A 88 -16.207 1.705 -3.538 1.00 0.00 C ATOM 84 CG ASP A 88 -15.488 0.380 -3.380 1.00 0.00 C ATOM 85 OD1 ASP A 88 -16.161 -0.671 -3.415 1.00 0.00 O ATOM 86 OD2 ASP A 88 -14.248 0.393 -3.219 1.00 0.00 O ATOM 0 H ASP A 88 -16.734 4.291 -2.683 1.00 0.00 H new ATOM 0 HA ASP A 88 -17.465 1.563 -1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.044 1.582 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.530 2.431 -3.987 1.00 0.00 H new ATOM 91 N ALA A 89 -15.584 1.497 -0.200 1.00 0.00 N ATOM 92 CA ALA A 89 -14.541 1.496 0.816 1.00 0.00 C ATOM 93 C ALA A 89 -13.218 1.003 0.240 1.00 0.00 C ATOM 94 O ALA A 89 -13.189 0.380 -0.822 1.00 0.00 O ATOM 95 CB ALA A 89 -14.960 0.633 1.997 1.00 0.00 C ATOM 0 H ALA A 89 -16.305 0.789 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.398 2.520 1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.172 0.640 2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.879 1.029 2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -15.130 -0.389 1.659 1.00 0.00 H new ATOM 101 N PRO A 90 -12.103 1.275 0.937 1.00 0.00 N ATOM 102 CA PRO A 90 -10.775 0.866 0.502 1.00 0.00 C ATOM 103 C PRO A 90 -10.467 -0.569 0.907 1.00 0.00 C ATOM 104 O PRO A 90 -10.752 -0.975 2.033 1.00 0.00 O ATOM 105 CB PRO A 90 -9.838 1.835 1.232 1.00 0.00 C ATOM 106 CG PRO A 90 -10.701 2.662 2.141 1.00 0.00 C ATOM 107 CD PRO A 90 -12.040 1.983 2.214 1.00 0.00 C ATOM 0 HA PRO A 90 -10.672 0.897 -0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.085 1.291 1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.305 2.468 0.522 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.254 2.740 3.132 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.804 3.677 1.757 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.103 1.300 3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.854 2.700 2.321 1.00 0.00 H new ATOM 115 N THR A 91 -9.869 -1.329 -0.003 1.00 0.00 N ATOM 116 CA THR A 91 -9.549 -2.722 0.279 1.00 0.00 C ATOM 117 C THR A 91 -8.164 -3.111 -0.213 1.00 0.00 C ATOM 118 O THR A 91 -7.678 -2.610 -1.227 1.00 0.00 O ATOM 119 CB THR A 91 -10.581 -3.677 -0.347 1.00 0.00 C ATOM 120 OG1 THR A 91 -10.956 -3.213 -1.650 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.812 -3.788 0.537 1.00 0.00 C ATOM 0 H THR A 91 -9.599 -1.008 -0.933 1.00 0.00 H new ATOM 0 HA THR A 91 -9.573 -2.816 1.365 1.00 0.00 H new ATOM 0 HB THR A 91 -10.127 -4.664 -0.437 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.611 -3.828 -2.040 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.530 -4.467 0.077 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.524 -4.172 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.267 -2.804 0.653 1.00 0.00 H new ATOM 129 N CYS A 92 -7.541 -4.017 0.527 1.00 0.00 N ATOM 130 CA CYS A 92 -6.218 -4.519 0.198 1.00 0.00 C ATOM 131 C CYS A 92 -6.261 -5.357 -1.079 1.00 0.00 C ATOM 132 O CYS A 92 -7.157 -6.184 -1.258 1.00 0.00 O ATOM 133 CB CYS A 92 -5.701 -5.357 1.367 1.00 0.00 C ATOM 134 SG CYS A 92 -4.076 -6.097 1.114 1.00 0.00 S ATOM 0 H CYS A 92 -7.940 -4.424 1.373 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.546 -3.679 0.024 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.663 -4.728 2.256 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.418 -6.152 1.570 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.742 -6.780 2.168 1.00 0.00 H new ATOM 139 N GLY A 93 -5.280 -5.153 -1.959 1.00 0.00 N ATOM 140 CA GLY A 93 -5.233 -5.891 -3.213 1.00 0.00 C ATOM 141 C GLY A 93 -4.568 -7.253 -3.085 1.00 0.00 C ATOM 142 O GLY A 93 -4.182 -7.857 -4.086 1.00 0.00 O ATOM 0 H GLY A 93 -4.517 -4.490 -1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.248 -6.024 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.695 -5.300 -3.954 1.00 0.00 H new ATOM 146 N ILE A 94 -4.435 -7.735 -1.855 1.00 0.00 N ATOM 147 CA ILE A 94 -3.819 -9.025 -1.592 1.00 0.00 C ATOM 148 C ILE A 94 -4.764 -9.918 -0.793 1.00 0.00 C ATOM 149 O ILE A 94 -5.295 -10.899 -1.315 1.00 0.00 O ATOM 150 CB ILE A 94 -2.492 -8.864 -0.820 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.502 -8.032 -1.631 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.890 -10.223 -0.492 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.710 -6.538 -1.504 1.00 0.00 C ATOM 0 H ILE A 94 -4.750 -7.244 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.609 -9.490 -2.555 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.703 -8.346 0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.489 -8.277 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.581 -8.312 -2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.956 -10.085 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.588 -10.791 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.695 -10.767 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.969 -6.015 -2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.710 -6.279 -1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.601 -6.243 -0.460 1.00 0.00 H new ATOM 165 N CYS A 95 -4.972 -9.570 0.473 1.00 0.00 N ATOM 166 CA CYS A 95 -5.858 -10.341 1.339 1.00 0.00 C ATOM 167 C CYS A 95 -7.301 -9.831 1.277 1.00 0.00 C ATOM 168 O CYS A 95 -8.206 -10.453 1.831 1.00 0.00 O ATOM 169 CB CYS A 95 -5.348 -10.329 2.785 1.00 0.00 C ATOM 170 SG CYS A 95 -4.885 -8.683 3.414 1.00 0.00 S ATOM 0 H CYS A 95 -4.541 -8.762 0.921 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.855 -11.368 0.974 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.120 -10.746 3.432 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.482 -10.987 2.856 1.00 0.00 H new ATOM 175 N HIS A 96 -7.508 -8.693 0.606 1.00 0.00 N ATOM 176 CA HIS A 96 -8.839 -8.111 0.460 1.00 0.00 C ATOM 177 C HIS A 96 -9.608 -8.108 1.777 1.00 0.00 C ATOM 178 O HIS A 96 -10.837 -8.175 1.785 1.00 0.00 O ATOM 179 CB HIS A 96 -9.631 -8.868 -0.608 1.00 0.00 C ATOM 180 CG HIS A 96 -9.632 -10.353 -0.415 1.00 0.00 C ATOM 181 ND1 HIS A 96 -8.750 -11.299 -0.816 1.00 0.00 N flip ATOM 182 CD2 HIS A 96 -10.628 -11.024 0.264 1.00 0.00 C flip ATOM 183 CE1 HIS A 96 -9.224 -12.510 -0.375 1.00 0.00 C flip ATOM 184 NE2 HIS A 96 -10.356 -12.317 0.274 1.00 0.00 N flip ATOM 0 H HIS A 96 -6.766 -8.158 0.155 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.711 -7.074 0.151 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.660 -8.509 -0.607 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -9.214 -8.638 -1.589 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -11.494 -10.564 0.716 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -8.747 -13.466 -0.534 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.925 -13.043 0.710 1.00 0.00 H new ATOM 193 N LYS A 97 -8.884 -8.021 2.887 1.00 0.00 N ATOM 194 CA LYS A 97 -9.512 -7.998 4.204 1.00 0.00 C ATOM 195 C LYS A 97 -9.352 -6.628 4.855 1.00 0.00 C ATOM 196 O LYS A 97 -10.336 -5.951 5.151 1.00 0.00 O ATOM 197 CB LYS A 97 -8.910 -9.076 5.108 1.00 0.00 C ATOM 198 CG LYS A 97 -9.398 -10.482 4.796 1.00 0.00 C ATOM 199 CD LYS A 97 -8.843 -11.495 5.783 1.00 0.00 C ATOM 200 CE LYS A 97 -9.302 -11.201 7.202 1.00 0.00 C ATOM 201 NZ LYS A 97 -10.786 -11.217 7.320 1.00 0.00 N ATOM 0 H LYS A 97 -7.866 -7.965 2.902 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.575 -8.202 4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.824 -9.050 5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.147 -8.841 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.487 -10.505 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.099 -10.756 3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.163 -12.497 5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.754 -11.485 5.743 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.876 -11.939 7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.924 -10.227 7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.054 -11.233 8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.179 -10.366 6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.163 -12.064 6.848 1.00 0.00 H new ATOM 215 N THR A 98 -8.105 -6.228 5.075 1.00 0.00 N ATOM 216 CA THR A 98 -7.809 -4.943 5.692 1.00 0.00 C ATOM 217 C THR A 98 -8.293 -3.786 4.821 1.00 0.00 C ATOM 218 O THR A 98 -7.819 -3.600 3.700 1.00 0.00 O ATOM 219 CB THR A 98 -6.295 -4.793 5.952 1.00 0.00 C ATOM 220 OG1 THR A 98 -5.855 -5.799 6.873 1.00 0.00 O ATOM 221 CG2 THR A 98 -5.963 -3.417 6.510 1.00 0.00 C ATOM 0 H THR A 98 -7.281 -6.778 4.834 1.00 0.00 H new ATOM 0 HA THR A 98 -8.340 -4.911 6.644 1.00 0.00 H new ATOM 0 HB THR A 98 -5.779 -4.912 4.999 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.005 -5.524 7.276 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.889 -3.344 6.682 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.269 -2.652 5.797 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.492 -3.269 7.451 1.00 0.00 H new ATOM 229 N LYS A 99 -9.240 -3.011 5.344 1.00 0.00 N ATOM 230 CA LYS A 99 -9.775 -1.866 4.624 1.00 0.00 C ATOM 231 C LYS A 99 -9.043 -0.598 5.044 1.00 0.00 C ATOM 232 O LYS A 99 -8.979 -0.268 6.228 1.00 0.00 O ATOM 233 CB LYS A 99 -11.273 -1.722 4.891 1.00 0.00 C ATOM 234 CG LYS A 99 -12.090 -2.903 4.397 1.00 0.00 C ATOM 235 CD LYS A 99 -13.541 -2.801 4.838 1.00 0.00 C ATOM 236 CE LYS A 99 -14.353 -3.996 4.368 1.00 0.00 C ATOM 237 NZ LYS A 99 -13.795 -5.281 4.872 1.00 0.00 N ATOM 0 H LYS A 99 -9.651 -3.158 6.266 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.626 -2.024 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.434 -1.601 5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.635 -0.813 4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.042 -2.950 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.658 -3.829 4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.588 -2.733 5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.979 -1.884 4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.384 -3.890 4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.376 -4.013 3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.493 -6.040 4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.927 -5.511 4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.575 -5.191 5.884 1.00 0.00 H new ATOM 251 N PHE A 100 -8.491 0.110 4.067 1.00 0.00 N ATOM 252 CA PHE A 100 -7.745 1.333 4.343 1.00 0.00 C ATOM 253 C PHE A 100 -8.627 2.391 4.989 1.00 0.00 C ATOM 254 O PHE A 100 -9.820 2.180 5.206 1.00 0.00 O ATOM 255 CB PHE A 100 -7.135 1.907 3.065 1.00 0.00 C ATOM 256 CG PHE A 100 -6.588 0.874 2.122 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.753 -0.134 2.579 1.00 0.00 C ATOM 258 CD2 PHE A 100 -6.898 0.920 0.773 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.241 -1.076 1.706 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.391 -0.018 -0.104 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.561 -1.017 0.363 1.00 0.00 C ATOM 0 H PHE A 100 -8.545 -0.140 3.079 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.947 1.065 5.036 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.894 2.491 2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.334 2.595 3.336 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.500 -0.184 3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.545 1.701 0.402 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.592 -1.857 2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.643 0.030 -1.153 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.162 -1.752 -0.321 1.00 0.00 H new ATOM 271 N ALA A 101 -8.022 3.535 5.286 1.00 0.00 N ATOM 272 CA ALA A 101 -8.730 4.647 5.900 1.00 0.00 C ATOM 273 C ALA A 101 -8.467 5.937 5.132 1.00 0.00 C ATOM 274 O ALA A 101 -7.464 6.055 4.428 1.00 0.00 O ATOM 275 CB ALA A 101 -8.313 4.801 7.354 1.00 0.00 C ATOM 0 H ALA A 101 -7.034 3.715 5.109 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.799 4.437 5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.851 5.637 7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.548 3.886 7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.241 4.990 7.407 1.00 0.00 H new ATOM 281 N ASP A 102 -9.375 6.896 5.267 1.00 0.00 N ATOM 282 CA ASP A 102 -9.245 8.181 4.586 1.00 0.00 C ATOM 283 C ASP A 102 -9.440 8.043 3.074 1.00 0.00 C ATOM 284 O ASP A 102 -9.240 9.005 2.332 1.00 0.00 O ATOM 285 CB ASP A 102 -7.881 8.809 4.880 1.00 0.00 C ATOM 286 CG ASP A 102 -7.751 10.204 4.299 1.00 0.00 C ATOM 287 OD1 ASP A 102 -8.102 11.175 5.002 1.00 0.00 O ATOM 288 OD2 ASP A 102 -7.299 10.326 3.141 1.00 0.00 O ATOM 0 H ASP A 102 -10.212 6.809 5.843 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.030 8.832 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -7.728 8.852 5.958 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.095 8.173 4.472 1.00 0.00 H new ATOM 293 N GLY A 103 -9.826 6.852 2.615 1.00 0.00 N ATOM 294 CA GLY A 103 -10.044 6.648 1.195 1.00 0.00 C ATOM 295 C GLY A 103 -8.989 5.771 0.541 1.00 0.00 C ATOM 296 O GLY A 103 -9.303 4.981 -0.348 1.00 0.00 O ATOM 0 H GLY A 103 -9.990 6.032 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.024 6.195 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -10.061 7.616 0.695 1.00 0.00 H new ATOM 300 N CYS A 104 -7.738 5.904 0.975 1.00 0.00 N ATOM 301 CA CYS A 104 -6.649 5.117 0.400 1.00 0.00 C ATOM 302 C CYS A 104 -5.645 4.689 1.468 1.00 0.00 C ATOM 303 O CYS A 104 -5.320 5.458 2.373 1.00 0.00 O ATOM 304 CB CYS A 104 -5.940 5.926 -0.687 1.00 0.00 C ATOM 305 SG CYS A 104 -4.537 5.076 -1.447 1.00 0.00 S ATOM 0 H CYS A 104 -7.454 6.544 1.717 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.079 4.216 -0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -6.661 6.180 -1.464 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -5.592 6.865 -0.257 1.00 0.00 H new ATOM 0 HG CYS A 104 -4.546 3.824 -1.096 1.00 0.00 H new ATOM 311 N GLY A 105 -5.158 3.455 1.352 1.00 0.00 N ATOM 312 CA GLY A 105 -4.194 2.943 2.312 1.00 0.00 C ATOM 313 C GLY A 105 -2.762 3.024 1.823 1.00 0.00 C ATOM 314 O GLY A 105 -2.310 4.077 1.372 1.00 0.00 O ATOM 0 H GLY A 105 -5.413 2.802 0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.285 3.503 3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.435 1.905 2.540 1.00 0.00 H new ATOM 318 N HIS A 106 -2.047 1.906 1.912 1.00 0.00 N ATOM 319 CA HIS A 106 -0.654 1.852 1.487 1.00 0.00 C ATOM 320 C HIS A 106 -0.541 1.270 0.085 1.00 0.00 C ATOM 321 O HIS A 106 -0.905 0.118 -0.152 1.00 0.00 O ATOM 322 CB HIS A 106 0.163 1.017 2.472 1.00 0.00 C ATOM 323 CG HIS A 106 -0.161 1.317 3.903 1.00 0.00 C ATOM 324 ND1 HIS A 106 0.077 2.419 4.652 1.00 0.00 N flip ATOM 325 CD2 HIS A 106 -0.817 0.430 4.730 1.00 0.00 C flip ATOM 326 CE1 HIS A 106 -0.438 2.181 5.902 1.00 0.00 C flip ATOM 327 NE2 HIS A 106 -0.972 0.975 5.923 1.00 0.00 N flip ATOM 0 H HIS A 106 -2.411 1.025 2.275 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.259 2.868 1.470 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.016 -0.041 2.279 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.224 1.197 2.300 1.00 0.00 H new ATOM 0 HD1 HIS A 106 0.551 3.268 4.345 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.152 -0.557 4.446 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -0.410 2.870 6.734 1.00 0.00 H new ATOM 336 N ASN A 107 -0.033 2.075 -0.841 1.00 0.00 N ATOM 337 CA ASN A 107 0.119 1.644 -2.224 1.00 0.00 C ATOM 338 C ASN A 107 1.591 1.451 -2.575 1.00 0.00 C ATOM 339 O ASN A 107 2.440 2.261 -2.205 1.00 0.00 O ATOM 340 CB ASN A 107 -0.519 2.669 -3.165 1.00 0.00 C ATOM 341 CG ASN A 107 -1.851 3.198 -2.652 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.564 2.390 -1.869 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -2.234 4.328 -2.955 1.00 0.00 N flip ATOM 0 H ASN A 107 0.280 3.029 -0.659 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.388 0.686 -2.343 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.168 3.504 -3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.668 2.213 -4.144 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.659 4.917 -3.557 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.126 4.675 -2.604 1.00 0.00 H new ATOM 350 N CYS A 108 1.886 0.372 -3.295 1.00 0.00 N ATOM 351 CA CYS A 108 3.257 0.070 -3.695 1.00 0.00 C ATOM 352 C CYS A 108 3.874 1.240 -4.450 1.00 0.00 C ATOM 353 O CYS A 108 3.316 1.719 -5.437 1.00 0.00 O ATOM 354 CB CYS A 108 3.297 -1.181 -4.576 1.00 0.00 C ATOM 355 SG CYS A 108 4.967 -1.789 -4.908 1.00 0.00 S ATOM 0 H CYS A 108 1.195 -0.307 -3.613 1.00 0.00 H new ATOM 0 HA CYS A 108 3.835 -0.109 -2.788 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.722 -1.972 -4.094 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.805 -0.962 -5.524 1.00 0.00 H new ATOM 0 HG CYS A 108 4.910 -3.035 -5.273 1.00 0.00 H new ATOM 360 N SER A 109 5.032 1.691 -3.985 1.00 0.00 N ATOM 361 CA SER A 109 5.730 2.803 -4.618 1.00 0.00 C ATOM 362 C SER A 109 6.042 2.500 -6.083 1.00 0.00 C ATOM 363 O SER A 109 6.320 3.409 -6.865 1.00 0.00 O ATOM 364 CB SER A 109 7.025 3.113 -3.865 1.00 0.00 C ATOM 365 OG SER A 109 7.711 4.203 -4.456 1.00 0.00 O ATOM 0 H SER A 109 5.508 1.303 -3.171 1.00 0.00 H new ATOM 0 HA SER A 109 5.074 3.673 -4.581 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.798 3.344 -2.824 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.668 2.233 -3.863 1.00 0.00 H new ATOM 0 HG SER A 109 7.408 4.317 -5.381 1.00 0.00 H new ATOM 371 N TYR A 110 6.000 1.221 -6.450 1.00 0.00 N ATOM 372 CA TYR A 110 6.286 0.812 -7.821 1.00 0.00 C ATOM 373 C TYR A 110 5.028 0.297 -8.520 1.00 0.00 C ATOM 374 O TYR A 110 4.468 0.969 -9.385 1.00 0.00 O ATOM 375 CB TYR A 110 7.370 -0.267 -7.833 1.00 0.00 C ATOM 376 CG TYR A 110 8.663 0.165 -7.177 1.00 0.00 C ATOM 377 CD1 TYR A 110 9.669 0.777 -7.915 1.00 0.00 C ATOM 378 CD2 TYR A 110 8.880 -0.041 -5.818 1.00 0.00 C ATOM 379 CE1 TYR A 110 10.853 1.171 -7.320 1.00 0.00 C ATOM 380 CE2 TYR A 110 10.062 0.350 -5.216 1.00 0.00 C ATOM 381 CZ TYR A 110 11.044 0.955 -5.972 1.00 0.00 C ATOM 382 OH TYR A 110 12.222 1.347 -5.376 1.00 0.00 O ATOM 0 H TYR A 110 5.771 0.453 -5.819 1.00 0.00 H new ATOM 0 HA TYR A 110 6.642 1.686 -8.366 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.993 -1.154 -7.324 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.574 -0.554 -8.865 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.523 0.948 -8.971 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.112 -0.514 -5.223 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.624 1.646 -7.908 1.00 0.00 H new ATOM 0 HE2 TYR A 110 10.215 0.183 -4.160 1.00 0.00 H new ATOM 0 HH TYR A 110 12.111 1.348 -4.402 1.00 0.00 H new ATOM 392 N CYS A 111 4.596 -0.904 -8.146 1.00 0.00 N ATOM 393 CA CYS A 111 3.407 -1.515 -8.734 1.00 0.00 C ATOM 394 C CYS A 111 2.187 -0.612 -8.585 1.00 0.00 C ATOM 395 O CYS A 111 1.232 -0.716 -9.355 1.00 0.00 O ATOM 396 CB CYS A 111 3.121 -2.863 -8.067 1.00 0.00 C ATOM 397 SG CYS A 111 4.586 -3.925 -7.861 1.00 0.00 S ATOM 0 H CYS A 111 5.053 -1.476 -7.436 1.00 0.00 H new ATOM 0 HA CYS A 111 3.603 -1.662 -9.796 1.00 0.00 H new ATOM 0 HB2 CYS A 111 2.677 -2.683 -7.088 1.00 0.00 H new ATOM 0 HB3 CYS A 111 2.380 -3.398 -8.660 1.00 0.00 H new ATOM 402 N GLN A 112 2.223 0.264 -7.582 1.00 0.00 N ATOM 403 CA GLN A 112 1.119 1.183 -7.310 1.00 0.00 C ATOM 404 C GLN A 112 -0.114 0.446 -6.783 1.00 0.00 C ATOM 405 O GLN A 112 -1.169 1.053 -6.596 1.00 0.00 O ATOM 406 CB GLN A 112 0.753 1.984 -8.564 1.00 0.00 C ATOM 407 CG GLN A 112 1.871 2.884 -9.062 1.00 0.00 C ATOM 408 CD GLN A 112 2.269 3.938 -8.045 1.00 0.00 C ATOM 409 OE1 GLN A 112 3.229 3.604 -7.191 1.00 0.00 O flip ATOM 410 NE2 GLN A 112 1.721 5.039 -8.029 1.00 0.00 N flip ATOM 0 H GLN A 112 3.011 0.357 -6.940 1.00 0.00 H new ATOM 0 HA GLN A 112 1.458 1.872 -6.536 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.475 1.291 -9.358 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.125 2.594 -8.351 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.741 2.275 -9.308 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.555 3.374 -9.983 1.00 0.00 H new ATOM 0 HE21 GLN A 112 0.987 5.253 -8.704 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.000 5.738 -7.340 1.00 0.00 H new ATOM 419 N THR A 113 0.015 -0.860 -6.538 1.00 0.00 N ATOM 420 CA THR A 113 -1.098 -1.650 -6.033 1.00 0.00 C ATOM 421 C THR A 113 -1.463 -1.229 -4.616 1.00 0.00 C ATOM 422 O THR A 113 -0.589 -0.898 -3.814 1.00 0.00 O ATOM 423 CB THR A 113 -0.777 -3.156 -6.040 1.00 0.00 C ATOM 424 OG1 THR A 113 -0.366 -3.565 -7.351 1.00 0.00 O ATOM 425 CG2 THR A 113 -1.992 -3.967 -5.610 1.00 0.00 C ATOM 0 H THR A 113 0.877 -1.386 -6.682 1.00 0.00 H new ATOM 0 HA THR A 113 -1.941 -1.468 -6.699 1.00 0.00 H new ATOM 0 HB THR A 113 0.033 -3.336 -5.333 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.162 -4.524 -7.346 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.744 -5.028 -5.622 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.287 -3.674 -4.602 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.817 -3.780 -6.298 1.00 0.00 H new ATOM 433 N LYS A 114 -2.754 -1.245 -4.310 1.00 0.00 N ATOM 434 CA LYS A 114 -3.220 -0.864 -2.985 1.00 0.00 C ATOM 435 C LYS A 114 -3.163 -2.050 -2.033 1.00 0.00 C ATOM 436 O LYS A 114 -3.889 -3.030 -2.198 1.00 0.00 O ATOM 437 CB LYS A 114 -4.643 -0.312 -3.057 1.00 0.00 C ATOM 438 CG LYS A 114 -4.791 0.857 -4.018 1.00 0.00 C ATOM 439 CD LYS A 114 -6.229 1.340 -4.100 1.00 0.00 C ATOM 440 CE LYS A 114 -6.350 2.569 -4.988 1.00 0.00 C ATOM 441 NZ LYS A 114 -7.758 3.033 -5.111 1.00 0.00 N ATOM 0 H LYS A 114 -3.493 -1.516 -4.958 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.561 -0.084 -2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.319 -1.111 -3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.952 0.005 -2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.150 1.677 -3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.451 0.558 -5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.861 0.543 -4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.594 1.574 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.738 3.373 -4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.956 2.341 -5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.795 3.872 -5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.338 2.276 -5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.127 3.276 -4.170 1.00 0.00 H new ATOM 455 N PHE A 115 -2.292 -1.951 -1.036 1.00 0.00 N ATOM 456 CA PHE A 115 -2.130 -3.018 -0.058 1.00 0.00 C ATOM 457 C PHE A 115 -2.178 -2.482 1.370 1.00 0.00 C ATOM 458 O PHE A 115 -2.038 -1.282 1.606 1.00 0.00 O ATOM 459 CB PHE A 115 -0.821 -3.777 -0.295 1.00 0.00 C ATOM 460 CG PHE A 115 0.415 -2.924 -0.234 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.803 -2.318 0.951 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.198 -2.741 -1.363 1.00 0.00 C ATOM 463 CE1 PHE A 115 1.949 -1.548 1.008 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.343 -1.970 -1.310 1.00 0.00 C ATOM 465 CZ PHE A 115 2.719 -1.374 -0.125 1.00 0.00 C ATOM 0 H PHE A 115 -1.688 -1.143 -0.884 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.964 -3.707 -0.186 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.736 -4.570 0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.867 -4.258 -1.272 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.203 -2.449 1.839 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.910 -3.206 -2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.242 -1.083 1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.944 -1.834 -2.197 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.615 -0.772 -0.083 1.00 0.00 H new ATOM 475 N CYS A 116 -2.383 -3.393 2.314 1.00 0.00 N ATOM 476 CA CYS A 116 -2.470 -3.048 3.727 1.00 0.00 C ATOM 477 C CYS A 116 -1.087 -3.036 4.373 1.00 0.00 C ATOM 478 O CYS A 116 -0.102 -3.443 3.758 1.00 0.00 O ATOM 479 CB CYS A 116 -3.377 -4.044 4.453 1.00 0.00 C ATOM 480 SG CYS A 116 -2.750 -5.757 4.457 1.00 0.00 S ATOM 0 H CYS A 116 -2.493 -4.389 2.122 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.894 -2.047 3.809 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.509 -3.714 5.484 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.362 -4.030 3.985 1.00 0.00 H new ATOM 485 N ALA A 117 -1.023 -2.577 5.617 1.00 0.00 N ATOM 486 CA ALA A 117 0.240 -2.514 6.345 1.00 0.00 C ATOM 487 C ALA A 117 0.865 -3.900 6.507 1.00 0.00 C ATOM 488 O ALA A 117 2.047 -4.020 6.827 1.00 0.00 O ATOM 489 CB ALA A 117 0.029 -1.873 7.707 1.00 0.00 C ATOM 0 H ALA A 117 -1.830 -2.243 6.143 1.00 0.00 H new ATOM 0 HA ALA A 117 0.930 -1.903 5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.979 -1.832 8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.359 -0.863 7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.684 -2.465 8.281 1.00 0.00 H new ATOM 495 N ARG A 118 0.071 -4.944 6.286 1.00 0.00 N ATOM 496 CA ARG A 118 0.558 -6.313 6.417 1.00 0.00 C ATOM 497 C ARG A 118 1.074 -6.853 5.086 1.00 0.00 C ATOM 498 O ARG A 118 1.812 -7.837 5.056 1.00 0.00 O ATOM 499 CB ARG A 118 -0.553 -7.221 6.944 1.00 0.00 C ATOM 500 CG ARG A 118 -1.127 -6.776 8.279 1.00 0.00 C ATOM 501 CD ARG A 118 -2.272 -7.676 8.714 1.00 0.00 C ATOM 502 NE ARG A 118 -3.367 -7.671 7.746 1.00 0.00 N ATOM 503 CZ ARG A 118 -4.209 -8.687 7.564 1.00 0.00 C ATOM 504 NH1 ARG A 118 -4.102 -9.791 8.294 1.00 0.00 N ATOM 505 NH2 ARG A 118 -5.166 -8.596 6.650 1.00 0.00 N ATOM 0 H ARG A 118 -0.910 -4.868 6.016 1.00 0.00 H new ATOM 0 HA ARG A 118 1.387 -6.302 7.125 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.357 -7.261 6.209 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.164 -8.234 7.046 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -0.344 -6.788 9.037 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.479 -5.747 8.201 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -1.905 -8.694 8.842 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -2.644 -7.347 9.684 1.00 0.00 H new ATOM 0 HE ARG A 118 -3.495 -6.837 7.173 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -3.371 -9.866 9.001 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.751 -10.564 8.148 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -5.256 -7.749 6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -5.812 -9.373 6.509 1.00 0.00 H new ATOM 519 N CYS A 119 0.684 -6.213 3.989 1.00 0.00 N ATOM 520 CA CYS A 119 1.120 -6.650 2.670 1.00 0.00 C ATOM 521 C CYS A 119 2.093 -5.649 2.062 1.00 0.00 C ATOM 522 O CYS A 119 2.097 -5.422 0.852 1.00 0.00 O ATOM 523 CB CYS A 119 -0.084 -6.837 1.752 1.00 0.00 C ATOM 524 SG CYS A 119 -1.152 -8.242 2.205 1.00 0.00 S ATOM 0 H CYS A 119 0.072 -5.397 3.987 1.00 0.00 H new ATOM 0 HA CYS A 119 1.634 -7.605 2.779 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.679 -5.924 1.761 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.270 -6.977 0.731 1.00 0.00 H new ATOM 529 N GLY A 120 2.918 -5.056 2.914 1.00 0.00 N ATOM 530 CA GLY A 120 3.891 -4.084 2.450 1.00 0.00 C ATOM 531 C GLY A 120 4.651 -3.431 3.588 1.00 0.00 C ATOM 532 O GLY A 120 4.228 -3.494 4.742 1.00 0.00 O ATOM 0 H GLY A 120 2.932 -5.230 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.598 -4.574 1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.382 -3.315 1.869 1.00 0.00 H new ATOM 536 N GLY A 121 5.774 -2.803 3.261 1.00 0.00 N ATOM 537 CA GLY A 121 6.577 -2.142 4.273 1.00 0.00 C ATOM 538 C GLY A 121 6.700 -0.652 4.029 1.00 0.00 C ATOM 539 O GLY A 121 6.700 -0.200 2.884 1.00 0.00 O ATOM 0 H GLY A 121 6.143 -2.740 2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.133 -2.312 5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.572 -2.588 4.292 1.00 0.00 H new ATOM 543 N ARG A 122 6.807 0.115 5.110 1.00 0.00 N ATOM 544 CA ARG A 122 6.929 1.565 5.010 1.00 0.00 C ATOM 545 C ARG A 122 8.391 1.982 4.888 1.00 0.00 C ATOM 546 O ARG A 122 9.247 1.508 5.634 1.00 0.00 O ATOM 547 CB ARG A 122 6.293 2.230 6.232 1.00 0.00 C ATOM 548 CG ARG A 122 6.406 3.745 6.228 1.00 0.00 C ATOM 549 CD ARG A 122 5.767 4.351 7.468 1.00 0.00 C ATOM 550 NE ARG A 122 6.381 3.854 8.696 1.00 0.00 N ATOM 551 CZ ARG A 122 5.789 3.895 9.885 1.00 0.00 C ATOM 552 NH1 ARG A 122 4.571 4.406 10.005 1.00 0.00 N ATOM 553 NH2 ARG A 122 6.415 3.423 10.954 1.00 0.00 N ATOM 0 H ARG A 122 6.812 -0.244 6.065 1.00 0.00 H new ATOM 0 HA ARG A 122 6.405 1.891 4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.240 1.953 6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 122 6.766 1.841 7.134 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.456 4.033 6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.924 4.145 5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 122 5.859 5.436 7.430 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.702 4.121 7.476 1.00 0.00 H new ATOM 0 HE ARG A 122 7.317 3.453 8.638 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.087 4.768 9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.118 4.436 10.919 1.00 0.00 H new ATOM 0 HH21 ARG A 122 7.351 3.028 10.864 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.960 3.455 11.867 1.00 0.00 H new ATOM 567 N VAL A 123 8.669 2.873 3.941 1.00 0.00 N ATOM 568 CA VAL A 123 10.028 3.354 3.721 1.00 0.00 C ATOM 569 C VAL A 123 10.060 4.875 3.617 1.00 0.00 C ATOM 570 O VAL A 123 9.376 5.465 2.781 1.00 0.00 O ATOM 571 CB VAL A 123 10.636 2.751 2.441 1.00 0.00 C ATOM 572 CG1 VAL A 123 12.117 3.087 2.342 1.00 0.00 C ATOM 573 CG2 VAL A 123 10.417 1.246 2.403 1.00 0.00 C ATOM 0 H VAL A 123 7.972 3.276 3.315 1.00 0.00 H new ATOM 0 HA VAL A 123 10.620 3.037 4.580 1.00 0.00 H new ATOM 0 HB VAL A 123 10.131 3.189 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.529 2.652 1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 123 12.244 4.169 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.641 2.680 3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.853 0.838 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 123 10.892 0.787 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.348 1.033 2.420 1.00 0.00 H new ATOM 583 N SER A 124 10.858 5.506 4.472 1.00 0.00 N ATOM 584 CA SER A 124 10.976 6.960 4.475 1.00 0.00 C ATOM 585 C SER A 124 12.150 7.418 3.615 1.00 0.00 C ATOM 586 O SER A 124 13.235 6.839 3.666 1.00 0.00 O ATOM 587 CB SER A 124 11.149 7.472 5.906 1.00 0.00 C ATOM 588 OG SER A 124 11.278 8.884 5.929 1.00 0.00 O ATOM 0 H SER A 124 11.432 5.034 5.171 1.00 0.00 H new ATOM 0 HA SER A 124 10.060 7.373 4.053 1.00 0.00 H new ATOM 0 HB2 SER A 124 10.292 7.172 6.509 1.00 0.00 H new ATOM 0 HB3 SER A 124 12.031 7.015 6.355 1.00 0.00 H new ATOM 0 HG SER A 124 11.386 9.188 6.855 1.00 0.00 H new ATOM 594 N LEU A 125 11.921 8.464 2.825 1.00 0.00 N ATOM 595 CA LEU A 125 12.957 9.009 1.955 1.00 0.00 C ATOM 596 C LEU A 125 13.699 10.150 2.642 1.00 0.00 C ATOM 597 O LEU A 125 14.928 10.205 2.622 1.00 0.00 O ATOM 598 CB LEU A 125 12.344 9.508 0.645 1.00 0.00 C ATOM 599 CG LEU A 125 11.799 8.419 -0.273 1.00 0.00 C ATOM 600 CD1 LEU A 125 11.127 9.044 -1.483 1.00 0.00 C ATOM 601 CD2 LEU A 125 12.916 7.481 -0.703 1.00 0.00 C ATOM 0 H LEU A 125 11.026 8.951 2.770 1.00 0.00 H new ATOM 0 HA LEU A 125 13.667 8.211 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 125 11.536 10.200 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.100 10.075 0.101 1.00 0.00 H new ATOM 0 HG LEU A 125 11.056 7.837 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.741 8.258 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.304 9.679 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.852 9.644 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 125 12.511 6.709 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.680 8.046 -1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.358 7.015 0.177 1.00 0.00 H new ATOM 613 N ARG A 126 12.943 11.062 3.245 1.00 0.00 N ATOM 614 CA ARG A 126 13.531 12.204 3.934 1.00 0.00 C ATOM 615 C ARG A 126 12.789 12.502 5.232 1.00 0.00 C ATOM 616 O ARG A 126 13.369 12.452 6.316 1.00 0.00 O ATOM 617 CB ARG A 126 13.516 13.438 3.030 1.00 0.00 C ATOM 618 CG ARG A 126 14.374 13.292 1.785 1.00 0.00 C ATOM 619 CD ARG A 126 14.338 14.552 0.934 1.00 0.00 C ATOM 620 NE ARG A 126 15.190 14.441 -0.247 1.00 0.00 N ATOM 621 CZ ARG A 126 15.517 15.474 -1.015 1.00 0.00 C ATOM 622 NH1 ARG A 126 15.072 16.689 -0.723 1.00 0.00 N ATOM 623 NH2 ARG A 126 16.294 15.295 -2.075 1.00 0.00 N ATOM 0 H ARG A 126 11.924 11.032 3.270 1.00 0.00 H new ATOM 0 HA ARG A 126 14.563 11.953 4.177 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.489 13.646 2.730 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.862 14.300 3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 126 15.403 13.076 2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.023 12.444 1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.312 14.750 0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.659 15.404 1.534 1.00 0.00 H new ATOM 0 HE ARG A 126 15.553 13.521 -0.495 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.477 16.832 0.093 1.00 0.00 H new ATOM 0 HH12 ARG A 126 15.325 17.481 -1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.641 14.363 -2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.544 16.089 -2.664 1.00 0.00 H new ATOM 637 N SER A 127 11.501 12.812 5.115 1.00 0.00 N ATOM 638 CA SER A 127 10.684 13.121 6.282 1.00 0.00 C ATOM 639 C SER A 127 9.224 13.327 5.889 1.00 0.00 C ATOM 640 O SER A 127 8.313 12.920 6.610 1.00 0.00 O ATOM 641 CB SER A 127 11.215 14.373 6.983 1.00 0.00 C ATOM 642 OG SER A 127 11.159 15.501 6.125 1.00 0.00 O ATOM 0 H SER A 127 11.003 12.856 4.226 1.00 0.00 H new ATOM 0 HA SER A 127 10.740 12.275 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 127 10.629 14.566 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 127 12.244 14.206 7.303 1.00 0.00 H new ATOM 0 HG SER A 127 10.351 16.020 6.320 1.00 0.00 H new ATOM 648 N ASN A 128 9.009 13.961 4.740 1.00 0.00 N ATOM 649 CA ASN A 128 7.660 14.226 4.254 1.00 0.00 C ATOM 650 C ASN A 128 7.296 13.289 3.108 1.00 0.00 C ATOM 651 O ASN A 128 6.121 13.000 2.880 1.00 0.00 O ATOM 652 CB ASN A 128 7.541 15.681 3.796 1.00 0.00 C ATOM 653 CG ASN A 128 7.893 16.662 4.897 1.00 0.00 C ATOM 654 OD1 ASN A 128 8.722 16.373 5.760 1.00 0.00 O ATOM 655 ND2 ASN A 128 7.263 17.831 4.873 1.00 0.00 N ATOM 0 H ASN A 128 9.752 14.300 4.129 1.00 0.00 H new ATOM 0 HA ASN A 128 6.964 14.049 5.074 1.00 0.00 H new ATOM 0 HB2 ASN A 128 8.198 15.846 2.942 1.00 0.00 H new ATOM 0 HB3 ASN A 128 6.523 15.870 3.456 1.00 0.00 H new ATOM 0 HD21 ASN A 128 7.459 18.531 5.589 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.583 18.029 4.139 1.00 0.00 H new ATOM 662 N LYS A 129 8.308 12.814 2.390 1.00 0.00 N ATOM 663 CA LYS A 129 8.090 11.908 1.267 1.00 0.00 C ATOM 664 C LYS A 129 7.992 10.464 1.747 1.00 0.00 C ATOM 665 O LYS A 129 9.006 9.790 1.930 1.00 0.00 O ATOM 666 CB LYS A 129 9.221 12.042 0.247 1.00 0.00 C ATOM 667 CG LYS A 129 9.391 13.453 -0.291 1.00 0.00 C ATOM 668 CD LYS A 129 8.128 13.942 -0.982 1.00 0.00 C ATOM 669 CE LYS A 129 8.315 15.335 -1.560 1.00 0.00 C ATOM 670 NZ LYS A 129 7.082 15.825 -2.234 1.00 0.00 N ATOM 0 H LYS A 129 9.287 13.041 2.565 1.00 0.00 H new ATOM 0 HA LYS A 129 7.148 12.180 0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 129 10.155 11.723 0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 129 9.030 11.365 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 129 9.644 14.127 0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 129 10.224 13.478 -0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 129 7.856 13.250 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.302 13.950 -0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.592 16.025 -0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 129 9.139 15.325 -2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.250 16.778 -2.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 6.832 15.181 -3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 6.301 15.859 -1.548 1.00 0.00 H new ATOM 684 N VAL A 130 6.765 9.994 1.952 1.00 0.00 N ATOM 685 CA VAL A 130 6.535 8.631 2.413 1.00 0.00 C ATOM 686 C VAL A 130 6.209 7.699 1.251 1.00 0.00 C ATOM 687 O VAL A 130 5.502 8.078 0.316 1.00 0.00 O ATOM 688 CB VAL A 130 5.388 8.576 3.436 1.00 0.00 C ATOM 689 CG1 VAL A 130 5.290 7.191 4.054 1.00 0.00 C ATOM 690 CG2 VAL A 130 5.585 9.634 4.510 1.00 0.00 C ATOM 0 H VAL A 130 5.915 10.538 1.806 1.00 0.00 H new ATOM 0 HA VAL A 130 7.458 8.299 2.889 1.00 0.00 H new ATOM 0 HB VAL A 130 4.451 8.784 2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 130 4.473 7.171 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 130 5.101 6.456 3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 130 6.226 6.951 4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 130 4.765 9.582 5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 130 6.529 9.458 5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 130 5.602 10.622 4.049 1.00 0.00 H new ATOM 700 N MET A 131 6.731 6.478 1.315 1.00 0.00 N ATOM 701 CA MET A 131 6.494 5.485 0.272 1.00 0.00 C ATOM 702 C MET A 131 6.321 4.095 0.873 1.00 0.00 C ATOM 703 O MET A 131 6.948 3.759 1.878 1.00 0.00 O ATOM 704 CB MET A 131 7.651 5.478 -0.727 1.00 0.00 C ATOM 705 CG MET A 131 9.019 5.374 -0.072 1.00 0.00 C ATOM 706 SD MET A 131 10.359 5.291 -1.275 1.00 0.00 S ATOM 707 CE MET A 131 9.981 3.744 -2.096 1.00 0.00 C ATOM 0 H MET A 131 7.322 6.152 2.080 1.00 0.00 H new ATOM 0 HA MET A 131 5.575 5.754 -0.248 1.00 0.00 H new ATOM 0 HB2 MET A 131 7.522 4.642 -1.414 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.611 6.390 -1.323 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.173 6.235 0.579 1.00 0.00 H new ATOM 0 HG3 MET A 131 9.048 4.487 0.561 1.00 0.00 H new ATOM 0 HE1 MET A 131 10.824 3.061 -1.991 1.00 0.00 H new ATOM 0 HE2 MET A 131 9.095 3.299 -1.643 1.00 0.00 H new ATOM 0 HE3 MET A 131 9.794 3.930 -3.154 1.00 0.00 H new ATOM 717 N TRP A 132 5.466 3.292 0.251 1.00 0.00 N ATOM 718 CA TRP A 132 5.209 1.938 0.724 1.00 0.00 C ATOM 719 C TRP A 132 5.605 0.900 -0.322 1.00 0.00 C ATOM 720 O TRP A 132 5.274 1.029 -1.502 1.00 0.00 O ATOM 721 CB TRP A 132 3.736 1.781 1.099 1.00 0.00 C ATOM 722 CG TRP A 132 3.412 2.319 2.457 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.182 3.623 2.793 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.285 1.564 3.664 1.00 0.00 C ATOM 725 NE1 TRP A 132 2.920 3.721 4.139 1.00 0.00 N ATOM 726 CE2 TRP A 132 2.979 2.470 4.696 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.401 0.205 3.972 1.00 0.00 C ATOM 728 CZ2 TRP A 132 2.786 2.063 6.012 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.210 -0.199 5.280 1.00 0.00 C ATOM 730 CH2 TRP A 132 2.905 0.728 6.286 1.00 0.00 C ATOM 0 H TRP A 132 4.939 3.555 -0.582 1.00 0.00 H new ATOM 0 HA TRP A 132 5.821 1.769 1.610 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.123 2.292 0.357 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.469 0.725 1.061 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.203 4.454 2.103 1.00 0.00 H new ATOM 0 HE1 TRP A 132 2.715 4.585 4.642 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.635 -0.515 3.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 2.551 2.775 6.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.297 -1.246 5.531 1.00 0.00 H new ATOM 0 HH2 TRP A 132 2.761 0.381 7.299 1.00 0.00 H new ATOM 741 N VAL A 133 6.314 -0.130 0.125 1.00 0.00 N ATOM 742 CA VAL A 133 6.772 -1.200 -0.754 1.00 0.00 C ATOM 743 C VAL A 133 6.090 -2.523 -0.396 1.00 0.00 C ATOM 744 O VAL A 133 6.204 -3.002 0.731 1.00 0.00 O ATOM 745 CB VAL A 133 8.311 -1.353 -0.659 1.00 0.00 C ATOM 746 CG1 VAL A 133 8.798 -2.620 -1.347 1.00 0.00 C ATOM 747 CG2 VAL A 133 9.000 -0.134 -1.251 1.00 0.00 C ATOM 0 H VAL A 133 6.586 -0.247 1.101 1.00 0.00 H new ATOM 0 HA VAL A 133 6.505 -0.938 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 133 8.568 -1.433 0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 133 9.882 -2.689 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 133 8.339 -3.489 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 133 8.522 -2.591 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 133 10.081 -0.255 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 133 8.717 -0.029 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.697 0.758 -0.702 1.00 0.00 H new ATOM 757 N CYS A 134 5.388 -3.113 -1.362 1.00 0.00 N ATOM 758 CA CYS A 134 4.693 -4.376 -1.130 1.00 0.00 C ATOM 759 C CYS A 134 5.682 -5.489 -0.798 1.00 0.00 C ATOM 760 O CYS A 134 6.859 -5.418 -1.148 1.00 0.00 O ATOM 761 CB CYS A 134 3.847 -4.767 -2.346 1.00 0.00 C ATOM 762 SG CYS A 134 4.806 -5.189 -3.838 1.00 0.00 S ATOM 0 H CYS A 134 5.286 -2.739 -2.306 1.00 0.00 H new ATOM 0 HA CYS A 134 4.029 -4.237 -0.277 1.00 0.00 H new ATOM 0 HB2 CYS A 134 3.223 -5.620 -2.078 1.00 0.00 H new ATOM 0 HB3 CYS A 134 3.175 -3.943 -2.584 1.00 0.00 H new ATOM 767 N ASN A 135 5.185 -6.519 -0.120 1.00 0.00 N ATOM 768 CA ASN A 135 6.012 -7.654 0.285 1.00 0.00 C ATOM 769 C ASN A 135 6.749 -8.282 -0.898 1.00 0.00 C ATOM 770 O ASN A 135 7.741 -8.986 -0.712 1.00 0.00 O ATOM 771 CB ASN A 135 5.151 -8.710 0.978 1.00 0.00 C ATOM 772 CG ASN A 135 4.059 -9.248 0.081 1.00 0.00 C ATOM 773 OD1 ASN A 135 4.271 -10.197 -0.675 1.00 0.00 O ATOM 774 ND2 ASN A 135 2.882 -8.650 0.165 1.00 0.00 N ATOM 0 H ASN A 135 4.208 -6.592 0.163 1.00 0.00 H new ATOM 0 HA ASN A 135 6.763 -7.277 0.979 1.00 0.00 H new ATOM 0 HB2 ASN A 135 5.786 -9.533 1.306 1.00 0.00 H new ATOM 0 HB3 ASN A 135 4.702 -8.278 1.872 1.00 0.00 H new ATOM 0 HD21 ASN A 135 2.104 -8.972 -0.411 1.00 0.00 H new ATOM 0 HD22 ASN A 135 2.752 -7.867 0.806 1.00 0.00 H new ATOM 781 N LEU A 136 6.272 -8.020 -2.112 1.00 0.00 N ATOM 782 CA LEU A 136 6.896 -8.579 -3.308 1.00 0.00 C ATOM 783 C LEU A 136 8.100 -7.745 -3.727 1.00 0.00 C ATOM 784 O LEU A 136 9.106 -8.276 -4.197 1.00 0.00 O ATOM 785 CB LEU A 136 5.886 -8.640 -4.454 1.00 0.00 C ATOM 786 CG LEU A 136 4.483 -9.085 -4.052 1.00 0.00 C ATOM 787 CD1 LEU A 136 3.519 -8.925 -5.216 1.00 0.00 C ATOM 788 CD2 LEU A 136 4.504 -10.527 -3.568 1.00 0.00 C ATOM 0 H LEU A 136 5.461 -7.428 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 136 7.234 -9.589 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.821 -7.654 -4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.263 -9.323 -5.215 1.00 0.00 H new ATOM 0 HG LEU A 136 4.139 -8.452 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.523 -9.247 -4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.485 -7.878 -5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.856 -9.534 -6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.496 -10.830 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.867 -11.174 -4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 136 5.164 -10.612 -2.705 1.00 0.00 H new ATOM 800 N CYS A 137 7.986 -6.435 -3.554 1.00 0.00 N ATOM 801 CA CYS A 137 9.066 -5.520 -3.901 1.00 0.00 C ATOM 802 C CYS A 137 10.003 -5.333 -2.714 1.00 0.00 C ATOM 803 O CYS A 137 11.213 -5.179 -2.878 1.00 0.00 O ATOM 804 CB CYS A 137 8.500 -4.165 -4.331 1.00 0.00 C ATOM 805 SG CYS A 137 7.653 -4.186 -5.942 1.00 0.00 S ATOM 0 H CYS A 137 7.155 -5.981 -3.175 1.00 0.00 H new ATOM 0 HA CYS A 137 9.626 -5.949 -4.732 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.801 -3.818 -3.570 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.313 -3.440 -4.370 1.00 0.00 H new ATOM 810 N ARG A 138 9.428 -5.352 -1.517 1.00 0.00 N ATOM 811 CA ARG A 138 10.195 -5.182 -0.291 1.00 0.00 C ATOM 812 C ARG A 138 11.201 -6.314 -0.114 1.00 0.00 C ATOM 813 O ARG A 138 12.328 -6.092 0.328 1.00 0.00 O ATOM 814 CB ARG A 138 9.254 -5.120 0.913 1.00 0.00 C ATOM 815 CG ARG A 138 9.973 -4.986 2.244 1.00 0.00 C ATOM 816 CD ARG A 138 8.998 -5.028 3.410 1.00 0.00 C ATOM 817 NE ARG A 138 8.277 -6.296 3.473 1.00 0.00 N ATOM 818 CZ ARG A 138 7.277 -6.534 4.316 1.00 0.00 C ATOM 819 NH1 ARG A 138 6.878 -5.589 5.157 1.00 0.00 N ATOM 820 NH2 ARG A 138 6.674 -7.715 4.317 1.00 0.00 N ATOM 0 H ARG A 138 8.427 -5.484 -1.370 1.00 0.00 H new ATOM 0 HA ARG A 138 10.747 -4.245 -0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.576 -4.275 0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.641 -6.021 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.701 -5.790 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.528 -4.048 2.266 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.541 -4.873 4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.285 -4.209 3.316 1.00 0.00 H new ATOM 0 HE ARG A 138 8.556 -7.041 2.835 1.00 0.00 H new ATOM 0 HH11 ARG A 138 7.339 -4.679 5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 138 6.111 -5.772 5.803 1.00 0.00 H new ATOM 0 HH21 ARG A 138 6.977 -8.443 3.670 1.00 0.00 H new ATOM 0 HH22 ARG A 138 5.907 -7.895 4.965 1.00 0.00 H new ATOM 834 N LYS A 139 10.784 -7.527 -0.459 1.00 0.00 N ATOM 835 CA LYS A 139 11.650 -8.694 -0.341 1.00 0.00 C ATOM 836 C LYS A 139 12.648 -8.737 -1.492 1.00 0.00 C ATOM 837 O LYS A 139 13.837 -8.983 -1.287 1.00 0.00 O ATOM 838 CB LYS A 139 10.815 -9.975 -0.317 1.00 0.00 C ATOM 839 CG LYS A 139 11.648 -11.246 -0.314 1.00 0.00 C ATOM 840 CD LYS A 139 10.778 -12.484 -0.169 1.00 0.00 C ATOM 841 CE LYS A 139 11.594 -13.760 -0.292 1.00 0.00 C ATOM 842 NZ LYS A 139 12.205 -13.900 -1.643 1.00 0.00 N ATOM 0 H LYS A 139 9.852 -7.728 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 139 12.203 -8.619 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 139 10.178 -9.966 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 139 10.156 -9.985 -1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 139 12.220 -11.309 -1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 139 12.368 -11.208 0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 139 10.276 -12.465 0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 139 10.000 -12.474 -0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 139 12.379 -13.763 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 139 10.955 -14.620 -0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 12.533 -14.878 -1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 11.497 -13.670 -2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 13.012 -13.250 -1.728 1.00 0.00 H new ATOM 856 N GLN A 140 12.157 -8.496 -2.702 1.00 0.00 N ATOM 857 CA GLN A 140 13.009 -8.497 -3.884 1.00 0.00 C ATOM 858 C GLN A 140 14.009 -7.349 -3.815 1.00 0.00 C ATOM 859 O GLN A 140 15.104 -7.430 -4.374 1.00 0.00 O ATOM 860 CB GLN A 140 12.161 -8.378 -5.151 1.00 0.00 C ATOM 861 CG GLN A 140 12.979 -8.368 -6.432 1.00 0.00 C ATOM 862 CD GLN A 140 12.114 -8.303 -7.675 1.00 0.00 C ATOM 863 OE1 GLN A 140 11.018 -7.742 -7.655 1.00 0.00 O ATOM 864 NE2 GLN A 140 12.603 -8.879 -8.767 1.00 0.00 N ATOM 0 H GLN A 140 11.174 -8.298 -2.890 1.00 0.00 H new ATOM 0 HA GLN A 140 13.556 -9.439 -3.916 1.00 0.00 H new ATOM 0 HB2 GLN A 140 11.457 -9.209 -5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 140 11.572 -7.463 -5.099 1.00 0.00 H new ATOM 0 HG2 GLN A 140 13.656 -7.514 -6.420 1.00 0.00 H new ATOM 0 HG3 GLN A 140 13.598 -9.265 -6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 140 13.516 -9.333 -8.739 1.00 0.00 H new ATOM 0 HE22 GLN A 140 12.066 -8.868 -9.634 1.00 0.00 H new ATOM 873 N GLN A 141 13.623 -6.282 -3.122 1.00 0.00 N ATOM 874 CA GLN A 141 14.485 -5.116 -2.971 1.00 0.00 C ATOM 875 C GLN A 141 15.569 -5.356 -1.921 1.00 0.00 C ATOM 876 O GLN A 141 16.497 -4.559 -1.783 1.00 0.00 O ATOM 877 CB GLN A 141 13.654 -3.888 -2.593 1.00 0.00 C ATOM 878 CG GLN A 141 14.478 -2.621 -2.429 1.00 0.00 C ATOM 879 CD GLN A 141 13.636 -1.426 -2.028 1.00 0.00 C ATOM 880 OE1 GLN A 141 13.451 -1.152 -0.841 1.00 0.00 O ATOM 881 NE2 GLN A 141 13.116 -0.709 -3.017 1.00 0.00 N ATOM 0 H GLN A 141 12.719 -6.201 -2.656 1.00 0.00 H new ATOM 0 HA GLN A 141 14.975 -4.938 -3.928 1.00 0.00 H new ATOM 0 HB2 GLN A 141 12.897 -3.722 -3.360 1.00 0.00 H new ATOM 0 HB3 GLN A 141 13.125 -4.090 -1.662 1.00 0.00 H new ATOM 0 HG2 GLN A 141 15.248 -2.788 -1.676 1.00 0.00 H new ATOM 0 HG3 GLN A 141 14.991 -2.402 -3.366 1.00 0.00 H new ATOM 0 HE21 GLN A 141 13.295 -0.972 -3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 141 12.538 0.105 -2.808 1.00 0.00 H new ATOM 890 N GLU A 142 15.447 -6.454 -1.182 1.00 0.00 N ATOM 891 CA GLU A 142 16.420 -6.793 -0.152 1.00 0.00 C ATOM 892 C GLU A 142 16.476 -8.301 0.065 1.00 0.00 C ATOM 893 O GLU A 142 17.273 -8.969 -0.628 1.00 0.00 O ATOM 894 CB GLU A 142 16.074 -6.089 1.161 1.00 0.00 C ATOM 895 CG GLU A 142 17.024 -6.424 2.299 1.00 0.00 C ATOM 896 CD GLU A 142 16.688 -5.680 3.577 1.00 0.00 C ATOM 897 OE1 GLU A 142 15.883 -6.203 4.375 1.00 0.00 O ATOM 898 OE2 GLU A 142 17.230 -4.572 3.778 1.00 0.00 O ATOM 899 OXT GLU A 142 15.723 -8.803 0.927 1.00 0.00 O ATOM 0 H GLU A 142 14.684 -7.124 -1.278 1.00 0.00 H new ATOM 0 HA GLU A 142 17.400 -6.454 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 142 16.081 -5.011 0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 142 15.060 -6.361 1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 142 16.994 -7.497 2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 142 18.044 -6.182 1.999 1.00 0.00 H new TER 906 GLU A 142 HETATM 907 ZN ZN A 292 -3.306 -6.965 2.222 1.00 0.00 ZN HETATM 908 ZN ZN A 308 5.316 -3.250 -5.472 1.00 0.00 ZN