USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 543 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 64 TYR OH : rot 180:sc= 0.367 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 177:sc= 0.553 (180deg=0.0621) USER MOD Set 2.1: A 46 CYS SG : rot 120:sc= 0.25 USER MOD Set 2.2: A 52 CYS SG : rot 140:sc= -2.11! USER MOD Set 2.3: A 62 CYS SG : rot -156:sc= 1.13 USER MOD Set 2.4: A 65 CYS SG : rot 142:sc= 0.0642 USER MOD Set 3.1: A 10 CYS SG : rot 159:sc= 0.761 USER MOD Set 3.2: A 13 CYS SG : rot -42:sc= 1.62 USER MOD Set 3.3: A 27 CYS SG : rot -129:sc= 2 USER MOD Set 3.4: A 30 CYS SG : rot 81:sc= 0.54 USER MOD Set 3.5: A 56 GLN :FLIP amide:sc= -0.385 F(o=3.4,f=4.5) USER MOD Set 4.1: A 26 THR OG1 : rot -133:sc= 0.198 USER MOD Set 4.2: A 75 MET CE :methyl -148:sc= -2.74 (180deg=-5.35!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -98:sc= -0.0722 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -0.17 K(o=-0.17,f=-0.82) USER MOD Single : A 22 TYR OH : rot -151:sc= -0.0422 USER MOD Single : A 24 GLN : amide:sc= -0.833 X(o=-0.83,f=-0.62) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -53:sc= 0.925 USER MOD Single : A 41 ASN : amide:sc= -1.49 K(o=-1.5,f=-3.9!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 0:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.734 X(o=-0.73,f=-0.24) USER MOD Single : A 63 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.6) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 57:sc= 0.0883 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -6.882 15.178 3.108 1.00 0.00 N ATOM 67 CA ILE A 8 -6.377 14.078 3.921 1.00 0.00 C ATOM 68 C ILE A 8 -5.206 13.381 3.236 1.00 0.00 C ATOM 69 O ILE A 8 -5.162 13.279 2.011 1.00 0.00 O ATOM 70 CB ILE A 8 -7.479 13.041 4.210 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.806 13.743 4.503 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.076 12.151 5.376 1.00 0.00 C ATOM 73 CD1 ILE A 8 -9.991 12.803 4.546 1.00 0.00 C ATOM 0 HA ILE A 8 -6.039 14.510 4.863 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.608 12.414 3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.730 14.262 5.458 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.982 14.502 3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.865 11.424 5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.151 11.628 5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.923 12.763 6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.898 13.370 4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.093 12.302 3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.837 12.059 5.327 1.00 0.00 H new ATOM 85 N GLU A 9 -4.259 12.902 4.038 1.00 0.00 N ATOM 86 CA GLU A 9 -3.088 12.214 3.508 1.00 0.00 C ATOM 87 C GLU A 9 -3.174 10.713 3.770 1.00 0.00 C ATOM 88 O GLU A 9 -3.996 10.256 4.565 1.00 0.00 O ATOM 89 CB GLU A 9 -1.811 12.779 4.134 1.00 0.00 C ATOM 90 CG GLU A 9 -1.527 14.219 3.742 1.00 0.00 C ATOM 91 CD GLU A 9 -2.154 15.218 4.695 1.00 0.00 C ATOM 92 OE1 GLU A 9 -2.265 14.903 5.898 1.00 0.00 O ATOM 93 OE2 GLU A 9 -2.535 16.316 4.236 1.00 0.00 O ATOM 0 H GLU A 9 -4.280 12.978 5.055 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.059 12.377 2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.890 12.715 5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.966 12.157 3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.449 14.378 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.903 14.398 2.735 1.00 0.00 H new ATOM 100 N CYS A 10 -2.321 9.951 3.095 1.00 0.00 N ATOM 101 CA CYS A 10 -2.300 8.502 3.251 1.00 0.00 C ATOM 102 C CYS A 10 -1.597 8.105 4.546 1.00 0.00 C ATOM 103 O CYS A 10 -0.426 8.424 4.753 1.00 0.00 O ATOM 104 CB CYS A 10 -1.600 7.849 2.058 1.00 0.00 C ATOM 105 SG CYS A 10 -1.628 6.027 2.085 1.00 0.00 S ATOM 0 H CYS A 10 -1.634 10.313 2.434 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.331 8.152 3.295 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.073 8.195 1.139 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.564 8.185 2.030 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.426 5.572 0.884 1.00 0.00 H new ATOM 110 N VAL A 11 -2.320 7.406 5.416 1.00 0.00 N ATOM 111 CA VAL A 11 -1.767 6.964 6.690 1.00 0.00 C ATOM 112 C VAL A 11 -0.747 5.849 6.489 1.00 0.00 C ATOM 113 O VAL A 11 -0.211 5.302 7.453 1.00 0.00 O ATOM 114 CB VAL A 11 -2.873 6.468 7.640 1.00 0.00 C ATOM 115 CG1 VAL A 11 -3.784 7.616 8.045 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.670 5.347 6.990 1.00 0.00 C ATOM 0 H VAL A 11 -3.291 7.134 5.261 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.274 7.827 7.138 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.404 6.074 8.541 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.559 7.246 8.716 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.199 8.383 8.554 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.248 8.044 7.156 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.447 5.008 7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.130 5.713 6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.005 4.516 6.757 1.00 0.00 H new ATOM 126 N VAL A 12 -0.483 5.516 5.229 1.00 0.00 N ATOM 127 CA VAL A 12 0.475 4.467 4.900 1.00 0.00 C ATOM 128 C VAL A 12 1.764 5.055 4.339 1.00 0.00 C ATOM 129 O VAL A 12 2.855 4.777 4.837 1.00 0.00 O ATOM 130 CB VAL A 12 -0.111 3.473 3.880 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.886 2.362 3.584 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.425 2.900 4.388 1.00 0.00 C ATOM 0 H VAL A 12 -0.919 5.958 4.420 1.00 0.00 H new ATOM 0 HA VAL A 12 0.696 3.937 5.827 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.310 4.008 2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.455 1.669 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.799 2.793 3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.119 1.827 4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.824 2.200 3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.255 2.380 5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.139 3.709 4.543 1.00 0.00 H new ATOM 142 N CYS A 13 1.631 5.871 3.298 1.00 0.00 N ATOM 143 CA CYS A 13 2.785 6.500 2.667 1.00 0.00 C ATOM 144 C CYS A 13 2.751 8.014 2.858 1.00 0.00 C ATOM 145 O CYS A 13 3.764 8.693 2.695 1.00 0.00 O ATOM 146 CB CYS A 13 2.822 6.164 1.175 1.00 0.00 C ATOM 147 SG CYS A 13 1.345 6.702 0.254 1.00 0.00 S ATOM 0 H CYS A 13 0.735 6.112 2.874 1.00 0.00 H new ATOM 0 HA CYS A 13 3.685 6.111 3.143 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.703 6.628 0.731 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.937 5.086 1.059 1.00 0.00 H new ATOM 0 HG CYS A 13 0.279 6.439 0.951 1.00 0.00 H new ATOM 152 N GLY A 14 1.578 8.535 3.206 1.00 0.00 N ATOM 153 CA GLY A 14 1.434 9.964 3.414 1.00 0.00 C ATOM 154 C GLY A 14 0.897 10.677 2.189 1.00 0.00 C ATOM 155 O GLY A 14 0.626 11.877 2.230 1.00 0.00 O ATOM 0 H GLY A 14 0.725 7.993 3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.764 10.140 4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.401 10.388 3.683 1.00 0.00 H new ATOM 159 N ASP A 15 0.745 9.938 1.095 1.00 0.00 N ATOM 160 CA ASP A 15 0.237 10.507 -0.148 1.00 0.00 C ATOM 161 C ASP A 15 -1.202 10.983 0.021 1.00 0.00 C ATOM 162 O ASP A 15 -2.007 10.338 0.693 1.00 0.00 O ATOM 163 CB ASP A 15 0.318 9.477 -1.275 1.00 0.00 C ATOM 164 CG ASP A 15 -0.146 10.037 -2.605 1.00 0.00 C ATOM 165 OD1 ASP A 15 -0.058 11.269 -2.794 1.00 0.00 O ATOM 166 OD2 ASP A 15 -0.596 9.244 -3.458 1.00 0.00 O ATOM 0 H ASP A 15 0.966 8.944 1.044 1.00 0.00 H new ATOM 0 HA ASP A 15 0.857 11.366 -0.406 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.346 9.127 -1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.291 8.611 -1.016 1.00 0.00 H new ATOM 171 N LYS A 16 -1.520 12.118 -0.593 1.00 0.00 N ATOM 172 CA LYS A 16 -2.862 12.683 -0.512 1.00 0.00 C ATOM 173 C LYS A 16 -3.920 11.599 -0.695 1.00 0.00 C ATOM 174 O LYS A 16 -4.118 11.091 -1.798 1.00 0.00 O ATOM 175 CB LYS A 16 -3.044 13.772 -1.572 1.00 0.00 C ATOM 176 CG LYS A 16 -4.472 14.277 -1.685 1.00 0.00 C ATOM 177 CD LYS A 16 -4.721 15.457 -0.760 1.00 0.00 C ATOM 178 CE LYS A 16 -5.851 16.337 -1.270 1.00 0.00 C ATOM 179 NZ LYS A 16 -5.669 17.760 -0.873 1.00 0.00 N ATOM 0 H LYS A 16 -0.866 12.665 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.985 13.123 0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.388 14.610 -1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.727 13.382 -2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.674 14.572 -2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.164 13.471 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.964 15.093 0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.810 16.049 -0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.903 16.267 -2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.801 15.970 -0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.460 18.327 -1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.644 17.831 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.775 18.118 -1.266 1.00 0.00 H new ATOM 193 N SER A 17 -4.598 11.251 0.394 1.00 0.00 N ATOM 194 CA SER A 17 -5.635 10.226 0.354 1.00 0.00 C ATOM 195 C SER A 17 -6.835 10.698 -0.461 1.00 0.00 C ATOM 196 O SER A 17 -7.233 11.861 -0.383 1.00 0.00 O ATOM 197 CB SER A 17 -6.078 9.864 1.773 1.00 0.00 C ATOM 198 OG SER A 17 -7.185 8.980 1.751 1.00 0.00 O ATOM 0 H SER A 17 -4.448 11.664 1.315 1.00 0.00 H new ATOM 0 HA SER A 17 -5.218 9.341 -0.126 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.249 9.401 2.309 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.343 10.771 2.317 1.00 0.00 H new ATOM 0 HG SER A 17 -8.012 9.488 1.883 1.00 0.00 H new ATOM 204 N SER A 18 -7.407 9.788 -1.242 1.00 0.00 N ATOM 205 CA SER A 18 -8.559 10.111 -2.075 1.00 0.00 C ATOM 206 C SER A 18 -9.843 10.103 -1.252 1.00 0.00 C ATOM 207 O SER A 18 -10.841 10.715 -1.632 1.00 0.00 O ATOM 208 CB SER A 18 -8.674 9.116 -3.231 1.00 0.00 C ATOM 209 OG SER A 18 -9.629 9.549 -4.185 1.00 0.00 O ATOM 0 H SER A 18 -7.091 8.821 -1.315 1.00 0.00 H new ATOM 0 HA SER A 18 -8.414 11.112 -2.480 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.703 8.999 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.959 8.137 -2.845 1.00 0.00 H new ATOM 0 HG SER A 18 -9.682 8.896 -4.914 1.00 0.00 H new ATOM 215 N GLY A 19 -9.810 9.405 -0.121 1.00 0.00 N ATOM 216 CA GLY A 19 -10.977 9.329 0.738 1.00 0.00 C ATOM 217 C GLY A 19 -10.899 8.178 1.722 1.00 0.00 C ATOM 218 O GLY A 19 -9.895 7.468 1.779 1.00 0.00 O ATOM 0 H GLY A 19 -8.996 8.891 0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.082 10.265 1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.870 9.217 0.123 1.00 0.00 H new ATOM 222 N LYS A 20 -11.960 7.994 2.500 1.00 0.00 N ATOM 223 CA LYS A 20 -12.009 6.922 3.487 1.00 0.00 C ATOM 224 C LYS A 20 -12.170 5.565 2.809 1.00 0.00 C ATOM 225 O LYS A 20 -13.283 5.153 2.479 1.00 0.00 O ATOM 226 CB LYS A 20 -13.161 7.155 4.466 1.00 0.00 C ATOM 227 CG LYS A 20 -13.213 6.141 5.596 1.00 0.00 C ATOM 228 CD LYS A 20 -13.925 6.701 6.816 1.00 0.00 C ATOM 229 CE LYS A 20 -12.963 7.448 7.728 1.00 0.00 C ATOM 230 NZ LYS A 20 -13.658 8.026 8.912 1.00 0.00 N ATOM 0 H LYS A 20 -12.798 8.574 2.466 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.068 6.924 4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.070 8.155 4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.103 7.126 3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.726 5.241 5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.200 5.846 5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.722 7.373 6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.396 5.888 7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.179 6.769 8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.476 8.246 7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.969 8.527 9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.390 8.693 8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.101 7.262 9.461 1.00 0.00 H new ATOM 244 N HIS A 21 -11.053 4.874 2.604 1.00 0.00 N ATOM 245 CA HIS A 21 -11.072 3.562 1.967 1.00 0.00 C ATOM 246 C HIS A 21 -10.824 2.458 2.990 1.00 0.00 C ATOM 247 O HIS A 21 -9.776 2.419 3.635 1.00 0.00 O ATOM 248 CB HIS A 21 -10.019 3.494 0.861 1.00 0.00 C ATOM 249 CG HIS A 21 -10.323 4.377 -0.310 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.435 4.213 -1.108 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.653 5.439 -0.815 1.00 0.00 C ATOM 252 CE1 HIS A 21 -11.435 5.134 -2.055 1.00 0.00 C ATOM 253 NE2 HIS A 21 -10.364 5.892 -1.899 1.00 0.00 N ATOM 0 H HIS A 21 -10.124 5.201 2.870 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.059 3.412 1.529 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.050 3.774 1.275 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.932 2.464 0.516 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -12.147 3.493 -0.986 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.730 5.853 -0.436 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.183 5.248 -2.826 1.00 0.00 H new ATOM 261 N TYR A 22 -11.795 1.563 3.135 1.00 0.00 N ATOM 262 CA TYR A 22 -11.684 0.460 4.082 1.00 0.00 C ATOM 263 C TYR A 22 -11.689 0.973 5.519 1.00 0.00 C ATOM 264 O TYR A 22 -10.992 0.442 6.382 1.00 0.00 O ATOM 265 CB TYR A 22 -10.406 -0.339 3.818 1.00 0.00 C ATOM 266 CG TYR A 22 -10.216 -0.715 2.366 1.00 0.00 C ATOM 267 CD1 TYR A 22 -10.999 -1.699 1.775 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.254 -0.087 1.586 1.00 0.00 C ATOM 269 CE1 TYR A 22 -10.828 -2.046 0.449 1.00 0.00 C ATOM 270 CE2 TYR A 22 -9.077 -0.427 0.258 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.866 -1.407 -0.305 1.00 0.00 C ATOM 272 OH TYR A 22 -9.694 -1.750 -1.627 1.00 0.00 O ATOM 0 H TYR A 22 -12.668 1.580 2.608 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.547 -0.192 3.945 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.547 0.245 4.149 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.424 -1.247 4.420 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.754 -2.201 2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.633 0.680 2.025 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.444 -2.814 0.005 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.325 0.072 -0.335 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.762 -1.594 -1.887 1.00 0.00 H new ATOM 282 N GLY A 23 -12.482 2.011 5.767 1.00 0.00 N ATOM 283 CA GLY A 23 -12.565 2.579 7.100 1.00 0.00 C ATOM 284 C GLY A 23 -11.329 3.375 7.468 1.00 0.00 C ATOM 285 O GLY A 23 -11.139 3.735 8.630 1.00 0.00 O ATOM 0 H GLY A 23 -13.068 2.469 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.441 3.224 7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.707 1.778 7.825 1.00 0.00 H new ATOM 289 N GLN A 24 -10.487 3.650 6.477 1.00 0.00 N ATOM 290 CA GLN A 24 -9.261 4.407 6.705 1.00 0.00 C ATOM 291 C GLN A 24 -8.918 5.264 5.491 1.00 0.00 C ATOM 292 O GLN A 24 -9.208 4.893 4.353 1.00 0.00 O ATOM 293 CB GLN A 24 -8.102 3.459 7.019 1.00 0.00 C ATOM 294 CG GLN A 24 -7.057 4.062 7.944 1.00 0.00 C ATOM 295 CD GLN A 24 -7.669 4.731 9.158 1.00 0.00 C ATOM 296 OE1 GLN A 24 -7.468 5.924 9.392 1.00 0.00 O ATOM 297 NE2 GLN A 24 -8.421 3.966 9.940 1.00 0.00 N ATOM 0 H GLN A 24 -10.631 3.360 5.510 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.423 5.066 7.558 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.499 2.552 7.475 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.622 3.163 6.086 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.372 3.280 8.272 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.466 4.792 7.391 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.561 2.982 9.709 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.859 4.362 10.772 1.00 0.00 H new ATOM 306 N PHE A 25 -8.298 6.413 5.740 1.00 0.00 N ATOM 307 CA PHE A 25 -7.916 7.324 4.668 1.00 0.00 C ATOM 308 C PHE A 25 -6.586 6.907 4.048 1.00 0.00 C ATOM 309 O PHE A 25 -5.527 7.060 4.660 1.00 0.00 O ATOM 310 CB PHE A 25 -7.819 8.756 5.197 1.00 0.00 C ATOM 311 CG PHE A 25 -9.146 9.342 5.588 1.00 0.00 C ATOM 312 CD1 PHE A 25 -10.139 9.534 4.641 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.399 9.703 6.901 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.362 10.072 4.997 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.619 10.241 7.264 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.601 10.427 6.310 1.00 0.00 C ATOM 0 H PHE A 25 -8.050 6.735 6.675 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.685 7.281 3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.155 8.771 6.061 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.363 9.387 4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.956 9.260 3.613 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.634 9.562 7.650 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.129 10.214 4.250 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.805 10.516 8.292 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.554 10.850 6.591 1.00 0.00 H new ATOM 326 N THR A 26 -6.646 6.379 2.830 1.00 0.00 N ATOM 327 CA THR A 26 -5.448 5.939 2.127 1.00 0.00 C ATOM 328 C THR A 26 -5.502 6.324 0.653 1.00 0.00 C ATOM 329 O THR A 26 -6.568 6.319 0.038 1.00 0.00 O ATOM 330 CB THR A 26 -5.259 4.414 2.241 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.470 3.742 1.878 1.00 0.00 O ATOM 332 CG2 THR A 26 -4.859 4.022 3.655 1.00 0.00 C ATOM 0 H THR A 26 -7.513 6.246 2.309 1.00 0.00 H new ATOM 0 HA THR A 26 -4.603 6.440 2.599 1.00 0.00 H new ATOM 0 HB THR A 26 -4.461 4.117 1.560 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.678 3.058 2.548 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.731 2.941 3.711 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.921 4.512 3.917 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.637 4.332 4.352 1.00 0.00 H new ATOM 340 N CYS A 27 -4.345 6.658 0.091 1.00 0.00 N ATOM 341 CA CYS A 27 -4.259 7.046 -1.311 1.00 0.00 C ATOM 342 C CYS A 27 -4.707 5.905 -2.220 1.00 0.00 C ATOM 343 O CYS A 27 -4.991 4.802 -1.753 1.00 0.00 O ATOM 344 CB CYS A 27 -2.828 7.460 -1.661 1.00 0.00 C ATOM 345 SG CYS A 27 -1.632 6.086 -1.646 1.00 0.00 S ATOM 0 H CYS A 27 -3.453 6.668 0.586 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.924 7.895 -1.468 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.825 7.919 -2.650 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.499 8.222 -0.955 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.607 6.411 -0.915 1.00 0.00 H new ATOM 350 N GLU A 28 -4.766 6.178 -3.520 1.00 0.00 N ATOM 351 CA GLU A 28 -5.179 5.175 -4.493 1.00 0.00 C ATOM 352 C GLU A 28 -4.095 4.117 -4.678 1.00 0.00 C ATOM 353 O GLU A 28 -4.385 2.962 -4.988 1.00 0.00 O ATOM 354 CB GLU A 28 -5.496 5.835 -5.836 1.00 0.00 C ATOM 355 CG GLU A 28 -6.617 6.858 -5.762 1.00 0.00 C ATOM 356 CD GLU A 28 -7.990 6.217 -5.700 1.00 0.00 C ATOM 357 OE1 GLU A 28 -8.427 5.855 -4.588 1.00 0.00 O ATOM 358 OE2 GLU A 28 -8.627 6.078 -6.766 1.00 0.00 O ATOM 0 H GLU A 28 -4.533 7.086 -3.923 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.078 4.688 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.596 6.321 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.767 5.063 -6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.473 7.486 -4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.565 7.512 -6.632 1.00 0.00 H new ATOM 365 N GLY A 29 -2.843 4.521 -4.485 1.00 0.00 N ATOM 366 CA GLY A 29 -1.733 3.597 -4.635 1.00 0.00 C ATOM 367 C GLY A 29 -1.754 2.493 -3.597 1.00 0.00 C ATOM 368 O GLY A 29 -1.443 1.340 -3.899 1.00 0.00 O ATOM 0 H GLY A 29 -2.577 5.472 -4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.764 3.156 -5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.794 4.146 -4.558 1.00 0.00 H new ATOM 372 N CYS A 30 -2.120 2.845 -2.369 1.00 0.00 N ATOM 373 CA CYS A 30 -2.178 1.876 -1.281 1.00 0.00 C ATOM 374 C CYS A 30 -3.538 1.185 -1.239 1.00 0.00 C ATOM 375 O CYS A 30 -3.628 -0.020 -1.001 1.00 0.00 O ATOM 376 CB CYS A 30 -1.902 2.564 0.058 1.00 0.00 C ATOM 377 SG CYS A 30 -0.259 3.342 0.170 1.00 0.00 S ATOM 0 H CYS A 30 -2.381 3.794 -2.102 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.412 1.121 -1.459 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.664 3.324 0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.000 1.830 0.858 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.284 4.497 -0.427 1.00 0.00 H new ATOM 382 N LYS A 31 -4.594 1.956 -1.474 1.00 0.00 N ATOM 383 CA LYS A 31 -5.950 1.420 -1.465 1.00 0.00 C ATOM 384 C LYS A 31 -6.009 0.078 -2.188 1.00 0.00 C ATOM 385 O LYS A 31 -6.557 -0.894 -1.669 1.00 0.00 O ATOM 386 CB LYS A 31 -6.916 2.409 -2.123 1.00 0.00 C ATOM 387 CG LYS A 31 -8.293 1.827 -2.391 1.00 0.00 C ATOM 388 CD LYS A 31 -8.958 2.495 -3.584 1.00 0.00 C ATOM 389 CE LYS A 31 -8.292 2.092 -4.891 1.00 0.00 C ATOM 390 NZ LYS A 31 -8.989 2.675 -6.071 1.00 0.00 N ATOM 0 H LYS A 31 -4.537 2.955 -1.673 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.247 1.267 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.019 3.284 -1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.486 2.752 -3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.207 0.756 -2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.920 1.950 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.013 2.223 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.911 3.578 -3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.252 2.419 -4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.284 1.005 -4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.505 2.377 -6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.974 2.343 -6.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.975 3.713 -6.005 1.00 0.00 H new ATOM 404 N SER A 32 -5.441 0.033 -3.389 1.00 0.00 N ATOM 405 CA SER A 32 -5.432 -1.190 -4.185 1.00 0.00 C ATOM 406 C SER A 32 -4.404 -2.180 -3.645 1.00 0.00 C ATOM 407 O SER A 32 -4.693 -3.366 -3.485 1.00 0.00 O ATOM 408 CB SER A 32 -5.127 -0.868 -5.649 1.00 0.00 C ATOM 409 OG SER A 32 -6.312 -0.552 -6.359 1.00 0.00 O ATOM 0 H SER A 32 -4.981 0.828 -3.832 1.00 0.00 H new ATOM 0 HA SER A 32 -6.420 -1.646 -4.119 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.432 -0.030 -5.703 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.635 -1.720 -6.117 1.00 0.00 H new ATOM 0 HG SER A 32 -6.090 -0.348 -7.292 1.00 0.00 H new ATOM 415 N PHE A 33 -3.203 -1.685 -3.368 1.00 0.00 N ATOM 416 CA PHE A 33 -2.131 -2.525 -2.848 1.00 0.00 C ATOM 417 C PHE A 33 -2.621 -3.367 -1.673 1.00 0.00 C ATOM 418 O PHE A 33 -2.152 -4.485 -1.458 1.00 0.00 O ATOM 419 CB PHE A 33 -0.944 -1.663 -2.412 1.00 0.00 C ATOM 420 CG PHE A 33 0.139 -2.441 -1.720 1.00 0.00 C ATOM 421 CD1 PHE A 33 0.043 -2.739 -0.371 1.00 0.00 C ATOM 422 CD2 PHE A 33 1.255 -2.872 -2.420 1.00 0.00 C ATOM 423 CE1 PHE A 33 1.038 -3.455 0.268 1.00 0.00 C ATOM 424 CE2 PHE A 33 2.253 -3.588 -1.786 1.00 0.00 C ATOM 425 CZ PHE A 33 2.145 -3.879 -0.440 1.00 0.00 C ATOM 0 H PHE A 33 -2.947 -0.706 -3.495 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.810 -3.196 -3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.523 -1.169 -3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.300 -0.879 -1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.819 -2.408 0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.346 -2.646 -3.472 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.950 -3.683 1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.117 -3.920 -2.343 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.925 -4.437 0.057 1.00 0.00 H new ATOM 435 N PHE A 34 -3.567 -2.822 -0.916 1.00 0.00 N ATOM 436 CA PHE A 34 -4.121 -3.521 0.237 1.00 0.00 C ATOM 437 C PHE A 34 -5.080 -4.623 -0.203 1.00 0.00 C ATOM 438 O PHE A 34 -4.947 -5.777 0.203 1.00 0.00 O ATOM 439 CB PHE A 34 -4.845 -2.536 1.158 1.00 0.00 C ATOM 440 CG PHE A 34 -5.513 -3.193 2.332 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.760 -3.772 3.340 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.895 -3.233 2.425 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.372 -4.377 4.422 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.513 -3.837 3.505 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.750 -4.410 4.503 1.00 0.00 C ATOM 0 H PHE A 34 -3.966 -1.898 -1.080 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.296 -3.979 0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.129 -1.799 1.523 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.594 -1.994 0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.682 -3.751 3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.496 -2.788 1.646 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.773 -4.823 5.202 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.591 -3.860 3.568 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.231 -4.884 5.346 1.00 0.00 H new ATOM 455 N LYS A 35 -6.049 -4.257 -1.036 1.00 0.00 N ATOM 456 CA LYS A 35 -7.032 -5.212 -1.533 1.00 0.00 C ATOM 457 C LYS A 35 -6.356 -6.323 -2.331 1.00 0.00 C ATOM 458 O LYS A 35 -6.476 -7.501 -1.996 1.00 0.00 O ATOM 459 CB LYS A 35 -8.068 -4.501 -2.406 1.00 0.00 C ATOM 460 CG LYS A 35 -8.706 -5.402 -3.449 1.00 0.00 C ATOM 461 CD LYS A 35 -9.615 -4.618 -4.381 1.00 0.00 C ATOM 462 CE LYS A 35 -10.335 -5.535 -5.359 1.00 0.00 C ATOM 463 NZ LYS A 35 -11.464 -4.844 -6.039 1.00 0.00 N ATOM 0 H LYS A 35 -6.174 -3.305 -1.381 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.534 -5.659 -0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.849 -4.090 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.591 -3.659 -2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.927 -5.897 -4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.280 -6.185 -2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.347 -4.063 -3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.027 -3.885 -4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.628 -5.896 -6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.712 -6.409 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.928 -5.502 -6.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.152 -4.521 -5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.102 -4.025 -6.567 1.00 0.00 H new ATOM 477 N ARG A 36 -5.645 -5.938 -3.386 1.00 0.00 N ATOM 478 CA ARG A 36 -4.950 -6.902 -4.231 1.00 0.00 C ATOM 479 C ARG A 36 -4.230 -7.947 -3.385 1.00 0.00 C ATOM 480 O ARG A 36 -3.950 -9.052 -3.850 1.00 0.00 O ATOM 481 CB ARG A 36 -3.949 -6.187 -5.140 1.00 0.00 C ATOM 482 CG ARG A 36 -2.659 -5.796 -4.436 1.00 0.00 C ATOM 483 CD ARG A 36 -1.546 -5.508 -5.431 1.00 0.00 C ATOM 484 NE ARG A 36 -0.795 -6.712 -5.776 1.00 0.00 N ATOM 485 CZ ARG A 36 -0.060 -6.830 -6.877 1.00 0.00 C ATOM 486 NH1 ARG A 36 0.022 -5.822 -7.734 1.00 0.00 N ATOM 487 NH2 ARG A 36 0.595 -7.957 -7.121 1.00 0.00 N ATOM 0 H ARG A 36 -5.535 -4.966 -3.676 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.692 -7.408 -4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.711 -6.834 -5.984 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.417 -5.291 -5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.833 -4.915 -3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.351 -6.599 -3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.972 -5.075 -6.336 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.867 -4.765 -5.011 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.837 -7.506 -5.137 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.480 -4.953 -7.549 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.587 -5.915 -8.578 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.535 -8.734 -6.463 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.159 -8.046 -7.966 1.00 0.00 H new ATOM 501 N SER A 37 -3.932 -7.589 -2.140 1.00 0.00 N ATOM 502 CA SER A 37 -3.240 -8.494 -1.229 1.00 0.00 C ATOM 503 C SER A 37 -4.229 -9.192 -0.301 1.00 0.00 C ATOM 504 O SER A 37 -4.042 -10.352 0.066 1.00 0.00 O ATOM 505 CB SER A 37 -2.202 -7.729 -0.406 1.00 0.00 C ATOM 506 OG SER A 37 -2.824 -6.954 0.605 1.00 0.00 O ATOM 0 H SER A 37 -4.159 -6.679 -1.739 1.00 0.00 H new ATOM 0 HA SER A 37 -2.732 -9.252 -1.826 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.503 -8.432 0.048 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.621 -7.080 -1.061 1.00 0.00 H new ATOM 0 HG SER A 37 -3.509 -6.381 0.203 1.00 0.00 H new ATOM 512 N VAL A 38 -5.283 -8.475 0.077 1.00 0.00 N ATOM 513 CA VAL A 38 -6.303 -9.024 0.962 1.00 0.00 C ATOM 514 C VAL A 38 -7.264 -9.929 0.199 1.00 0.00 C ATOM 515 O VAL A 38 -7.453 -11.092 0.556 1.00 0.00 O ATOM 516 CB VAL A 38 -7.107 -7.906 1.653 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.412 -8.454 2.211 1.00 0.00 C ATOM 518 CG2 VAL A 38 -6.279 -7.255 2.750 1.00 0.00 C ATOM 0 H VAL A 38 -5.452 -7.513 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.783 -9.609 1.720 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.349 -7.144 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.967 -7.650 2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.009 -8.869 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.196 -9.236 2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.862 -6.468 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.005 -8.005 3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.375 -6.826 2.317 1.00 0.00 H new ATOM 528 N ARG A 39 -7.867 -9.388 -0.854 1.00 0.00 N ATOM 529 CA ARG A 39 -8.809 -10.146 -1.668 1.00 0.00 C ATOM 530 C ARG A 39 -8.181 -11.449 -2.155 1.00 0.00 C ATOM 531 O ARG A 39 -8.861 -12.468 -2.281 1.00 0.00 O ATOM 532 CB ARG A 39 -9.270 -9.311 -2.865 1.00 0.00 C ATOM 533 CG ARG A 39 -8.168 -9.036 -3.875 1.00 0.00 C ATOM 534 CD ARG A 39 -8.434 -9.744 -5.195 1.00 0.00 C ATOM 535 NE ARG A 39 -8.912 -11.110 -4.997 1.00 0.00 N ATOM 536 CZ ARG A 39 -9.868 -11.667 -5.732 1.00 0.00 C ATOM 537 NH1 ARG A 39 -10.445 -10.980 -6.708 1.00 0.00 N ATOM 538 NH2 ARG A 39 -10.248 -12.916 -5.491 1.00 0.00 N ATOM 0 H ARG A 39 -7.720 -8.427 -1.164 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.673 -10.388 -1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.089 -9.829 -3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.666 -8.362 -2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.089 -7.962 -4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.211 -9.366 -3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.172 -9.181 -5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.519 -9.762 -5.787 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.489 -11.666 -4.254 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.155 -10.020 -6.897 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.179 -11.411 -7.270 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.806 -13.448 -4.741 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.982 -13.344 -6.055 1.00 0.00 H new ATOM 552 N ARG A 40 -6.881 -11.407 -2.428 1.00 0.00 N ATOM 553 CA ARG A 40 -6.162 -12.584 -2.902 1.00 0.00 C ATOM 554 C ARG A 40 -5.490 -13.314 -1.743 1.00 0.00 C ATOM 555 O ARG A 40 -5.092 -14.471 -1.873 1.00 0.00 O ATOM 556 CB ARG A 40 -5.115 -12.182 -3.942 1.00 0.00 C ATOM 557 CG ARG A 40 -5.663 -11.294 -5.047 1.00 0.00 C ATOM 558 CD ARG A 40 -4.946 -11.537 -6.366 1.00 0.00 C ATOM 559 NE ARG A 40 -3.518 -11.243 -6.274 1.00 0.00 N ATOM 560 CZ ARG A 40 -2.698 -11.249 -7.319 1.00 0.00 C ATOM 561 NH1 ARG A 40 -3.162 -11.531 -8.529 1.00 0.00 N ATOM 562 NH2 ARG A 40 -1.411 -10.971 -7.156 1.00 0.00 N ATOM 0 H ARG A 40 -6.304 -10.571 -2.329 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.883 -13.259 -3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.299 -11.662 -3.441 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.693 -13.083 -4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.729 -11.483 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.556 -10.248 -4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.084 -12.575 -6.668 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.395 -10.917 -7.142 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.129 -11.021 -5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.151 -11.744 -8.659 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.530 -11.535 -9.330 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.050 -10.752 -6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.782 -10.976 -7.959 1.00 0.00 H new ATOM 576 N ASN A 41 -5.366 -12.629 -0.611 1.00 0.00 N ATOM 577 CA ASN A 41 -4.741 -13.212 0.570 1.00 0.00 C ATOM 578 C ASN A 41 -3.258 -13.478 0.326 1.00 0.00 C ATOM 579 O ASN A 41 -2.731 -14.522 0.714 1.00 0.00 O ATOM 580 CB ASN A 41 -5.447 -14.513 0.957 1.00 0.00 C ATOM 581 CG ASN A 41 -6.950 -14.431 0.776 1.00 0.00 C ATOM 582 OD1 ASN A 41 -7.460 -14.554 -0.338 1.00 0.00 O ATOM 583 ND2 ASN A 41 -7.668 -14.222 1.873 1.00 0.00 N ATOM 0 H ASN A 41 -5.690 -11.670 -0.487 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.834 -12.499 1.389 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.055 -15.330 0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.221 -14.750 1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.684 -14.157 1.813 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.203 -14.126 2.776 1.00 0.00 H new ATOM 590 N LEU A 42 -2.591 -12.527 -0.318 1.00 0.00 N ATOM 591 CA LEU A 42 -1.168 -12.658 -0.614 1.00 0.00 C ATOM 592 C LEU A 42 -0.331 -12.480 0.648 1.00 0.00 C ATOM 593 O LEU A 42 -0.651 -11.659 1.509 1.00 0.00 O ATOM 594 CB LEU A 42 -0.750 -11.629 -1.666 1.00 0.00 C ATOM 595 CG LEU A 42 -1.713 -11.437 -2.838 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.200 -10.361 -3.781 1.00 0.00 C ATOM 597 CD2 LEU A 42 -1.915 -12.749 -3.582 1.00 0.00 C ATOM 0 H LEU A 42 -3.012 -11.657 -0.645 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.994 -13.660 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.616 -10.667 -1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.222 -11.921 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.676 -11.114 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.899 -10.239 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.108 -9.418 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.225 -10.653 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.603 -12.594 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.957 -13.101 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.329 -13.493 -2.902 1.00 0.00 H new ATOM 609 N THR A 43 0.745 -13.254 0.753 1.00 0.00 N ATOM 610 CA THR A 43 1.629 -13.181 1.909 1.00 0.00 C ATOM 611 C THR A 43 3.048 -12.810 1.493 1.00 0.00 C ATOM 612 O THR A 43 3.728 -13.580 0.813 1.00 0.00 O ATOM 613 CB THR A 43 1.664 -14.518 2.674 1.00 0.00 C ATOM 614 OG1 THR A 43 0.330 -14.986 2.902 1.00 0.00 O ATOM 615 CG2 THR A 43 2.385 -14.361 4.004 1.00 0.00 C ATOM 0 H THR A 43 1.025 -13.939 0.051 1.00 0.00 H new ATOM 0 HA THR A 43 1.231 -12.406 2.564 1.00 0.00 H new ATOM 0 HB THR A 43 2.206 -15.244 2.068 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.360 -15.837 3.387 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.397 -15.318 4.526 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.409 -14.031 3.826 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.866 -13.621 4.614 1.00 0.00 H new ATOM 623 N TYR A 44 3.491 -11.628 1.907 1.00 0.00 N ATOM 624 CA TYR A 44 4.829 -11.154 1.576 1.00 0.00 C ATOM 625 C TYR A 44 5.819 -11.498 2.685 1.00 0.00 C ATOM 626 O TYR A 44 5.447 -11.607 3.854 1.00 0.00 O ATOM 627 CB TYR A 44 4.815 -9.643 1.341 1.00 0.00 C ATOM 628 CG TYR A 44 3.740 -9.190 0.378 1.00 0.00 C ATOM 629 CD1 TYR A 44 3.676 -9.702 -0.912 1.00 0.00 C ATOM 630 CD2 TYR A 44 2.790 -8.251 0.758 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.697 -9.291 -1.796 1.00 0.00 C ATOM 632 CE2 TYR A 44 1.806 -7.835 -0.118 1.00 0.00 C ATOM 633 CZ TYR A 44 1.764 -8.358 -1.394 1.00 0.00 C ATOM 634 OH TYR A 44 0.786 -7.945 -2.270 1.00 0.00 O ATOM 0 H TYR A 44 2.942 -10.980 2.473 1.00 0.00 H new ATOM 0 HA TYR A 44 5.147 -11.654 0.661 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.673 -9.137 2.296 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.788 -9.334 0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.404 -10.434 -1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.821 -7.839 1.756 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.662 -9.698 -2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.074 -7.105 0.194 1.00 0.00 H new ATOM 0 HH TYR A 44 0.897 -8.408 -3.127 1.00 0.00 H new ATOM 644 N THR A 45 7.083 -11.668 2.310 1.00 0.00 N ATOM 645 CA THR A 45 8.127 -12.000 3.271 1.00 0.00 C ATOM 646 C THR A 45 9.156 -10.880 3.373 1.00 0.00 C ATOM 647 O THR A 45 10.189 -10.910 2.704 1.00 0.00 O ATOM 648 CB THR A 45 8.845 -13.309 2.890 1.00 0.00 C ATOM 649 OG1 THR A 45 7.907 -14.390 2.855 1.00 0.00 O ATOM 650 CG2 THR A 45 9.954 -13.626 3.882 1.00 0.00 C ATOM 0 H THR A 45 7.408 -11.581 1.347 1.00 0.00 H new ATOM 0 HA THR A 45 7.639 -12.130 4.237 1.00 0.00 H new ATOM 0 HB THR A 45 9.288 -13.180 1.902 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.371 -15.218 2.610 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.447 -14.554 3.593 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.682 -12.815 3.885 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.529 -13.736 4.880 1.00 0.00 H new ATOM 658 N CYS A 46 8.868 -9.894 4.215 1.00 0.00 N ATOM 659 CA CYS A 46 9.769 -8.763 4.406 1.00 0.00 C ATOM 660 C CYS A 46 11.226 -9.214 4.354 1.00 0.00 C ATOM 661 O CYS A 46 11.687 -9.960 5.218 1.00 0.00 O ATOM 662 CB CYS A 46 9.484 -8.077 5.743 1.00 0.00 C ATOM 663 SG CYS A 46 10.600 -6.687 6.119 1.00 0.00 S ATOM 0 H CYS A 46 8.017 -9.855 4.777 1.00 0.00 H new ATOM 0 HA CYS A 46 9.597 -8.053 3.597 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.456 -7.713 5.741 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.559 -8.815 6.541 1.00 0.00 H new ATOM 0 HG CYS A 46 9.906 -5.595 6.245 1.00 0.00 H new ATOM 668 N ARG A 47 11.945 -8.755 3.334 1.00 0.00 N ATOM 669 CA ARG A 47 13.349 -9.112 3.169 1.00 0.00 C ATOM 670 C ARG A 47 14.231 -8.302 4.115 1.00 0.00 C ATOM 671 O ARG A 47 15.454 -8.293 3.984 1.00 0.00 O ATOM 672 CB ARG A 47 13.788 -8.880 1.722 1.00 0.00 C ATOM 673 CG ARG A 47 15.078 -9.596 1.355 1.00 0.00 C ATOM 674 CD ARG A 47 14.976 -11.092 1.608 1.00 0.00 C ATOM 675 NE ARG A 47 15.991 -11.842 0.873 1.00 0.00 N ATOM 676 CZ ARG A 47 16.394 -13.061 1.212 1.00 0.00 C ATOM 677 NH1 ARG A 47 15.869 -13.666 2.269 1.00 0.00 N ATOM 678 NH2 ARG A 47 17.322 -13.679 0.493 1.00 0.00 N ATOM 0 H ARG A 47 11.579 -8.136 2.611 1.00 0.00 H new ATOM 0 HA ARG A 47 13.461 -10.169 3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.995 -9.213 1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.916 -7.810 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.308 -9.418 0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.903 -9.183 1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.083 -11.287 2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.985 -11.442 1.318 1.00 0.00 H new ATOM 0 HE ARG A 47 16.414 -11.405 0.054 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.154 -13.195 2.823 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.180 -14.602 2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.727 -13.218 -0.322 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.630 -14.615 0.755 1.00 0.00 H new ATOM 692 N ALA A 48 13.600 -7.623 5.068 1.00 0.00 N ATOM 693 CA ALA A 48 14.327 -6.812 6.036 1.00 0.00 C ATOM 694 C ALA A 48 13.843 -7.087 7.456 1.00 0.00 C ATOM 695 O ALA A 48 13.040 -7.991 7.684 1.00 0.00 O ATOM 696 CB ALA A 48 14.180 -5.335 5.704 1.00 0.00 C ATOM 0 H ALA A 48 12.587 -7.619 5.190 1.00 0.00 H new ATOM 0 HA ALA A 48 15.381 -7.083 5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.728 -4.741 6.436 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.580 -5.144 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.126 -5.059 5.730 1.00 0.00 H new ATOM 702 N ASN A 49 14.337 -6.302 8.408 1.00 0.00 N ATOM 703 CA ASN A 49 13.956 -6.462 9.806 1.00 0.00 C ATOM 704 C ASN A 49 12.603 -5.812 10.079 1.00 0.00 C ATOM 705 O ASN A 49 12.402 -5.186 11.120 1.00 0.00 O ATOM 706 CB ASN A 49 15.021 -5.853 10.720 1.00 0.00 C ATOM 707 CG ASN A 49 16.272 -6.706 10.798 1.00 0.00 C ATOM 708 OD1 ASN A 49 16.416 -7.537 11.695 1.00 0.00 O ATOM 709 ND2 ASN A 49 17.185 -6.504 9.855 1.00 0.00 N ATOM 0 H ASN A 49 15.002 -5.548 8.236 1.00 0.00 H new ATOM 0 HA ASN A 49 13.875 -7.529 10.015 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.284 -4.860 10.356 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.608 -5.726 11.721 1.00 0.00 H new ATOM 0 HD21 ASN A 49 18.048 -7.048 9.855 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.024 -5.804 9.130 1.00 0.00 H new ATOM 716 N ARG A 50 11.678 -5.965 9.136 1.00 0.00 N ATOM 717 CA ARG A 50 10.345 -5.392 9.274 1.00 0.00 C ATOM 718 C ARG A 50 10.420 -3.954 9.779 1.00 0.00 C ATOM 719 O ARG A 50 9.569 -3.511 10.550 1.00 0.00 O ATOM 720 CB ARG A 50 9.500 -6.236 10.231 1.00 0.00 C ATOM 721 CG ARG A 50 9.330 -7.678 9.782 1.00 0.00 C ATOM 722 CD ARG A 50 8.777 -8.548 10.900 1.00 0.00 C ATOM 723 NE ARG A 50 9.780 -8.829 11.924 1.00 0.00 N ATOM 724 CZ ARG A 50 10.726 -9.752 11.792 1.00 0.00 C ATOM 725 NH1 ARG A 50 10.796 -10.480 10.686 1.00 0.00 N ATOM 726 NH2 ARG A 50 11.603 -9.949 12.767 1.00 0.00 N ATOM 0 H ARG A 50 11.828 -6.481 8.269 1.00 0.00 H new ATOM 0 HA ARG A 50 9.875 -5.389 8.290 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.962 -6.224 11.218 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.516 -5.778 10.334 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.659 -7.716 8.924 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.291 -8.074 9.453 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.922 -8.050 11.357 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.413 -9.487 10.482 1.00 0.00 H new ATOM 0 HE ARG A 50 9.752 -8.287 12.788 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.123 -10.332 9.934 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.523 -11.188 10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.552 -9.391 13.620 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.329 -10.658 12.664 1.00 0.00 H new ATOM 740 N ASN A 51 11.445 -3.231 9.339 1.00 0.00 N ATOM 741 CA ASN A 51 11.632 -1.844 9.748 1.00 0.00 C ATOM 742 C ASN A 51 11.758 -0.931 8.531 1.00 0.00 C ATOM 743 O ASN A 51 12.239 0.198 8.635 1.00 0.00 O ATOM 744 CB ASN A 51 12.877 -1.713 10.628 1.00 0.00 C ATOM 745 CG ASN A 51 14.133 -1.452 9.818 1.00 0.00 C ATOM 746 OD1 ASN A 51 14.803 -0.436 10.002 1.00 0.00 O ATOM 747 ND2 ASN A 51 14.457 -2.371 8.917 1.00 0.00 N ATOM 0 H ASN A 51 12.158 -3.582 8.700 1.00 0.00 H new ATOM 0 HA ASN A 51 10.756 -1.539 10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.732 -0.900 11.340 1.00 0.00 H new ATOM 0 HB3 ASN A 51 13.006 -2.626 11.209 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.291 -2.250 8.343 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.872 -3.198 8.799 1.00 0.00 H new ATOM 754 N CYS A 52 11.321 -1.427 7.379 1.00 0.00 N ATOM 755 CA CYS A 52 11.383 -0.658 6.142 1.00 0.00 C ATOM 756 C CYS A 52 10.520 0.597 6.238 1.00 0.00 C ATOM 757 O CYS A 52 9.343 0.545 6.593 1.00 0.00 O ATOM 758 CB CYS A 52 10.926 -1.516 4.960 1.00 0.00 C ATOM 759 SG CYS A 52 11.599 -3.208 4.965 1.00 0.00 S ATOM 0 H CYS A 52 10.920 -2.359 7.276 1.00 0.00 H new ATOM 0 HA CYS A 52 12.418 -0.355 5.983 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.837 -1.570 4.963 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.218 -1.023 4.033 1.00 0.00 H new ATOM 0 HG CYS A 52 10.677 -4.043 4.586 1.00 0.00 H new ATOM 764 N PRO A 53 11.119 1.752 5.913 1.00 0.00 N ATOM 765 CA PRO A 53 10.424 3.043 5.954 1.00 0.00 C ATOM 766 C PRO A 53 9.370 3.168 4.859 1.00 0.00 C ATOM 767 O PRO A 53 9.688 3.477 3.710 1.00 0.00 O ATOM 768 CB PRO A 53 11.548 4.058 5.732 1.00 0.00 C ATOM 769 CG PRO A 53 12.596 3.306 4.986 1.00 0.00 C ATOM 770 CD PRO A 53 12.520 1.888 5.481 1.00 0.00 C ATOM 0 HA PRO A 53 9.882 3.185 6.889 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.197 4.919 5.162 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.932 4.437 6.679 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.420 3.354 3.911 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.584 3.730 5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.769 1.174 4.696 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.213 1.712 6.304 1.00 0.00 H new ATOM 778 N ILE A 54 8.115 2.928 5.223 1.00 0.00 N ATOM 779 CA ILE A 54 7.014 3.016 4.272 1.00 0.00 C ATOM 780 C ILE A 54 6.555 4.459 4.093 1.00 0.00 C ATOM 781 O ILE A 54 5.627 4.913 4.762 1.00 0.00 O ATOM 782 CB ILE A 54 5.815 2.159 4.718 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.281 0.756 5.113 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.776 2.084 3.609 1.00 0.00 C ATOM 785 CD1 ILE A 54 6.874 -0.030 3.965 1.00 0.00 C ATOM 0 H ILE A 54 7.835 2.671 6.170 1.00 0.00 H new ATOM 0 HA ILE A 54 7.388 2.636 3.321 1.00 0.00 H new ATOM 0 HB ILE A 54 5.357 2.628 5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.023 0.839 5.907 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.436 0.203 5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.935 1.475 3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.425 3.088 3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.223 1.635 2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.182 -1.014 4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.128 -0.144 3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.740 0.501 3.569 1.00 0.00 H new ATOM 797 N ASP A 55 7.211 5.175 3.187 1.00 0.00 N ATOM 798 CA ASP A 55 6.869 6.566 2.918 1.00 0.00 C ATOM 799 C ASP A 55 6.563 6.775 1.438 1.00 0.00 C ATOM 800 O ASP A 55 7.049 6.033 0.584 1.00 0.00 O ATOM 801 CB ASP A 55 8.012 7.487 3.349 1.00 0.00 C ATOM 802 CG ASP A 55 9.309 7.177 2.630 1.00 0.00 C ATOM 803 OD1 ASP A 55 9.413 7.499 1.427 1.00 0.00 O ATOM 804 OD2 ASP A 55 10.221 6.612 3.269 1.00 0.00 O ATOM 0 H ASP A 55 7.983 4.815 2.626 1.00 0.00 H new ATOM 0 HA ASP A 55 5.977 6.812 3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.732 8.523 3.156 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.165 7.393 4.424 1.00 0.00 H new ATOM 809 N GLN A 56 5.754 7.787 1.143 1.00 0.00 N ATOM 810 CA GLN A 56 5.383 8.091 -0.234 1.00 0.00 C ATOM 811 C GLN A 56 6.594 8.555 -1.036 1.00 0.00 C ATOM 812 O GLN A 56 6.836 8.081 -2.146 1.00 0.00 O ATOM 813 CB GLN A 56 4.294 9.165 -0.266 1.00 0.00 C ATOM 814 CG GLN A 56 4.201 9.898 -1.594 1.00 0.00 C ATOM 815 CD GLN A 56 3.960 8.962 -2.762 1.00 0.00 C ATOM 816 OE1 GLN A 56 3.139 7.941 -2.543 1.00 0.00 O flip ATOM 817 NE2 GLN A 56 4.505 9.154 -3.849 1.00 0.00 N flip ATOM 0 H GLN A 56 5.343 8.410 1.838 1.00 0.00 H new ATOM 0 HA GLN A 56 4.998 7.178 -0.689 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.332 8.701 -0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.486 9.889 0.526 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.393 10.628 -1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.123 10.454 -1.763 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.129 9.952 -3.973 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.333 8.516 -4.626 1.00 0.00 H new ATOM 915 N CYS A 62 8.721 -1.689 0.897 1.00 0.00 N ATOM 916 CA CYS A 62 8.614 -3.088 1.292 1.00 0.00 C ATOM 917 C CYS A 62 7.175 -3.582 1.161 1.00 0.00 C ATOM 918 O CYS A 62 6.237 -2.903 1.576 1.00 0.00 O ATOM 919 CB CYS A 62 9.099 -3.273 2.731 1.00 0.00 C ATOM 920 SG CYS A 62 8.754 -4.921 3.426 1.00 0.00 S ATOM 0 HA CYS A 62 9.244 -3.676 0.625 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.173 -3.093 2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.628 -2.519 3.362 1.00 0.00 H new ATOM 0 HG CYS A 62 8.719 -4.846 4.723 1.00 0.00 H new ATOM 925 N GLN A 63 7.012 -4.767 0.583 1.00 0.00 N ATOM 926 CA GLN A 63 5.689 -5.351 0.398 1.00 0.00 C ATOM 927 C GLN A 63 5.028 -5.638 1.742 1.00 0.00 C ATOM 928 O GLN A 63 3.981 -5.074 2.063 1.00 0.00 O ATOM 929 CB GLN A 63 5.787 -6.639 -0.422 1.00 0.00 C ATOM 930 CG GLN A 63 6.029 -6.400 -1.903 1.00 0.00 C ATOM 931 CD GLN A 63 4.895 -5.645 -2.566 1.00 0.00 C ATOM 932 OE1 GLN A 63 5.085 -4.545 -3.085 1.00 0.00 O ATOM 933 NE2 GLN A 63 3.704 -6.233 -2.553 1.00 0.00 N ATOM 0 H GLN A 63 7.779 -5.342 0.235 1.00 0.00 H new ATOM 0 HA GLN A 63 5.074 -4.631 -0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.596 -7.252 -0.025 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.866 -7.208 -0.300 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.956 -5.840 -2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.164 -7.358 -2.404 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.591 -7.146 -2.112 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.903 -5.772 -2.984 1.00 0.00 H new ATOM 942 N TYR A 64 5.645 -6.517 2.523 1.00 0.00 N ATOM 943 CA TYR A 64 5.114 -6.881 3.831 1.00 0.00 C ATOM 944 C TYR A 64 4.844 -5.639 4.675 1.00 0.00 C ATOM 945 O TYR A 64 3.693 -5.266 4.901 1.00 0.00 O ATOM 946 CB TYR A 64 6.091 -7.805 4.562 1.00 0.00 C ATOM 947 CG TYR A 64 5.867 -7.862 6.056 1.00 0.00 C ATOM 948 CD1 TYR A 64 4.976 -8.773 6.610 1.00 0.00 C ATOM 949 CD2 TYR A 64 6.546 -7.005 6.913 1.00 0.00 C ATOM 950 CE1 TYR A 64 4.768 -8.829 7.975 1.00 0.00 C ATOM 951 CE2 TYR A 64 6.346 -7.055 8.279 1.00 0.00 C ATOM 952 CZ TYR A 64 5.456 -7.968 8.805 1.00 0.00 C ATOM 953 OH TYR A 64 5.252 -8.019 10.165 1.00 0.00 O ATOM 0 H TYR A 64 6.513 -6.991 2.273 1.00 0.00 H new ATOM 0 HA TYR A 64 4.171 -7.406 3.678 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.003 -8.811 4.151 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.110 -7.469 4.368 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.437 -9.449 5.963 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.242 -6.287 6.504 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.071 -9.542 8.390 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.884 -6.383 8.931 1.00 0.00 H new ATOM 0 HH TYR A 64 5.814 -7.348 10.605 1.00 0.00 H new ATOM 963 N CYS A 65 5.915 -5.002 5.136 1.00 0.00 N ATOM 964 CA CYS A 65 5.796 -3.801 5.955 1.00 0.00 C ATOM 965 C CYS A 65 4.637 -2.930 5.478 1.00 0.00 C ATOM 966 O CYS A 65 3.694 -2.670 6.226 1.00 0.00 O ATOM 967 CB CYS A 65 7.100 -3.001 5.915 1.00 0.00 C ATOM 968 SG CYS A 65 8.456 -3.740 6.880 1.00 0.00 S ATOM 0 H CYS A 65 6.875 -5.297 4.957 1.00 0.00 H new ATOM 0 HA CYS A 65 5.597 -4.109 6.982 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.420 -2.900 4.878 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.908 -1.995 6.289 1.00 0.00 H new ATOM 0 HG CYS A 65 9.579 -3.579 6.245 1.00 0.00 H new ATOM 973 N ARG A 66 4.715 -2.483 4.229 1.00 0.00 N ATOM 974 CA ARG A 66 3.673 -1.641 3.653 1.00 0.00 C ATOM 975 C ARG A 66 2.291 -2.230 3.915 1.00 0.00 C ATOM 976 O ARG A 66 1.408 -1.557 4.449 1.00 0.00 O ATOM 977 CB ARG A 66 3.893 -1.478 2.148 1.00 0.00 C ATOM 978 CG ARG A 66 2.829 -0.636 1.464 1.00 0.00 C ATOM 979 CD ARG A 66 3.285 -0.171 0.090 1.00 0.00 C ATOM 980 NE ARG A 66 2.163 0.254 -0.744 1.00 0.00 N ATOM 981 CZ ARG A 66 2.307 0.902 -1.894 1.00 0.00 C ATOM 982 NH1 ARG A 66 3.518 1.199 -2.345 1.00 0.00 N ATOM 983 NH2 ARG A 66 1.237 1.255 -2.596 1.00 0.00 N ATOM 0 H ARG A 66 5.488 -2.690 3.597 1.00 0.00 H new ATOM 0 HA ARG A 66 3.728 -0.662 4.129 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.869 -1.022 1.979 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.917 -2.464 1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.911 -1.216 1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.595 0.230 2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.987 0.655 0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.820 -0.980 -0.407 1.00 0.00 H new ATOM 0 HE ARG A 66 1.218 0.041 -0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.342 0.930 -1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.625 1.697 -3.229 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.304 1.028 -2.252 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.348 1.753 -3.479 1.00 0.00 H new ATOM 997 N LEU A 67 2.109 -3.491 3.537 1.00 0.00 N ATOM 998 CA LEU A 67 0.834 -4.172 3.731 1.00 0.00 C ATOM 999 C LEU A 67 0.404 -4.117 5.193 1.00 0.00 C ATOM 1000 O LEU A 67 -0.680 -3.630 5.515 1.00 0.00 O ATOM 1001 CB LEU A 67 0.936 -5.627 3.271 1.00 0.00 C ATOM 1002 CG LEU A 67 0.073 -6.633 4.033 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -1.397 -6.439 3.696 1.00 0.00 C ATOM 1004 CD2 LEU A 67 0.510 -8.057 3.719 1.00 0.00 C ATOM 0 H LEU A 67 2.829 -4.062 3.094 1.00 0.00 H new ATOM 0 HA LEU A 67 0.081 -3.660 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.667 -5.673 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.977 -5.940 3.348 1.00 0.00 H new ATOM 0 HG LEU A 67 0.206 -6.460 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.996 -7.164 4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.704 -5.430 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.547 -6.584 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.115 -8.759 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.407 -8.242 2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.551 -8.191 4.012 1.00 0.00 H new ATOM 1016 N LYS A 68 1.261 -4.618 6.075 1.00 0.00 N ATOM 1017 CA LYS A 68 0.973 -4.624 7.505 1.00 0.00 C ATOM 1018 C LYS A 68 0.524 -3.244 7.975 1.00 0.00 C ATOM 1019 O LYS A 68 -0.495 -3.109 8.653 1.00 0.00 O ATOM 1020 CB LYS A 68 2.208 -5.067 8.293 1.00 0.00 C ATOM 1021 CG LYS A 68 2.417 -6.571 8.301 1.00 0.00 C ATOM 1022 CD LYS A 68 1.338 -7.280 9.102 1.00 0.00 C ATOM 1023 CE LYS A 68 1.531 -8.789 9.084 1.00 0.00 C ATOM 1024 NZ LYS A 68 2.423 -9.247 10.184 1.00 0.00 N ATOM 0 H LYS A 68 2.162 -5.026 5.825 1.00 0.00 H new ATOM 0 HA LYS A 68 0.163 -5.331 7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.090 -4.588 7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.118 -4.716 9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.416 -6.945 7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.395 -6.801 8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.354 -6.922 10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.358 -7.033 8.693 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.562 -9.280 9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.953 -9.090 8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.489 -10.285 10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.371 -8.838 10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.034 -8.938 11.098 1.00 0.00 H new ATOM 1038 N LYS A 69 1.290 -2.222 7.610 1.00 0.00 N ATOM 1039 CA LYS A 69 0.971 -0.851 7.992 1.00 0.00 C ATOM 1040 C LYS A 69 -0.520 -0.575 7.828 1.00 0.00 C ATOM 1041 O LYS A 69 -1.084 0.273 8.521 1.00 0.00 O ATOM 1042 CB LYS A 69 1.779 0.137 7.148 1.00 0.00 C ATOM 1043 CG LYS A 69 1.394 1.588 7.375 1.00 0.00 C ATOM 1044 CD LYS A 69 2.599 2.508 7.265 1.00 0.00 C ATOM 1045 CE LYS A 69 3.325 2.637 8.595 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.770 2.948 8.410 1.00 0.00 N ATOM 0 H LYS A 69 2.137 -2.317 7.050 1.00 0.00 H new ATOM 0 HA LYS A 69 1.234 -0.722 9.042 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.838 0.012 7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.645 -0.105 6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.641 1.884 6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.942 1.696 8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.285 2.122 6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.276 3.493 6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.858 3.422 9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.222 1.708 9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.230 3.028 9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.222 2.186 7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.869 3.847 7.897 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.154 -1.295 6.909 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.580 -1.127 6.655 1.00 0.00 C ATOM 1062 C CYS A 70 -3.407 -1.679 7.812 1.00 0.00 C ATOM 1063 O CYS A 70 -4.247 -0.979 8.379 1.00 0.00 O ATOM 1064 CB CYS A 70 -2.973 -1.826 5.353 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.071 -1.240 3.900 1.00 0.00 S ATOM 0 H CYS A 70 -0.703 -2.001 6.327 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.784 -0.060 6.562 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.806 -2.897 5.464 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.041 -1.686 5.186 1.00 0.00 H new ATOM 0 HG CYS A 70 -0.793 -1.376 4.098 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.165 -2.939 8.157 1.00 0.00 N ATOM 1072 CA LEU A 71 -3.888 -3.587 9.246 1.00 0.00 C ATOM 1073 C LEU A 71 -3.559 -2.931 10.584 1.00 0.00 C ATOM 1074 O LEU A 71 -4.176 -3.235 11.605 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.546 -5.077 9.297 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.578 -5.819 7.961 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -2.946 -7.195 8.099 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.006 -5.935 7.449 1.00 0.00 C ATOM 0 H LEU A 71 -2.474 -3.532 7.698 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.956 -3.473 9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.550 -5.186 9.727 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.242 -5.566 9.978 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.999 -5.247 7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.978 -7.708 7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.910 -7.089 8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.497 -7.776 8.839 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.009 -6.466 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.609 -6.484 8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.425 -4.938 7.310 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.584 -2.029 10.571 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.175 -1.327 11.781 1.00 0.00 C ATOM 1092 C LYS A 72 -2.884 0.019 11.896 1.00 0.00 C ATOM 1093 O LYS A 72 -3.596 0.276 12.867 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.659 -1.118 11.786 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.141 -0.445 13.045 1.00 0.00 C ATOM 1096 CD LYS A 72 -0.140 1.069 12.908 1.00 0.00 C ATOM 1097 CE LYS A 72 -0.199 1.752 14.265 1.00 0.00 C ATOM 1098 NZ LYS A 72 1.147 1.855 14.893 1.00 0.00 N ATOM 0 H LYS A 72 -2.062 -1.767 9.735 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.455 -1.940 12.638 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.167 -2.084 11.672 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.381 -0.515 10.921 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.760 -0.734 13.894 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.870 -0.793 13.255 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.758 1.387 12.378 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.993 1.381 12.305 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.624 2.749 14.151 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.865 1.195 14.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.064 2.326 15.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.542 0.902 15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.776 2.409 14.277 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.685 0.874 10.898 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.308 2.193 10.886 1.00 0.00 C ATOM 1114 C VAL A 73 -4.797 2.100 11.198 1.00 0.00 C ATOM 1115 O VAL A 73 -5.346 2.938 11.912 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.122 2.889 9.525 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.663 3.266 9.313 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.620 1.997 8.398 1.00 0.00 C ATOM 0 H VAL A 73 -2.098 0.677 10.088 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.814 2.783 11.658 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.713 3.805 9.521 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.551 3.757 8.346 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.344 3.945 10.104 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.048 2.367 9.337 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.481 2.505 7.444 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.058 1.063 8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.679 1.783 8.544 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.447 1.073 10.657 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.868 0.889 10.889 1.00 0.00 C ATOM 1130 C GLY A 74 -7.540 0.110 9.776 1.00 0.00 C ATOM 1131 O GLY A 74 -8.552 -0.554 9.999 1.00 0.00 O ATOM 0 H GLY A 74 -5.015 0.366 10.063 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.014 0.366 11.834 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.346 1.864 10.987 1.00 0.00 H new ATOM 1135 N MET A 75 -6.979 0.193 8.575 1.00 0.00 N ATOM 1136 CA MET A 75 -7.532 -0.510 7.423 1.00 0.00 C ATOM 1137 C MET A 75 -7.957 -1.924 7.802 1.00 0.00 C ATOM 1138 O MET A 75 -7.178 -2.683 8.379 1.00 0.00 O ATOM 1139 CB MET A 75 -6.507 -0.560 6.288 1.00 0.00 C ATOM 1140 CG MET A 75 -6.147 0.809 5.733 1.00 0.00 C ATOM 1141 SD MET A 75 -7.179 1.283 4.333 1.00 0.00 S ATOM 1142 CE MET A 75 -6.494 0.248 3.042 1.00 0.00 C ATOM 0 H MET A 75 -6.142 0.740 8.374 1.00 0.00 H new ATOM 0 HA MET A 75 -8.412 0.036 7.084 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.601 -1.046 6.649 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.901 -1.178 5.481 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.247 1.554 6.522 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.101 0.809 5.425 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.573 0.761 2.084 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.446 0.042 3.258 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.046 -0.691 2.997 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.197 -2.273 7.474 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.726 -3.596 7.782 1.00 0.00 C ATOM 1154 C ARG A 76 -9.842 -4.443 6.518 1.00 0.00 C ATOM 1155 O ARG A 76 -10.120 -3.926 5.436 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.094 -3.478 8.457 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.144 -2.803 7.590 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.476 -2.688 8.316 1.00 0.00 C ATOM 1159 NE ARG A 76 -14.396 -1.784 7.632 1.00 0.00 N ATOM 1160 CZ ARG A 76 -15.706 -1.767 7.849 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -16.247 -2.599 8.728 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -16.479 -0.914 7.187 1.00 0.00 N ATOM 0 H ARG A 76 -9.854 -1.657 6.995 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.033 -4.087 8.465 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.444 -4.474 8.727 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.985 -2.916 9.385 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.797 -1.810 7.304 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.278 -3.372 6.670 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -13.931 -3.675 8.397 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.306 -2.331 9.332 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.012 -1.130 6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -15.657 -3.255 9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -17.254 -2.583 8.892 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.067 -0.271 6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.485 -0.902 7.354 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.627 -5.746 6.663 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.705 -6.664 5.534 1.00 0.00 C ATOM 1178 C ARG A 77 -11.158 -6.945 5.161 1.00 0.00 C ATOM 1179 O ARG A 77 -11.536 -6.863 3.993 1.00 0.00 O ATOM 1180 CB ARG A 77 -8.990 -7.975 5.864 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.484 -7.827 6.012 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.813 -9.170 6.253 1.00 0.00 C ATOM 1183 NE ARG A 77 -6.855 -10.023 5.068 1.00 0.00 N ATOM 1184 CZ ARG A 77 -7.869 -10.833 4.780 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -8.918 -10.899 5.588 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -7.833 -11.578 3.683 1.00 0.00 N ATOM 0 H ARG A 77 -9.397 -6.190 7.552 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.213 -6.194 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.400 -8.379 6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.200 -8.701 5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.072 -7.370 5.112 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.263 -7.155 6.841 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.776 -9.009 6.548 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.305 -9.677 7.083 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.063 -9.996 4.426 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.948 -10.328 6.432 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.695 -11.521 5.365 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.027 -11.530 3.060 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.611 -12.199 3.463 1.00 0.00 H new ATOM 1200 N GLU A 78 -11.967 -7.276 6.163 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.378 -7.570 5.939 1.00 0.00 C ATOM 1202 C GLU A 78 -13.957 -6.663 4.857 1.00 0.00 C ATOM 1203 O GLU A 78 -14.692 -7.117 3.980 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.169 -7.402 7.238 1.00 0.00 C ATOM 1205 CG GLU A 78 -14.010 -6.032 7.875 1.00 0.00 C ATOM 1206 CD GLU A 78 -14.452 -6.008 9.325 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -15.673 -5.928 9.572 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -13.575 -6.068 10.213 1.00 0.00 O ATOM 0 H GLU A 78 -11.670 -7.347 7.136 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.459 -8.604 5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.225 -7.579 7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.849 -8.163 7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.966 -5.725 7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.591 -5.303 7.310 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.622 -5.379 4.927 1.00 0.00 N ATOM 1216 CA ALA A 79 -14.107 -4.409 3.953 1.00 0.00 C ATOM 1217 C ALA A 79 -13.784 -4.851 2.530 1.00 0.00 C ATOM 1218 O ALA A 79 -14.670 -4.933 1.679 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.509 -3.038 4.231 1.00 0.00 C ATOM 0 H ALA A 79 -13.017 -4.986 5.648 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.191 -4.346 4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.880 -2.324 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.796 -2.712 5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.422 -3.095 4.166 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.510 -5.133 2.278 1.00 0.00 N ATOM 1226 CA VAL A 80 -12.070 -5.567 0.957 1.00 0.00 C ATOM 1227 C VAL A 80 -13.040 -6.580 0.360 1.00 0.00 C ATOM 1228 O VAL A 80 -13.319 -6.554 -0.838 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.663 -6.190 1.011 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.238 -6.670 -0.369 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.660 -5.192 1.569 1.00 0.00 C ATOM 0 H VAL A 80 -11.764 -5.069 2.971 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.042 -4.679 0.325 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.692 -7.053 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.241 -7.107 -0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.943 -7.420 -0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.225 -5.827 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.671 -5.649 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.632 -4.309 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.958 -4.902 2.577 1.00 0.00 H new