USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 642 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 73 HIS : no HD1:sc= 0.398 K(o=0.84,f=-0.94) USER MOD Set 1.2: A 77 ASN :FLIP amide:sc= 0.439 F(o=-0.82,f=0.84) USER MOD Set 2.1: A 53 HIS : no HE2:sc= 0.912 K(o=2.9,f=-4!) USER MOD Set 2.2: A 86 THR OG1 : rot -39:sc= 1.97 USER MOD Set 3.1: A 31 GLN : amide:sc= 0.754 K(o=1.7,f=-1.2) USER MOD Set 3.2: A 36 CYS SG : rot -172:sc= 0.965 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0374 X(o=-0.037,f=-0.14) USER MOD Single : A 61 GLN : amide:sc= -0.329 K(o=-0.33,f=-2) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -150:sc= -2.6! USER MOD Single : A 68 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.41) USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= 0.837 (180deg=0.385) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc=-0.00365 X(o=-0.0037,f=-0.02) USER MOD Single : A 84 MET CE :methyl -164:sc= -2.91 (180deg=-4.15!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl -173:sc= -0.895 (180deg=-1.11) USER MOD ----------------------------------------------------------------- ATOM 54 N ASN A 11 14.491 -7.800 3.112 1.00 0.00 N ATOM 55 CA ASN A 11 13.369 -7.370 2.324 1.00 0.00 C ATOM 56 C ASN A 11 12.264 -7.037 3.254 1.00 0.00 C ATOM 57 O ASN A 11 11.543 -7.913 3.732 1.00 0.00 O ATOM 58 CB ASN A 11 12.924 -8.413 1.287 1.00 0.00 C ATOM 59 CG ASN A 11 13.985 -8.711 0.255 1.00 0.00 C ATOM 60 OD1 ASN A 11 14.778 -9.640 0.414 1.00 0.00 O ATOM 61 ND2 ASN A 11 14.028 -7.925 -0.791 1.00 0.00 N ATOM 0 HA ASN A 11 13.664 -6.496 1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 11 12.656 -9.336 1.801 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.026 -8.056 0.783 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.736 -8.072 -1.510 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.353 -7.166 -0.887 1.00 0.00 H new ATOM 68 N VAL A 12 12.144 -5.789 3.549 1.00 0.00 N ATOM 69 CA VAL A 12 11.215 -5.350 4.508 1.00 0.00 C ATOM 70 C VAL A 12 10.162 -4.529 3.863 1.00 0.00 C ATOM 71 O VAL A 12 10.436 -3.558 3.148 1.00 0.00 O ATOM 72 CB VAL A 12 11.861 -4.556 5.671 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.787 -4.028 6.615 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.807 -5.434 6.451 1.00 0.00 C ATOM 0 H VAL A 12 12.697 -5.045 3.123 1.00 0.00 H new ATOM 0 HA VAL A 12 10.777 -6.248 4.945 1.00 0.00 H new ATOM 0 HB VAL A 12 12.413 -3.721 5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.257 -3.473 7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.113 -3.369 6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.222 -4.864 7.027 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.251 -4.859 7.264 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.260 -6.282 6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.595 -5.797 5.791 1.00 0.00 H new ATOM 84 N THR A 13 9.002 -4.922 4.107 1.00 0.00 N ATOM 85 CA THR A 13 7.854 -4.280 3.673 1.00 0.00 C ATOM 86 C THR A 13 7.092 -3.864 4.908 1.00 0.00 C ATOM 87 O THR A 13 6.761 -4.693 5.779 1.00 0.00 O ATOM 88 CB THR A 13 7.064 -5.227 2.771 1.00 0.00 C ATOM 89 OG1 THR A 13 7.718 -5.331 1.479 1.00 0.00 O ATOM 90 CG2 THR A 13 5.614 -4.825 2.620 1.00 0.00 C ATOM 0 H THR A 13 8.810 -5.761 4.654 1.00 0.00 H new ATOM 0 HA THR A 13 8.066 -3.392 3.078 1.00 0.00 H new ATOM 0 HB THR A 13 7.054 -6.205 3.251 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.210 -5.940 0.903 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.105 -5.536 1.968 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.134 -4.822 3.598 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.556 -3.828 2.184 1.00 0.00 H new ATOM 98 N THR A 14 6.879 -2.609 5.008 1.00 0.00 N ATOM 99 CA THR A 14 6.295 -2.038 6.147 1.00 0.00 C ATOM 100 C THR A 14 4.783 -2.039 6.001 1.00 0.00 C ATOM 101 O THR A 14 4.233 -1.838 4.913 1.00 0.00 O ATOM 102 CB THR A 14 6.826 -0.616 6.337 1.00 0.00 C ATOM 103 OG1 THR A 14 8.275 -0.640 6.276 1.00 0.00 O ATOM 104 CG2 THR A 14 6.394 -0.034 7.683 1.00 0.00 C ATOM 0 H THR A 14 7.114 -1.936 4.278 1.00 0.00 H new ATOM 0 HA THR A 14 6.555 -2.624 7.029 1.00 0.00 H new ATOM 0 HB THR A 14 6.416 0.011 5.545 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.623 0.269 6.395 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.788 0.977 7.786 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.306 -0.006 7.735 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.780 -0.657 8.490 1.00 0.00 H new ATOM 112 N VAL A 15 4.138 -2.308 7.069 1.00 0.00 N ATOM 113 CA VAL A 15 2.732 -2.365 7.123 1.00 0.00 C ATOM 114 C VAL A 15 2.233 -1.348 8.078 1.00 0.00 C ATOM 115 O VAL A 15 2.827 -1.135 9.142 1.00 0.00 O ATOM 116 CB VAL A 15 2.266 -3.760 7.568 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.781 -3.781 7.869 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.580 -4.766 6.496 1.00 0.00 C ATOM 0 H VAL A 15 4.591 -2.502 7.962 1.00 0.00 H new ATOM 0 HA VAL A 15 2.334 -2.164 6.128 1.00 0.00 H new ATOM 0 HB VAL A 15 2.799 -4.016 8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.487 -4.783 8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.562 -3.074 8.669 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.224 -3.501 6.975 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.248 -5.754 6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.065 -4.490 5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.655 -4.785 6.318 1.00 0.00 H new ATOM 128 N LEU A 16 1.197 -0.690 7.701 1.00 0.00 N ATOM 129 CA LEU A 16 0.555 0.172 8.576 1.00 0.00 C ATOM 130 C LEU A 16 -0.884 -0.232 8.663 1.00 0.00 C ATOM 131 O LEU A 16 -1.652 -0.091 7.706 1.00 0.00 O ATOM 132 CB LEU A 16 0.660 1.603 8.151 1.00 0.00 C ATOM 133 CG LEU A 16 0.116 2.573 9.166 1.00 0.00 C ATOM 134 CD1 LEU A 16 1.028 2.671 10.354 1.00 0.00 C ATOM 135 CD2 LEU A 16 -0.109 3.896 8.562 1.00 0.00 C ATOM 0 H LEU A 16 0.783 -0.746 6.771 1.00 0.00 H new ATOM 0 HA LEU A 16 1.041 0.099 9.549 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.706 1.840 7.958 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.124 1.735 7.211 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.846 2.196 9.512 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.614 3.378 11.073 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.123 1.691 10.822 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.010 3.016 10.031 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.502 4.578 9.316 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.833 4.285 8.177 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.825 3.806 7.745 1.00 0.00 H new ATOM 147 N ILE A 17 -1.258 -0.702 9.780 1.00 0.00 N ATOM 148 CA ILE A 17 -2.591 -1.133 9.987 1.00 0.00 C ATOM 149 C ILE A 17 -3.305 0.013 10.677 1.00 0.00 C ATOM 150 O ILE A 17 -2.701 0.734 11.469 1.00 0.00 O ATOM 151 CB ILE A 17 -2.600 -2.474 10.835 1.00 0.00 C ATOM 152 CG1 ILE A 17 -3.424 -3.556 10.145 1.00 0.00 C ATOM 153 CG2 ILE A 17 -3.141 -2.268 12.236 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.903 -3.259 10.105 1.00 0.00 C ATOM 0 H ILE A 17 -0.648 -0.804 10.591 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.104 -1.370 9.055 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.560 -2.791 10.908 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.060 -3.683 9.125 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.267 -4.504 10.660 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.126 -3.215 12.775 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.522 -1.542 12.762 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.165 -1.899 12.180 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.424 -4.072 9.600 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.282 -3.162 11.122 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.073 -2.328 9.564 1.00 0.00 H new ATOM 166 N ARG A 18 -4.513 0.260 10.268 1.00 0.00 N ATOM 167 CA ARG A 18 -5.317 1.321 10.821 1.00 0.00 C ATOM 168 C ARG A 18 -6.414 0.713 11.631 1.00 0.00 C ATOM 169 O ARG A 18 -7.313 0.082 11.096 1.00 0.00 O ATOM 170 CB ARG A 18 -5.899 2.201 9.714 1.00 0.00 C ATOM 171 CG ARG A 18 -5.069 3.432 9.330 1.00 0.00 C ATOM 172 CD ARG A 18 -3.606 3.151 8.993 1.00 0.00 C ATOM 173 NE ARG A 18 -3.379 2.191 7.882 1.00 0.00 N ATOM 174 CZ ARG A 18 -3.450 2.477 6.569 1.00 0.00 C ATOM 175 NH1 ARG A 18 -4.110 3.548 6.139 1.00 0.00 N ATOM 176 NH2 ARG A 18 -2.881 1.652 5.683 1.00 0.00 N ATOM 0 H ARG A 18 -4.978 -0.273 9.533 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.694 1.955 11.452 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.037 1.588 8.824 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.888 2.537 10.026 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.537 3.912 8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.105 4.146 10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.122 4.094 8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.112 2.769 9.887 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.149 1.231 8.137 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.571 4.165 6.807 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.155 3.752 5.141 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.398 0.813 6.004 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.930 1.862 4.686 1.00 0.00 H new ATOM 190 N ARG A 19 -6.322 0.847 12.905 1.00 0.00 N ATOM 191 CA ARG A 19 -7.280 0.240 13.759 1.00 0.00 C ATOM 192 C ARG A 19 -8.080 1.276 14.552 1.00 0.00 C ATOM 193 O ARG A 19 -7.540 1.946 15.404 1.00 0.00 O ATOM 194 CB ARG A 19 -6.571 -0.731 14.678 1.00 0.00 C ATOM 195 CG ARG A 19 -7.494 -1.475 15.589 1.00 0.00 C ATOM 196 CD ARG A 19 -6.770 -2.569 16.317 1.00 0.00 C ATOM 197 NE ARG A 19 -7.702 -3.454 16.972 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.377 -4.430 17.808 1.00 0.00 C ATOM 199 NH1 ARG A 19 -6.167 -4.481 18.323 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.291 -5.321 18.162 1.00 0.00 N ATOM 0 H ARG A 19 -5.590 1.374 13.382 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.004 -0.300 13.148 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.013 -1.448 14.075 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.843 -0.185 15.278 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.934 -0.785 16.309 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.315 -1.900 15.012 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.157 -3.134 15.615 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.094 -2.136 17.054 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.694 -3.317 16.776 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.478 -3.769 18.079 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.918 -5.232 18.966 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.239 -5.254 17.792 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.047 -6.074 18.805 1.00 0.00 H new ATOM 214 N PRO A 20 -9.366 1.450 14.248 1.00 0.00 N ATOM 215 CA PRO A 20 -10.240 2.384 14.987 1.00 0.00 C ATOM 216 C PRO A 20 -10.319 2.073 16.499 1.00 0.00 C ATOM 217 O PRO A 20 -10.245 2.980 17.331 1.00 0.00 O ATOM 218 CB PRO A 20 -11.604 2.187 14.322 1.00 0.00 C ATOM 219 CG PRO A 20 -11.270 1.720 12.952 1.00 0.00 C ATOM 220 CD PRO A 20 -10.076 0.830 13.113 1.00 0.00 C ATOM 0 HA PRO A 20 -9.867 3.407 14.941 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.207 1.454 14.858 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.175 3.115 14.299 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.105 1.179 12.507 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.047 2.560 12.294 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.363 -0.199 13.328 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.462 0.809 12.213 1.00 0.00 H new ATOM 228 N ASP A 21 -10.402 0.796 16.843 1.00 0.00 N ATOM 229 CA ASP A 21 -10.537 0.364 18.238 1.00 0.00 C ATOM 230 C ASP A 21 -10.394 -1.158 18.274 1.00 0.00 C ATOM 231 O ASP A 21 -10.186 -1.778 17.230 1.00 0.00 O ATOM 232 CB ASP A 21 -11.913 0.803 18.827 1.00 0.00 C ATOM 233 CG ASP A 21 -12.044 0.591 20.330 1.00 0.00 C ATOM 234 OD1 ASP A 21 -11.690 1.487 21.105 1.00 0.00 O ATOM 235 OD2 ASP A 21 -12.456 -0.492 20.745 1.00 0.00 O ATOM 0 H ASP A 21 -10.378 0.029 16.171 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.764 0.830 18.849 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.071 1.858 18.605 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.705 0.249 18.323 1.00 0.00 H new ATOM 240 N LEU A 22 -10.577 -1.744 19.429 1.00 0.00 N ATOM 241 CA LEU A 22 -10.410 -3.157 19.681 1.00 0.00 C ATOM 242 C LEU A 22 -11.633 -3.916 19.242 1.00 0.00 C ATOM 243 O LEU A 22 -11.632 -5.142 19.165 1.00 0.00 O ATOM 244 CB LEU A 22 -10.177 -3.353 21.160 1.00 0.00 C ATOM 245 CG LEU A 22 -9.004 -2.556 21.709 1.00 0.00 C ATOM 246 CD1 LEU A 22 -8.819 -2.849 23.160 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.737 -2.870 20.934 1.00 0.00 C ATOM 0 H LEU A 22 -10.860 -1.226 20.261 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.558 -3.535 19.116 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.080 -3.071 21.701 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.007 -4.412 21.354 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.219 -1.494 21.593 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.977 -2.273 23.543 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.723 -2.576 23.705 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.622 -3.913 23.294 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.908 -2.290 21.341 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.512 -3.933 21.019 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.879 -2.612 19.885 1.00 0.00 H new ATOM 259 N ARG A 23 -12.679 -3.168 18.954 1.00 0.00 N ATOM 260 CA ARG A 23 -13.928 -3.711 18.427 1.00 0.00 C ATOM 261 C ARG A 23 -13.706 -4.098 16.967 1.00 0.00 C ATOM 262 O ARG A 23 -14.487 -4.841 16.357 1.00 0.00 O ATOM 263 CB ARG A 23 -15.019 -2.657 18.543 1.00 0.00 C ATOM 264 CG ARG A 23 -15.118 -2.090 19.944 1.00 0.00 C ATOM 265 CD ARG A 23 -16.096 -0.953 20.021 1.00 0.00 C ATOM 266 NE ARG A 23 -15.918 -0.189 21.252 1.00 0.00 N ATOM 267 CZ ARG A 23 -16.332 1.067 21.443 1.00 0.00 C ATOM 268 NH1 ARG A 23 -17.135 1.655 20.564 1.00 0.00 N ATOM 269 NH2 ARG A 23 -15.965 1.718 22.530 1.00 0.00 N ATOM 0 H ARG A 23 -12.692 -2.156 19.078 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.236 -4.592 18.991 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.818 -1.849 17.839 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.977 -3.095 18.261 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.422 -2.878 20.634 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.135 -1.746 20.266 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.965 -0.297 19.160 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.114 -1.341 19.974 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.440 -0.650 22.027 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.441 1.147 19.734 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.446 2.614 20.719 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.368 1.262 23.220 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.278 2.677 22.680 1.00 0.00 H new ATOM 283 N TYR A 24 -12.624 -3.577 16.425 1.00 0.00 N ATOM 284 CA TYR A 24 -12.169 -3.907 15.120 1.00 0.00 C ATOM 285 C TYR A 24 -11.014 -4.831 15.305 1.00 0.00 C ATOM 286 O TYR A 24 -10.199 -4.623 16.210 1.00 0.00 O ATOM 287 CB TYR A 24 -11.689 -2.660 14.365 1.00 0.00 C ATOM 288 CG TYR A 24 -12.771 -1.741 13.854 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.554 -0.980 14.716 1.00 0.00 C ATOM 290 CD2 TYR A 24 -12.996 -1.627 12.490 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.529 -0.132 14.223 1.00 0.00 C ATOM 292 CE2 TYR A 24 -13.958 -0.780 11.991 1.00 0.00 C ATOM 293 CZ TYR A 24 -14.726 -0.036 12.855 1.00 0.00 C ATOM 294 OH TYR A 24 -15.680 0.815 12.350 1.00 0.00 O ATOM 0 H TYR A 24 -12.033 -2.897 16.904 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.977 -4.354 14.540 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -11.036 -2.089 15.025 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.083 -2.983 13.518 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.399 -1.052 15.782 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.403 -2.216 11.805 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -15.134 0.452 14.901 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -14.109 -0.700 10.925 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.684 0.758 11.372 1.00 0.00 H new ATOM 304 N GLN A 25 -10.939 -5.832 14.516 1.00 0.00 N ATOM 305 CA GLN A 25 -9.852 -6.756 14.593 1.00 0.00 C ATOM 306 C GLN A 25 -8.981 -6.617 13.387 1.00 0.00 C ATOM 307 O GLN A 25 -9.422 -6.085 12.369 1.00 0.00 O ATOM 308 CB GLN A 25 -10.324 -8.183 14.807 1.00 0.00 C ATOM 309 CG GLN A 25 -10.826 -8.436 16.215 1.00 0.00 C ATOM 310 CD GLN A 25 -11.318 -9.842 16.406 1.00 0.00 C ATOM 311 OE1 GLN A 25 -12.493 -10.123 16.225 1.00 0.00 O ATOM 312 NE2 GLN A 25 -10.438 -10.731 16.732 1.00 0.00 N ATOM 0 H GLN A 25 -11.626 -6.044 13.793 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.255 -6.512 15.472 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.121 -8.407 14.097 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.504 -8.867 14.591 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.023 -8.236 16.925 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.633 -7.738 16.441 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.466 -10.458 16.875 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.716 -11.706 16.846 1.00 0.00 H new ATOM 321 N LEU A 26 -7.765 -7.109 13.508 1.00 0.00 N ATOM 322 CA LEU A 26 -6.712 -6.932 12.517 1.00 0.00 C ATOM 323 C LEU A 26 -7.162 -7.430 11.140 1.00 0.00 C ATOM 324 O LEU A 26 -7.150 -6.684 10.156 1.00 0.00 O ATOM 325 CB LEU A 26 -5.417 -7.693 12.932 1.00 0.00 C ATOM 326 CG LEU A 26 -4.828 -7.511 14.375 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.731 -6.064 14.821 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.538 -8.374 15.420 1.00 0.00 C ATOM 0 H LEU A 26 -7.470 -7.657 14.316 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.500 -5.864 12.463 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.607 -8.757 12.791 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.636 -7.413 12.225 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.803 -7.873 14.299 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.315 -6.021 15.828 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.084 -5.515 14.137 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.724 -5.615 14.819 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.087 -8.206 16.398 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.594 -8.106 15.456 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.439 -9.426 15.151 1.00 0.00 H new ATOM 340 N GLY A 27 -7.578 -8.672 11.084 1.00 0.00 N ATOM 341 CA GLY A 27 -7.993 -9.249 9.837 1.00 0.00 C ATOM 342 C GLY A 27 -6.931 -10.147 9.248 1.00 0.00 C ATOM 343 O GLY A 27 -6.934 -10.414 8.046 1.00 0.00 O ATOM 0 H GLY A 27 -7.637 -9.298 11.887 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.908 -9.821 9.989 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.228 -8.454 9.130 1.00 0.00 H new ATOM 347 N PHE A 28 -6.005 -10.591 10.082 1.00 0.00 N ATOM 348 CA PHE A 28 -4.982 -11.516 9.657 1.00 0.00 C ATOM 349 C PHE A 28 -4.646 -12.437 10.813 1.00 0.00 C ATOM 350 O PHE A 28 -4.972 -12.136 11.971 1.00 0.00 O ATOM 351 CB PHE A 28 -3.697 -10.807 9.114 1.00 0.00 C ATOM 352 CG PHE A 28 -2.775 -10.175 10.149 1.00 0.00 C ATOM 353 CD1 PHE A 28 -3.001 -8.898 10.621 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.664 -10.868 10.623 1.00 0.00 C ATOM 355 CE1 PHE A 28 -2.148 -8.321 11.546 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.812 -10.296 11.551 1.00 0.00 C ATOM 357 CZ PHE A 28 -1.055 -9.021 12.010 1.00 0.00 C ATOM 0 H PHE A 28 -5.946 -10.320 11.063 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.376 -12.090 8.819 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.121 -11.537 8.545 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.007 -10.030 8.415 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.855 -8.341 10.264 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.465 -11.866 10.261 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.339 -7.320 11.905 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.042 -10.848 11.915 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.391 -8.570 12.732 1.00 0.00 H new ATOM 367 N SER A 29 -4.014 -13.527 10.514 1.00 0.00 N ATOM 368 CA SER A 29 -3.625 -14.484 11.510 1.00 0.00 C ATOM 369 C SER A 29 -2.132 -14.689 11.427 1.00 0.00 C ATOM 370 O SER A 29 -1.589 -14.926 10.330 1.00 0.00 O ATOM 371 CB SER A 29 -4.346 -15.796 11.260 1.00 0.00 C ATOM 372 OG SER A 29 -5.753 -15.590 11.192 1.00 0.00 O ATOM 0 H SER A 29 -3.749 -13.784 9.563 1.00 0.00 H new ATOM 0 HA SER A 29 -3.889 -14.122 12.503 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.993 -16.240 10.329 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.115 -16.502 12.058 1.00 0.00 H new ATOM 0 HG SER A 29 -6.201 -16.446 11.029 1.00 0.00 H new ATOM 378 N VAL A 30 -1.463 -14.595 12.545 1.00 0.00 N ATOM 379 CA VAL A 30 -0.041 -14.727 12.564 1.00 0.00 C ATOM 380 C VAL A 30 0.336 -15.993 13.353 1.00 0.00 C ATOM 381 O VAL A 30 -0.280 -16.313 14.384 1.00 0.00 O ATOM 382 CB VAL A 30 0.637 -13.436 13.168 1.00 0.00 C ATOM 383 CG1 VAL A 30 0.806 -13.479 14.672 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.937 -13.109 12.491 1.00 0.00 C ATOM 0 H VAL A 30 -1.888 -14.426 13.457 1.00 0.00 H new ATOM 0 HA VAL A 30 0.330 -14.828 11.544 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.066 -12.629 12.963 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.279 -12.557 15.012 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.171 -13.582 15.145 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.432 -14.329 14.944 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.366 -12.213 12.940 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.629 -13.942 12.611 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.761 -12.934 11.430 1.00 0.00 H new ATOM 394 N GLN A 31 1.266 -16.731 12.843 1.00 0.00 N ATOM 395 CA GLN A 31 1.766 -17.908 13.499 1.00 0.00 C ATOM 396 C GLN A 31 3.243 -17.782 13.707 1.00 0.00 C ATOM 397 O GLN A 31 4.007 -17.659 12.749 1.00 0.00 O ATOM 398 CB GLN A 31 1.448 -19.184 12.732 1.00 0.00 C ATOM 399 CG GLN A 31 -0.008 -19.592 12.779 1.00 0.00 C ATOM 400 CD GLN A 31 -0.220 -20.943 12.160 1.00 0.00 C ATOM 401 OE1 GLN A 31 -0.507 -21.070 10.975 1.00 0.00 O ATOM 402 NE2 GLN A 31 -0.030 -21.960 12.941 1.00 0.00 N ATOM 0 H GLN A 31 1.711 -16.536 11.946 1.00 0.00 H new ATOM 0 HA GLN A 31 1.262 -17.984 14.462 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.743 -19.051 11.691 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.054 -19.996 13.134 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.350 -19.607 13.814 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.612 -18.851 12.255 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.208 -21.812 13.922 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.118 -22.908 12.575 1.00 0.00 H new ATOM 411 N ASN A 32 3.629 -17.740 14.970 1.00 0.00 N ATOM 412 CA ASN A 32 5.030 -17.636 15.418 1.00 0.00 C ATOM 413 C ASN A 32 5.698 -16.340 14.931 1.00 0.00 C ATOM 414 O ASN A 32 6.915 -16.189 15.001 1.00 0.00 O ATOM 415 CB ASN A 32 5.853 -18.881 14.989 1.00 0.00 C ATOM 416 CG ASN A 32 5.364 -20.193 15.612 1.00 0.00 C ATOM 417 OD1 ASN A 32 4.790 -20.222 16.717 1.00 0.00 O ATOM 418 ND2 ASN A 32 5.600 -21.283 14.936 1.00 0.00 N ATOM 0 H ASN A 32 2.966 -17.778 15.744 1.00 0.00 H new ATOM 0 HA ASN A 32 5.012 -17.601 16.507 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.819 -18.971 13.903 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.897 -18.727 15.263 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.313 -22.187 15.310 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.072 -21.231 14.033 1.00 0.00 H new ATOM 425 N GLY A 33 4.883 -15.391 14.497 1.00 0.00 N ATOM 426 CA GLY A 33 5.401 -14.140 13.985 1.00 0.00 C ATOM 427 C GLY A 33 5.333 -14.083 12.476 1.00 0.00 C ATOM 428 O GLY A 33 5.772 -13.125 11.863 1.00 0.00 O ATOM 0 H GLY A 33 3.866 -15.466 14.490 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.833 -13.311 14.407 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.435 -14.015 14.308 1.00 0.00 H new ATOM 432 N ILE A 34 4.766 -15.106 11.879 1.00 0.00 N ATOM 433 CA ILE A 34 4.638 -15.172 10.430 1.00 0.00 C ATOM 434 C ILE A 34 3.168 -15.196 10.056 1.00 0.00 C ATOM 435 O ILE A 34 2.414 -16.032 10.539 1.00 0.00 O ATOM 436 CB ILE A 34 5.366 -16.408 9.762 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.908 -16.387 9.947 1.00 0.00 C ATOM 438 CG2 ILE A 34 5.052 -16.472 8.269 1.00 0.00 C ATOM 439 CD1 ILE A 34 7.418 -16.688 11.340 1.00 0.00 C ATOM 0 H ILE A 34 4.382 -15.912 12.373 1.00 0.00 H new ATOM 0 HA ILE A 34 5.136 -14.283 10.044 1.00 0.00 H new ATOM 0 HB ILE A 34 4.982 -17.291 10.274 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.346 -17.110 9.258 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.275 -15.404 9.653 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.561 -17.328 7.826 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.976 -16.577 8.128 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.394 -15.557 7.786 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.507 -16.644 11.346 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.021 -15.952 12.040 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.093 -17.685 11.639 1.00 0.00 H new ATOM 451 N ILE A 35 2.770 -14.251 9.251 1.00 0.00 N ATOM 452 CA ILE A 35 1.411 -14.123 8.781 1.00 0.00 C ATOM 453 C ILE A 35 1.038 -15.350 7.965 1.00 0.00 C ATOM 454 O ILE A 35 1.657 -15.635 6.936 1.00 0.00 O ATOM 455 CB ILE A 35 1.288 -12.864 7.930 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.709 -11.662 8.778 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.158 -12.704 7.428 1.00 0.00 C ATOM 458 CD1 ILE A 35 2.031 -10.440 7.988 1.00 0.00 C ATOM 0 H ILE A 35 3.394 -13.528 8.892 1.00 0.00 H new ATOM 0 HA ILE A 35 0.732 -14.046 9.630 1.00 0.00 H new ATOM 0 HB ILE A 35 1.936 -12.935 7.057 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.908 -11.427 9.479 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.581 -11.938 9.371 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.235 -11.802 6.821 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.432 -13.570 6.826 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.833 -12.626 8.281 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.320 -9.635 8.664 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.854 -10.654 7.306 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.155 -10.136 7.415 1.00 0.00 H new ATOM 470 N CYS A 36 0.052 -16.069 8.426 1.00 0.00 N ATOM 471 CA CYS A 36 -0.321 -17.309 7.805 1.00 0.00 C ATOM 472 C CYS A 36 -1.681 -17.192 7.107 1.00 0.00 C ATOM 473 O CYS A 36 -2.033 -18.024 6.269 1.00 0.00 O ATOM 474 CB CYS A 36 -0.331 -18.410 8.866 1.00 0.00 C ATOM 475 SG CYS A 36 -0.522 -20.090 8.234 1.00 0.00 S ATOM 0 H CYS A 36 -0.512 -15.814 9.237 1.00 0.00 H new ATOM 0 HA CYS A 36 0.407 -17.561 7.034 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.600 -18.356 9.431 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.141 -18.209 9.567 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.690 -20.911 9.228 1.00 0.00 H new ATOM 481 N SER A 37 -2.434 -16.161 7.436 1.00 0.00 N ATOM 482 CA SER A 37 -3.723 -15.951 6.830 1.00 0.00 C ATOM 483 C SER A 37 -4.058 -14.468 6.867 1.00 0.00 C ATOM 484 O SER A 37 -3.548 -13.736 7.726 1.00 0.00 O ATOM 485 CB SER A 37 -4.809 -16.775 7.547 1.00 0.00 C ATOM 486 OG SER A 37 -6.066 -16.659 6.903 1.00 0.00 O ATOM 0 H SER A 37 -2.169 -15.456 8.123 1.00 0.00 H new ATOM 0 HA SER A 37 -3.689 -16.286 5.793 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.511 -17.823 7.576 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.897 -16.440 8.580 1.00 0.00 H new ATOM 0 HG SER A 37 -6.730 -17.196 7.383 1.00 0.00 H new ATOM 492 N LEU A 38 -4.889 -14.048 5.939 1.00 0.00 N ATOM 493 CA LEU A 38 -5.329 -12.679 5.792 1.00 0.00 C ATOM 494 C LEU A 38 -6.764 -12.700 5.284 1.00 0.00 C ATOM 495 O LEU A 38 -7.153 -13.634 4.565 1.00 0.00 O ATOM 496 CB LEU A 38 -4.431 -11.953 4.772 1.00 0.00 C ATOM 497 CG LEU A 38 -4.795 -10.498 4.452 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.700 -9.638 5.682 1.00 0.00 C ATOM 499 CD2 LEU A 38 -3.904 -9.951 3.364 1.00 0.00 C ATOM 0 H LEU A 38 -5.291 -14.673 5.241 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.270 -12.156 6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.407 -11.974 5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.444 -12.520 3.841 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.826 -10.481 4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.963 -8.611 5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.387 -10.012 6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.681 -9.667 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.180 -8.918 3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.865 -9.990 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.023 -10.550 2.461 1.00 0.00 H new ATOM 511 N MET A 39 -7.550 -11.736 5.670 1.00 0.00 N ATOM 512 CA MET A 39 -8.902 -11.646 5.191 1.00 0.00 C ATOM 513 C MET A 39 -9.051 -10.477 4.224 1.00 0.00 C ATOM 514 O MET A 39 -8.804 -9.312 4.581 1.00 0.00 O ATOM 515 CB MET A 39 -9.909 -11.539 6.339 1.00 0.00 C ATOM 516 CG MET A 39 -11.348 -11.498 5.859 1.00 0.00 C ATOM 517 SD MET A 39 -11.753 -12.920 4.815 1.00 0.00 S ATOM 518 CE MET A 39 -13.434 -12.529 4.358 1.00 0.00 C ATOM 0 H MET A 39 -7.277 -10.997 6.318 1.00 0.00 H new ATOM 0 HA MET A 39 -9.123 -12.569 4.656 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.779 -12.388 7.010 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.698 -10.640 6.918 1.00 0.00 H new ATOM 0 HG2 MET A 39 -12.017 -11.477 6.719 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.518 -10.578 5.300 1.00 0.00 H new ATOM 0 HE1 MET A 39 -13.827 -13.314 3.712 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.048 -12.457 5.256 1.00 0.00 H new ATOM 0 HE3 MET A 39 -13.455 -11.577 3.827 1.00 0.00 H new ATOM 528 N ARG A 40 -9.425 -10.798 3.003 1.00 0.00 N ATOM 529 CA ARG A 40 -9.645 -9.824 1.950 1.00 0.00 C ATOM 530 C ARG A 40 -10.760 -8.858 2.345 1.00 0.00 C ATOM 531 O ARG A 40 -11.834 -9.271 2.819 1.00 0.00 O ATOM 532 CB ARG A 40 -9.930 -10.566 0.617 1.00 0.00 C ATOM 533 CG ARG A 40 -10.195 -9.693 -0.623 1.00 0.00 C ATOM 534 CD ARG A 40 -11.640 -9.224 -0.701 1.00 0.00 C ATOM 535 NE ARG A 40 -11.879 -8.311 -1.819 1.00 0.00 N ATOM 536 CZ ARG A 40 -13.085 -7.967 -2.273 1.00 0.00 C ATOM 537 NH1 ARG A 40 -14.161 -8.661 -1.913 1.00 0.00 N ATOM 538 NH2 ARG A 40 -13.193 -6.982 -3.152 1.00 0.00 N ATOM 0 H ARG A 40 -9.588 -11.761 2.707 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.751 -9.218 1.803 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.080 -11.213 0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.794 -11.213 0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.535 -8.826 -0.602 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.950 -10.259 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.294 -10.091 -0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.907 -8.727 0.232 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.065 -7.909 -2.284 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.066 -9.461 -1.287 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.081 -8.394 -2.263 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.358 -6.494 -3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.111 -6.712 -3.505 1.00 0.00 H new ATOM 552 N GLY A 41 -10.486 -7.585 2.182 1.00 0.00 N ATOM 553 CA GLY A 41 -11.431 -6.553 2.535 1.00 0.00 C ATOM 554 C GLY A 41 -11.173 -6.024 3.925 1.00 0.00 C ATOM 555 O GLY A 41 -11.600 -4.916 4.274 1.00 0.00 O ATOM 0 H GLY A 41 -9.605 -7.237 1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.367 -5.737 1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.444 -6.950 2.477 1.00 0.00 H new ATOM 559 N GLY A 42 -10.429 -6.793 4.702 1.00 0.00 N ATOM 560 CA GLY A 42 -10.165 -6.437 6.068 1.00 0.00 C ATOM 561 C GLY A 42 -9.091 -5.391 6.168 1.00 0.00 C ATOM 562 O GLY A 42 -8.306 -5.199 5.212 1.00 0.00 O ATOM 0 H GLY A 42 -10.000 -7.668 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.079 -6.066 6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.863 -7.324 6.624 1.00 0.00 H new ATOM 566 N ILE A 43 -9.030 -4.726 7.308 1.00 0.00 N ATOM 567 CA ILE A 43 -8.052 -3.668 7.545 1.00 0.00 C ATOM 568 C ILE A 43 -6.619 -4.112 7.360 1.00 0.00 C ATOM 569 O ILE A 43 -5.801 -3.333 6.921 1.00 0.00 O ATOM 570 CB ILE A 43 -8.212 -2.923 8.903 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.912 -3.782 9.977 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.881 -1.578 8.717 1.00 0.00 C ATOM 573 CD1 ILE A 43 -9.025 -3.101 11.340 1.00 0.00 C ATOM 0 H ILE A 43 -9.653 -4.900 8.096 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.286 -2.948 6.761 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.207 -2.737 9.282 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.912 -4.040 9.627 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.364 -4.717 10.094 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.978 -1.083 9.683 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.277 -0.960 8.052 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.870 -1.721 8.282 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.528 -3.768 12.040 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.028 -2.868 11.714 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.599 -2.180 11.240 1.00 0.00 H new ATOM 585 N ALA A 44 -6.316 -5.359 7.681 1.00 0.00 N ATOM 586 CA ALA A 44 -4.970 -5.878 7.513 1.00 0.00 C ATOM 587 C ALA A 44 -4.549 -5.884 6.050 1.00 0.00 C ATOM 588 O ALA A 44 -3.427 -5.499 5.722 1.00 0.00 O ATOM 589 CB ALA A 44 -4.856 -7.249 8.113 1.00 0.00 C ATOM 0 H ALA A 44 -6.984 -6.030 8.059 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.288 -5.213 8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.841 -7.622 7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.086 -7.201 9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.558 -7.921 7.620 1.00 0.00 H new ATOM 595 N GLU A 45 -5.463 -6.270 5.169 1.00 0.00 N ATOM 596 CA GLU A 45 -5.179 -6.287 3.741 1.00 0.00 C ATOM 597 C GLU A 45 -4.935 -4.871 3.265 1.00 0.00 C ATOM 598 O GLU A 45 -3.994 -4.591 2.531 1.00 0.00 O ATOM 599 CB GLU A 45 -6.340 -6.893 2.965 1.00 0.00 C ATOM 600 CG GLU A 45 -6.141 -6.834 1.469 1.00 0.00 C ATOM 601 CD GLU A 45 -7.308 -7.339 0.704 1.00 0.00 C ATOM 602 OE1 GLU A 45 -8.372 -6.682 0.716 1.00 0.00 O ATOM 603 OE2 GLU A 45 -7.172 -8.373 0.031 1.00 0.00 O ATOM 0 H GLU A 45 -6.404 -6.574 5.418 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.293 -6.898 3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.471 -7.932 3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.258 -6.367 3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.941 -5.803 1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.260 -7.418 1.203 1.00 0.00 H new ATOM 610 N ARG A 46 -5.762 -3.982 3.743 1.00 0.00 N ATOM 611 CA ARG A 46 -5.678 -2.563 3.432 1.00 0.00 C ATOM 612 C ARG A 46 -4.469 -1.910 4.131 1.00 0.00 C ATOM 613 O ARG A 46 -4.063 -0.790 3.801 1.00 0.00 O ATOM 614 CB ARG A 46 -6.998 -1.908 3.817 1.00 0.00 C ATOM 615 CG ARG A 46 -8.141 -2.312 2.886 1.00 0.00 C ATOM 616 CD ARG A 46 -9.456 -2.510 3.628 1.00 0.00 C ATOM 617 NE ARG A 46 -9.864 -1.353 4.430 1.00 0.00 N ATOM 618 CZ ARG A 46 -10.742 -1.410 5.444 1.00 0.00 C ATOM 619 NH1 ARG A 46 -11.389 -2.549 5.710 1.00 0.00 N ATOM 620 NH2 ARG A 46 -11.001 -0.331 6.171 1.00 0.00 N ATOM 0 H ARG A 46 -6.530 -4.218 4.371 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.515 -2.422 2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.252 -2.183 4.841 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.882 -0.824 3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.271 -1.546 2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.876 -3.235 2.370 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.240 -2.733 2.905 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.367 -3.379 4.280 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.455 -0.447 4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.216 -3.378 5.142 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.055 -2.589 6.481 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.532 0.550 5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.669 -0.382 6.940 1.00 0.00 H new ATOM 634 N GLY A 47 -3.901 -2.638 5.073 1.00 0.00 N ATOM 635 CA GLY A 47 -2.724 -2.210 5.771 1.00 0.00 C ATOM 636 C GLY A 47 -1.468 -2.657 5.050 1.00 0.00 C ATOM 637 O GLY A 47 -0.362 -2.199 5.358 1.00 0.00 O ATOM 0 H GLY A 47 -4.253 -3.548 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.727 -1.124 5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.730 -2.616 6.783 1.00 0.00 H new ATOM 641 N GLY A 48 -1.633 -3.567 4.098 1.00 0.00 N ATOM 642 CA GLY A 48 -0.510 -4.026 3.316 1.00 0.00 C ATOM 643 C GLY A 48 0.064 -5.319 3.840 1.00 0.00 C ATOM 644 O GLY A 48 1.172 -5.714 3.462 1.00 0.00 O ATOM 0 H GLY A 48 -2.527 -3.994 3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.823 -4.163 2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.266 -3.261 3.315 1.00 0.00 H new ATOM 648 N VAL A 49 -0.681 -5.970 4.713 1.00 0.00 N ATOM 649 CA VAL A 49 -0.287 -7.237 5.296 1.00 0.00 C ATOM 650 C VAL A 49 -0.337 -8.325 4.220 1.00 0.00 C ATOM 651 O VAL A 49 -1.256 -8.346 3.413 1.00 0.00 O ATOM 652 CB VAL A 49 -1.252 -7.604 6.465 1.00 0.00 C ATOM 653 CG1 VAL A 49 -1.040 -9.007 6.975 1.00 0.00 C ATOM 654 CG2 VAL A 49 -1.097 -6.637 7.615 1.00 0.00 C ATOM 0 H VAL A 49 -1.585 -5.630 5.040 1.00 0.00 H new ATOM 0 HA VAL A 49 0.728 -7.158 5.687 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.260 -7.540 6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.738 -9.208 7.788 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.210 -9.718 6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.018 -9.111 7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.780 -6.914 8.418 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.072 -6.671 7.983 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.327 -5.627 7.275 1.00 0.00 H new ATOM 664 N ARG A 50 0.665 -9.184 4.187 1.00 0.00 N ATOM 665 CA ARG A 50 0.705 -10.290 3.246 1.00 0.00 C ATOM 666 C ARG A 50 1.094 -11.530 3.955 1.00 0.00 C ATOM 667 O ARG A 50 1.888 -11.507 4.899 1.00 0.00 O ATOM 668 CB ARG A 50 1.675 -10.048 2.088 1.00 0.00 C ATOM 669 CG ARG A 50 1.337 -8.863 1.215 1.00 0.00 C ATOM 670 CD ARG A 50 -0.037 -8.983 0.557 1.00 0.00 C ATOM 671 NE ARG A 50 -0.145 -10.137 -0.347 1.00 0.00 N ATOM 672 CZ ARG A 50 -0.367 -10.049 -1.673 1.00 0.00 C ATOM 673 NH1 ARG A 50 -0.357 -8.858 -2.278 1.00 0.00 N ATOM 674 NH2 ARG A 50 -0.547 -11.155 -2.392 1.00 0.00 N ATOM 0 H ARG A 50 1.472 -9.136 4.809 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.294 -10.384 2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.676 -9.908 2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.706 -10.942 1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.368 -7.954 1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.097 -8.760 0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.799 -9.064 1.332 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.247 -8.071 -0.002 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.045 -11.068 0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.181 -8.012 -1.736 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.525 -8.795 -3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.517 -12.068 -1.939 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.715 -11.089 -3.396 1.00 0.00 H new ATOM 688 N VAL A 51 0.562 -12.587 3.486 1.00 0.00 N ATOM 689 CA VAL A 51 0.757 -13.890 4.035 1.00 0.00 C ATOM 690 C VAL A 51 2.106 -14.437 3.588 1.00 0.00 C ATOM 691 O VAL A 51 2.537 -14.207 2.455 1.00 0.00 O ATOM 692 CB VAL A 51 -0.402 -14.807 3.595 1.00 0.00 C ATOM 693 CG1 VAL A 51 -0.162 -16.257 3.962 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.692 -14.340 4.217 1.00 0.00 C ATOM 0 H VAL A 51 -0.052 -12.581 2.671 1.00 0.00 H new ATOM 0 HA VAL A 51 0.760 -13.844 5.124 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.464 -14.746 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.007 -16.861 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.748 -16.609 3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.055 -16.346 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.506 -14.993 3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.604 -14.369 5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.901 -13.319 3.898 1.00 0.00 H new ATOM 704 N GLY A 52 2.774 -15.127 4.479 1.00 0.00 N ATOM 705 CA GLY A 52 4.096 -15.621 4.190 1.00 0.00 C ATOM 706 C GLY A 52 5.119 -14.570 4.524 1.00 0.00 C ATOM 707 O GLY A 52 6.207 -14.523 3.956 1.00 0.00 O ATOM 0 H GLY A 52 2.424 -15.359 5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.290 -16.526 4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.170 -15.892 3.137 1.00 0.00 H new ATOM 711 N HIS A 53 4.742 -13.695 5.418 1.00 0.00 N ATOM 712 CA HIS A 53 5.593 -12.626 5.870 1.00 0.00 C ATOM 713 C HIS A 53 5.854 -12.737 7.342 1.00 0.00 C ATOM 714 O HIS A 53 4.941 -12.981 8.118 1.00 0.00 O ATOM 715 CB HIS A 53 4.997 -11.243 5.550 1.00 0.00 C ATOM 716 CG HIS A 53 5.297 -10.726 4.174 1.00 0.00 C ATOM 717 ND1 HIS A 53 5.704 -9.423 3.924 1.00 0.00 N ATOM 718 CD2 HIS A 53 5.244 -11.332 2.967 1.00 0.00 C ATOM 719 CE1 HIS A 53 5.889 -9.269 2.626 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.616 -10.410 2.033 1.00 0.00 N ATOM 0 H HIS A 53 3.822 -13.705 5.859 1.00 0.00 H new ATOM 0 HA HIS A 53 6.536 -12.721 5.331 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.915 -11.292 5.675 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.370 -10.525 6.281 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.839 -8.700 4.630 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.960 -12.356 2.777 1.00 0.00 H new ATOM 0 HE1 HIS A 53 6.210 -8.362 2.136 1.00 0.00 H new ATOM 729 N ARG A 54 7.097 -12.566 7.719 1.00 0.00 N ATOM 730 CA ARG A 54 7.476 -12.575 9.113 1.00 0.00 C ATOM 731 C ARG A 54 7.453 -11.158 9.580 1.00 0.00 C ATOM 732 O ARG A 54 8.109 -10.304 8.976 1.00 0.00 O ATOM 733 CB ARG A 54 8.900 -13.134 9.339 1.00 0.00 C ATOM 734 CG ARG A 54 9.297 -13.150 10.816 1.00 0.00 C ATOM 735 CD ARG A 54 10.790 -13.394 11.052 1.00 0.00 C ATOM 736 NE ARG A 54 11.309 -14.643 10.479 1.00 0.00 N ATOM 737 CZ ARG A 54 11.375 -15.827 11.110 1.00 0.00 C ATOM 738 NH1 ARG A 54 10.821 -15.994 12.308 1.00 0.00 N ATOM 739 NH2 ARG A 54 12.014 -16.831 10.536 1.00 0.00 N ATOM 0 H ARG A 54 7.872 -12.417 7.073 1.00 0.00 H new ATOM 0 HA ARG A 54 6.783 -13.216 9.658 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.956 -14.147 8.940 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.616 -12.531 8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.018 -12.198 11.268 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.726 -13.925 11.328 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.351 -12.558 10.633 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.978 -13.398 12.126 1.00 0.00 H new ATOM 0 HE ARG A 54 11.649 -14.608 9.518 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.338 -15.217 12.759 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.879 -16.899 12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.451 -16.702 9.623 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.071 -17.735 11.006 1.00 0.00 H new ATOM 753 N ILE A 55 6.701 -10.888 10.590 1.00 0.00 N ATOM 754 CA ILE A 55 6.685 -9.580 11.156 1.00 0.00 C ATOM 755 C ILE A 55 7.900 -9.430 12.035 1.00 0.00 C ATOM 756 O ILE A 55 8.158 -10.264 12.899 1.00 0.00 O ATOM 757 CB ILE A 55 5.438 -9.312 12.001 1.00 0.00 C ATOM 758 CG1 ILE A 55 4.170 -9.616 11.222 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.435 -7.857 12.450 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.938 -9.298 12.005 1.00 0.00 C ATOM 0 H ILE A 55 6.084 -11.560 11.046 1.00 0.00 H new ATOM 0 HA ILE A 55 6.682 -8.864 10.334 1.00 0.00 H new ATOM 0 HB ILE A 55 5.463 -9.968 12.871 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.168 -9.042 10.295 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.160 -10.670 10.944 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.547 -7.664 13.052 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.327 -7.658 13.044 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.429 -7.206 11.576 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.057 -9.532 11.408 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.924 -9.892 12.919 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.933 -8.238 12.260 1.00 0.00 H new ATOM 772 N ILE A 56 8.663 -8.416 11.789 1.00 0.00 N ATOM 773 CA ILE A 56 9.820 -8.177 12.560 1.00 0.00 C ATOM 774 C ILE A 56 9.621 -7.096 13.584 1.00 0.00 C ATOM 775 O ILE A 56 10.375 -7.018 14.549 1.00 0.00 O ATOM 776 CB ILE A 56 11.080 -7.911 11.725 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.978 -6.614 10.952 1.00 0.00 C ATOM 778 CG2 ILE A 56 11.319 -9.066 10.764 1.00 0.00 C ATOM 779 CD1 ILE A 56 12.250 -6.255 10.283 1.00 0.00 C ATOM 0 H ILE A 56 8.495 -7.736 11.048 1.00 0.00 H new ATOM 0 HA ILE A 56 9.991 -9.114 13.090 1.00 0.00 H new ATOM 0 HB ILE A 56 11.921 -7.824 12.413 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.189 -6.700 10.205 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.688 -5.812 11.630 1.00 0.00 H new ATOM 0 HG21 ILE A 56 12.215 -8.870 10.175 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.451 -9.988 11.329 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.462 -9.168 10.098 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.125 -5.317 9.742 1.00 0.00 H new ATOM 0 HD12 ILE A 56 13.035 -6.140 11.031 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.528 -7.043 9.583 1.00 0.00 H new ATOM 791 N GLU A 57 8.580 -6.304 13.429 1.00 0.00 N ATOM 792 CA GLU A 57 8.375 -5.184 14.334 1.00 0.00 C ATOM 793 C GLU A 57 6.942 -4.791 14.312 1.00 0.00 C ATOM 794 O GLU A 57 6.309 -4.903 13.283 1.00 0.00 O ATOM 795 CB GLU A 57 9.256 -4.003 13.919 1.00 0.00 C ATOM 796 CG GLU A 57 9.228 -2.817 14.858 1.00 0.00 C ATOM 797 CD GLU A 57 10.096 -1.697 14.363 1.00 0.00 C ATOM 798 OE1 GLU A 57 11.330 -1.811 14.416 1.00 0.00 O ATOM 799 OE2 GLU A 57 9.564 -0.682 13.889 1.00 0.00 O ATOM 0 H GLU A 57 7.873 -6.408 12.701 1.00 0.00 H new ATOM 0 HA GLU A 57 8.651 -5.480 15.346 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.285 -4.352 13.830 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.946 -3.669 12.929 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.203 -2.463 14.966 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.564 -3.128 15.847 1.00 0.00 H new ATOM 806 N ILE A 58 6.441 -4.387 15.452 1.00 0.00 N ATOM 807 CA ILE A 58 5.080 -3.933 15.625 1.00 0.00 C ATOM 808 C ILE A 58 5.081 -2.812 16.629 1.00 0.00 C ATOM 809 O ILE A 58 5.651 -2.959 17.697 1.00 0.00 O ATOM 810 CB ILE A 58 4.170 -5.046 16.198 1.00 0.00 C ATOM 811 CG1 ILE A 58 4.074 -6.226 15.246 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.766 -4.491 16.510 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.530 -7.465 15.889 1.00 0.00 C ATOM 0 H ILE A 58 6.985 -4.363 16.314 1.00 0.00 H new ATOM 0 HA ILE A 58 4.703 -3.626 14.649 1.00 0.00 H new ATOM 0 HB ILE A 58 4.621 -5.399 17.126 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.438 -5.953 14.404 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.064 -6.439 14.842 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.141 -5.288 16.912 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.847 -3.688 17.243 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.317 -4.103 15.596 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.488 -8.268 15.153 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.178 -7.761 16.714 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.527 -7.268 16.268 1.00 0.00 H new ATOM 825 N ASN A 59 4.523 -1.689 16.250 1.00 0.00 N ATOM 826 CA ASN A 59 4.248 -0.551 17.159 1.00 0.00 C ATOM 827 C ASN A 59 5.538 0.021 17.806 1.00 0.00 C ATOM 828 O ASN A 59 5.487 0.760 18.781 1.00 0.00 O ATOM 829 CB ASN A 59 3.207 -1.009 18.229 1.00 0.00 C ATOM 830 CG ASN A 59 2.531 0.110 19.021 1.00 0.00 C ATOM 831 OD1 ASN A 59 2.979 0.510 20.105 1.00 0.00 O ATOM 832 ND2 ASN A 59 1.441 0.610 18.489 1.00 0.00 N ATOM 0 H ASN A 59 4.233 -1.515 15.288 1.00 0.00 H new ATOM 0 HA ASN A 59 3.832 0.272 16.578 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.434 -1.593 17.730 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.706 -1.676 18.932 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.933 1.353 18.970 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.101 0.256 17.595 1.00 0.00 H new ATOM 839 N GLY A 60 6.676 -0.275 17.219 1.00 0.00 N ATOM 840 CA GLY A 60 7.931 0.211 17.749 1.00 0.00 C ATOM 841 C GLY A 60 8.745 -0.847 18.459 1.00 0.00 C ATOM 842 O GLY A 60 9.844 -0.571 18.954 1.00 0.00 O ATOM 0 H GLY A 60 6.759 -0.847 16.379 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.523 0.625 16.933 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.730 1.027 18.443 1.00 0.00 H new ATOM 846 N GLN A 61 8.242 -2.048 18.523 1.00 0.00 N ATOM 847 CA GLN A 61 8.975 -3.106 19.165 1.00 0.00 C ATOM 848 C GLN A 61 9.264 -4.202 18.186 1.00 0.00 C ATOM 849 O GLN A 61 8.384 -4.604 17.415 1.00 0.00 O ATOM 850 CB GLN A 61 8.277 -3.636 20.435 1.00 0.00 C ATOM 851 CG GLN A 61 6.874 -4.167 20.226 1.00 0.00 C ATOM 852 CD GLN A 61 6.306 -4.779 21.475 1.00 0.00 C ATOM 853 OE1 GLN A 61 6.464 -5.978 21.720 1.00 0.00 O ATOM 854 NE2 GLN A 61 5.671 -3.982 22.290 1.00 0.00 N ATOM 0 H GLN A 61 7.335 -2.319 18.142 1.00 0.00 H new ATOM 0 HA GLN A 61 9.922 -2.688 19.506 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.889 -4.430 20.862 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.238 -2.833 21.171 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.226 -3.356 19.894 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.884 -4.912 19.431 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.559 -2.996 22.055 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.286 -4.345 23.162 1.00 0.00 H new ATOM 863 N SER A 62 10.489 -4.645 18.171 1.00 0.00 N ATOM 864 CA SER A 62 10.888 -5.703 17.308 1.00 0.00 C ATOM 865 C SER A 62 10.350 -7.006 17.889 1.00 0.00 C ATOM 866 O SER A 62 10.838 -7.497 18.906 1.00 0.00 O ATOM 867 CB SER A 62 12.413 -5.721 17.194 1.00 0.00 C ATOM 868 OG SER A 62 12.911 -4.438 16.772 1.00 0.00 O ATOM 0 H SER A 62 11.235 -4.277 18.761 1.00 0.00 H new ATOM 0 HA SER A 62 10.488 -5.568 16.303 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.851 -5.987 18.156 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.720 -6.487 16.482 1.00 0.00 H new ATOM 0 HG SER A 62 13.888 -4.472 16.707 1.00 0.00 H new ATOM 874 N VAL A 63 9.345 -7.563 17.244 1.00 0.00 N ATOM 875 CA VAL A 63 8.649 -8.702 17.764 1.00 0.00 C ATOM 876 C VAL A 63 9.146 -9.956 17.105 1.00 0.00 C ATOM 877 O VAL A 63 8.594 -11.035 17.271 1.00 0.00 O ATOM 878 CB VAL A 63 7.140 -8.547 17.548 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.656 -7.253 18.203 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.822 -8.559 16.064 1.00 0.00 C ATOM 0 H VAL A 63 8.995 -7.232 16.345 1.00 0.00 H new ATOM 0 HA VAL A 63 8.840 -8.771 18.835 1.00 0.00 H new ATOM 0 HB VAL A 63 6.619 -9.384 18.012 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.582 -7.146 18.047 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.866 -7.286 19.272 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.174 -6.404 17.757 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.747 -8.448 15.921 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.340 -7.734 15.574 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.150 -9.503 15.629 1.00 0.00 H new ATOM 890 N VAL A 64 10.241 -9.805 16.422 1.00 0.00 N ATOM 891 CA VAL A 64 10.840 -10.857 15.665 1.00 0.00 C ATOM 892 C VAL A 64 11.363 -11.984 16.581 1.00 0.00 C ATOM 893 O VAL A 64 11.520 -13.127 16.166 1.00 0.00 O ATOM 894 CB VAL A 64 11.953 -10.275 14.770 1.00 0.00 C ATOM 895 CG1 VAL A 64 13.228 -9.959 15.526 1.00 0.00 C ATOM 896 CG2 VAL A 64 12.175 -11.117 13.558 1.00 0.00 C ATOM 0 H VAL A 64 10.753 -8.924 16.376 1.00 0.00 H new ATOM 0 HA VAL A 64 10.084 -11.310 15.024 1.00 0.00 H new ATOM 0 HB VAL A 64 11.598 -9.307 14.417 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.969 -9.553 14.837 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.017 -9.226 16.305 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.617 -10.870 15.981 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.966 -10.678 12.950 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.467 -12.122 13.862 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.255 -11.167 12.976 1.00 0.00 H new ATOM 906 N ALA A 65 11.572 -11.647 17.837 1.00 0.00 N ATOM 907 CA ALA A 65 12.040 -12.587 18.826 1.00 0.00 C ATOM 908 C ALA A 65 11.004 -12.715 19.939 1.00 0.00 C ATOM 909 O ALA A 65 11.255 -13.309 20.985 1.00 0.00 O ATOM 910 CB ALA A 65 13.370 -12.119 19.374 1.00 0.00 C ATOM 0 H ALA A 65 11.420 -10.706 18.199 1.00 0.00 H new ATOM 0 HA ALA A 65 12.179 -13.568 18.372 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.725 -12.828 20.122 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.095 -12.053 18.563 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.249 -11.138 19.833 1.00 0.00 H new ATOM 916 N THR A 66 9.843 -12.184 19.683 1.00 0.00 N ATOM 917 CA THR A 66 8.766 -12.161 20.600 1.00 0.00 C ATOM 918 C THR A 66 7.874 -13.392 20.330 1.00 0.00 C ATOM 919 O THR A 66 7.664 -13.753 19.174 1.00 0.00 O ATOM 920 CB THR A 66 8.023 -10.823 20.363 1.00 0.00 C ATOM 921 OG1 THR A 66 8.963 -9.751 20.571 1.00 0.00 O ATOM 922 CG2 THR A 66 6.868 -10.619 21.285 1.00 0.00 C ATOM 0 H THR A 66 9.623 -11.740 18.791 1.00 0.00 H new ATOM 0 HA THR A 66 9.082 -12.215 21.642 1.00 0.00 H new ATOM 0 HB THR A 66 7.626 -10.842 19.348 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.488 -8.958 20.897 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.392 -9.663 21.066 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.146 -11.424 21.148 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.221 -10.620 22.316 1.00 0.00 H new ATOM 930 N PRO A 67 7.425 -14.102 21.380 1.00 0.00 N ATOM 931 CA PRO A 67 6.572 -15.284 21.217 1.00 0.00 C ATOM 932 C PRO A 67 5.128 -14.921 20.843 1.00 0.00 C ATOM 933 O PRO A 67 4.698 -13.759 21.013 1.00 0.00 O ATOM 934 CB PRO A 67 6.619 -15.948 22.594 1.00 0.00 C ATOM 935 CG PRO A 67 6.874 -14.827 23.539 1.00 0.00 C ATOM 936 CD PRO A 67 7.739 -13.844 22.801 1.00 0.00 C ATOM 0 HA PRO A 67 6.918 -15.926 20.407 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.681 -16.455 22.823 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.408 -16.699 22.646 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.939 -14.363 23.854 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.372 -15.184 24.440 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.508 -12.817 23.082 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.796 -14.002 23.013 1.00 0.00 H new ATOM 944 N HIS A 68 4.393 -15.936 20.366 1.00 0.00 N ATOM 945 CA HIS A 68 2.996 -15.855 19.915 1.00 0.00 C ATOM 946 C HIS A 68 2.143 -15.029 20.849 1.00 0.00 C ATOM 947 O HIS A 68 1.508 -14.084 20.417 1.00 0.00 O ATOM 948 CB HIS A 68 2.401 -17.301 19.794 1.00 0.00 C ATOM 949 CG HIS A 68 0.916 -17.403 19.434 1.00 0.00 C ATOM 950 ND1 HIS A 68 0.458 -17.961 18.265 1.00 0.00 N ATOM 951 CD2 HIS A 68 -0.201 -17.045 20.122 1.00 0.00 C ATOM 952 CE1 HIS A 68 -0.860 -17.932 18.247 1.00 0.00 C ATOM 953 NE2 HIS A 68 -1.278 -17.380 19.365 1.00 0.00 N ATOM 0 H HIS A 68 4.773 -16.879 20.280 1.00 0.00 H new ATOM 0 HA HIS A 68 2.989 -15.362 18.943 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.972 -17.843 19.040 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.558 -17.814 20.743 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.227 -16.578 21.096 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.489 -18.299 17.450 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.253 -17.228 19.622 1.00 0.00 H new ATOM 962 N GLU A 69 2.139 -15.401 22.111 1.00 0.00 N ATOM 963 CA GLU A 69 1.284 -14.788 23.115 1.00 0.00 C ATOM 964 C GLU A 69 1.483 -13.295 23.169 1.00 0.00 C ATOM 965 O GLU A 69 0.513 -12.539 23.174 1.00 0.00 O ATOM 966 CB GLU A 69 1.578 -15.375 24.470 1.00 0.00 C ATOM 967 CG GLU A 69 0.751 -14.785 25.593 1.00 0.00 C ATOM 968 CD GLU A 69 1.114 -15.328 26.940 1.00 0.00 C ATOM 969 OE1 GLU A 69 2.202 -15.001 27.454 1.00 0.00 O ATOM 970 OE2 GLU A 69 0.317 -16.089 27.518 1.00 0.00 O ATOM 0 H GLU A 69 2.734 -16.145 22.477 1.00 0.00 H new ATOM 0 HA GLU A 69 0.250 -14.991 22.838 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.406 -16.451 24.433 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.634 -15.229 24.696 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.877 -13.702 25.599 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.304 -14.982 25.401 1.00 0.00 H new ATOM 977 N LYS A 70 2.731 -12.887 23.170 1.00 0.00 N ATOM 978 CA LYS A 70 3.075 -11.493 23.237 1.00 0.00 C ATOM 979 C LYS A 70 2.635 -10.784 22.011 1.00 0.00 C ATOM 980 O LYS A 70 1.854 -9.856 22.096 1.00 0.00 O ATOM 981 CB LYS A 70 4.572 -11.304 23.457 1.00 0.00 C ATOM 982 CG LYS A 70 4.965 -11.141 24.896 1.00 0.00 C ATOM 983 CD LYS A 70 4.510 -12.296 25.733 1.00 0.00 C ATOM 984 CE LYS A 70 4.706 -11.982 27.169 1.00 0.00 C ATOM 985 NZ LYS A 70 4.258 -13.099 28.023 1.00 0.00 N ATOM 0 H LYS A 70 3.533 -13.515 23.124 1.00 0.00 H new ATOM 0 HA LYS A 70 2.553 -11.062 24.091 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.100 -12.163 23.042 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.902 -10.427 22.900 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.048 -11.045 24.968 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.537 -10.218 25.287 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.459 -12.507 25.537 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.070 -13.193 25.467 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.759 -11.775 27.359 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.152 -11.079 27.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.939 -12.728 28.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.472 -13.598 27.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.047 -13.760 28.172 1.00 0.00 H new ATOM 999 N ILE A 71 3.069 -11.286 20.873 1.00 0.00 N ATOM 1000 CA ILE A 71 2.741 -10.701 19.579 1.00 0.00 C ATOM 1001 C ILE A 71 1.228 -10.519 19.460 1.00 0.00 C ATOM 1002 O ILE A 71 0.752 -9.463 19.062 1.00 0.00 O ATOM 1003 CB ILE A 71 3.261 -11.583 18.401 1.00 0.00 C ATOM 1004 CG1 ILE A 71 4.771 -11.793 18.518 1.00 0.00 C ATOM 1005 CG2 ILE A 71 2.949 -10.934 17.066 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.370 -12.633 17.404 1.00 0.00 C ATOM 0 H ILE A 71 3.662 -12.114 20.814 1.00 0.00 H new ATOM 0 HA ILE A 71 3.235 -9.731 19.516 1.00 0.00 H new ATOM 0 HB ILE A 71 2.755 -12.547 18.456 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.262 -10.820 18.529 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.987 -12.270 19.474 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.320 -11.566 16.259 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.871 -10.811 16.964 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.432 -9.958 17.014 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.444 -12.734 17.562 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.909 -13.621 17.405 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.188 -12.148 16.445 1.00 0.00 H new ATOM 1018 N VAL A 72 0.488 -11.518 19.910 1.00 0.00 N ATOM 1019 CA VAL A 72 -0.956 -11.472 19.848 1.00 0.00 C ATOM 1020 C VAL A 72 -1.533 -10.479 20.866 1.00 0.00 C ATOM 1021 O VAL A 72 -2.392 -9.683 20.521 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.578 -12.882 20.033 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -3.088 -12.812 20.155 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -1.202 -13.765 18.858 1.00 0.00 C ATOM 0 H VAL A 72 0.868 -12.370 20.322 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.224 -11.118 18.852 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.184 -13.305 20.957 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.490 -13.817 20.283 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.355 -12.202 21.017 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.506 -12.367 19.252 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.640 -14.754 18.991 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.578 -13.323 17.935 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.117 -13.854 18.802 1.00 0.00 H new ATOM 1034 N HIS A 73 -1.006 -10.489 22.086 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.503 -9.622 23.172 1.00 0.00 C ATOM 1036 C HIS A 73 -1.261 -8.167 22.831 1.00 0.00 C ATOM 1037 O HIS A 73 -2.126 -7.320 23.006 1.00 0.00 O ATOM 1038 CB HIS A 73 -0.819 -9.995 24.516 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.146 -9.100 25.696 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -2.239 -9.275 26.517 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -0.482 -8.038 26.200 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -2.224 -8.363 27.462 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -1.174 -7.607 27.293 1.00 0.00 N ATOM 0 H HIS A 73 -0.228 -11.090 22.358 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.577 -9.775 23.282 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.098 -11.017 24.772 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.261 -9.987 24.367 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.429 -7.609 25.810 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.958 -8.257 28.247 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -0.912 -6.819 27.885 1.00 0.00 H new ATOM 1052 N ILE A 74 -0.099 -7.905 22.319 1.00 0.00 N ATOM 1053 CA ILE A 74 0.310 -6.588 21.964 1.00 0.00 C ATOM 1054 C ILE A 74 -0.491 -6.083 20.756 1.00 0.00 C ATOM 1055 O ILE A 74 -0.961 -4.945 20.751 1.00 0.00 O ATOM 1056 CB ILE A 74 1.826 -6.583 21.741 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.486 -6.924 23.092 1.00 0.00 C ATOM 1058 CG2 ILE A 74 2.293 -5.227 21.236 1.00 0.00 C ATOM 1059 CD1 ILE A 74 3.766 -7.697 22.982 1.00 0.00 C ATOM 0 H ILE A 74 0.605 -8.619 22.133 1.00 0.00 H new ATOM 0 HA ILE A 74 0.097 -5.888 22.772 1.00 0.00 H new ATOM 0 HB ILE A 74 2.105 -7.316 20.984 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.682 -5.997 23.631 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.780 -7.498 23.692 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.372 -5.247 21.085 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.798 -5.000 20.291 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.044 -4.460 21.969 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.160 -7.893 23.979 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.577 -8.643 22.474 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.493 -7.118 22.412 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.695 -6.950 19.766 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.576 -6.609 18.625 1.00 0.00 C ATOM 1073 C LEU A 75 -3.000 -6.358 19.097 1.00 0.00 C ATOM 1074 O LEU A 75 -3.623 -5.387 18.713 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.587 -7.706 17.548 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.339 -7.826 16.685 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.457 -9.025 15.757 1.00 0.00 C ATOM 1078 CD2 LEU A 75 -0.134 -6.549 15.881 1.00 0.00 C ATOM 0 H LEU A 75 -0.276 -7.879 19.720 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.169 -5.700 18.182 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.755 -8.664 18.039 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.439 -7.531 16.892 1.00 0.00 H new ATOM 0 HG LEU A 75 0.526 -7.972 17.332 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.441 -9.101 15.144 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.570 -9.933 16.349 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.327 -8.901 15.112 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.761 -6.645 15.267 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.998 -6.381 15.238 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.018 -5.705 16.561 1.00 0.00 H new ATOM 1090 N SER A 76 -3.485 -7.240 19.938 1.00 0.00 N ATOM 1091 CA SER A 76 -4.819 -7.180 20.503 1.00 0.00 C ATOM 1092 C SER A 76 -5.035 -5.895 21.325 1.00 0.00 C ATOM 1093 O SER A 76 -6.160 -5.425 21.449 1.00 0.00 O ATOM 1094 CB SER A 76 -5.096 -8.438 21.362 1.00 0.00 C ATOM 1095 OG SER A 76 -6.448 -8.495 21.801 1.00 0.00 O ATOM 0 H SER A 76 -2.948 -8.045 20.260 1.00 0.00 H new ATOM 0 HA SER A 76 -5.530 -7.157 19.677 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.865 -9.331 20.782 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.433 -8.440 22.227 1.00 0.00 H new ATOM 0 HG SER A 76 -6.584 -9.303 22.338 1.00 0.00 H new ATOM 1101 N ASN A 77 -3.979 -5.339 21.884 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.108 -4.108 22.654 1.00 0.00 C ATOM 1103 C ASN A 77 -3.986 -2.873 21.779 1.00 0.00 C ATOM 1104 O ASN A 77 -4.682 -1.880 21.997 1.00 0.00 O ATOM 1105 CB ASN A 77 -3.072 -4.004 23.783 1.00 0.00 C ATOM 1106 CG ASN A 77 -3.212 -5.023 24.900 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -4.401 -5.493 25.160 1.00 0.00 O flip ATOM 1108 ND2 ASN A 77 -2.229 -5.372 25.547 1.00 0.00 N flip ATOM 0 H ASN A 77 -3.031 -5.711 21.824 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.106 -4.151 23.091 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.077 -4.102 23.349 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.133 -3.006 24.217 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.310 -4.990 25.324 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.331 -6.044 26.307 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.130 -2.935 20.791 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.808 -1.773 19.994 1.00 0.00 C ATOM 1117 C ALA A 78 -3.873 -1.435 18.960 1.00 0.00 C ATOM 1118 O ALA A 78 -4.422 -2.318 18.290 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.411 -1.899 19.361 1.00 0.00 C ATOM 0 H ALA A 78 -2.638 -3.785 20.516 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.789 -0.927 20.681 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.199 -1.009 18.768 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.663 -1.998 20.147 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.381 -2.779 18.719 1.00 0.00 H new ATOM 1125 N VAL A 79 -4.173 -0.146 18.867 1.00 0.00 N ATOM 1126 CA VAL A 79 -5.094 0.386 17.879 1.00 0.00 C ATOM 1127 C VAL A 79 -4.420 1.609 17.216 1.00 0.00 C ATOM 1128 O VAL A 79 -3.323 2.023 17.635 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.510 0.804 18.487 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -6.939 -0.062 19.600 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.651 2.259 18.851 1.00 0.00 C ATOM 0 H VAL A 79 -3.778 0.564 19.483 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.304 -0.401 17.154 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.192 0.646 17.651 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.908 0.274 19.970 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.021 -1.091 19.250 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.206 -0.010 20.405 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.648 2.438 19.254 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.904 2.521 19.600 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.504 2.872 17.962 1.00 0.00 H new ATOM 1141 N GLY A 80 -5.061 2.173 16.223 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.559 3.334 15.552 1.00 0.00 C ATOM 1143 C GLY A 80 -3.667 2.970 14.424 1.00 0.00 C ATOM 1144 O GLY A 80 -3.830 1.898 13.833 1.00 0.00 O ATOM 0 H GLY A 80 -5.951 1.833 15.859 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.393 3.929 15.180 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.014 3.958 16.261 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.779 3.870 14.082 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.770 3.616 13.089 1.00 0.00 C ATOM 1150 C GLU A 81 -0.713 2.721 13.696 1.00 0.00 C ATOM 1151 O GLU A 81 0.051 3.144 14.576 1.00 0.00 O ATOM 1152 CB GLU A 81 -1.143 4.926 12.611 1.00 0.00 C ATOM 1153 CG GLU A 81 -2.107 5.842 11.909 1.00 0.00 C ATOM 1154 CD GLU A 81 -1.440 7.093 11.412 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -1.091 7.952 12.223 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -1.251 7.234 10.191 1.00 0.00 O ATOM 0 H GLU A 81 -2.737 4.805 14.488 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.221 3.127 12.226 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.719 5.449 13.468 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.317 4.698 11.937 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.560 5.315 11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.914 6.109 12.591 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.684 1.501 13.256 1.00 0.00 N ATOM 1164 CA ILE A 82 0.227 0.528 13.807 1.00 0.00 C ATOM 1165 C ILE A 82 1.249 0.163 12.770 1.00 0.00 C ATOM 1166 O ILE A 82 0.907 -0.337 11.689 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.519 -0.738 14.286 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.631 -0.337 15.264 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.459 -1.715 14.958 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.580 -1.452 15.618 1.00 0.00 C ATOM 0 H ILE A 82 -1.284 1.147 12.511 1.00 0.00 H new ATOM 0 HA ILE A 82 0.719 0.968 14.674 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.963 -1.239 13.425 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.175 0.040 16.179 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.201 0.485 14.830 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.082 -2.601 15.290 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.230 -2.006 14.245 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.924 -1.231 15.817 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.333 -1.082 16.313 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.068 -1.815 14.714 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.026 -2.267 16.084 1.00 0.00 H new ATOM 1182 N HIS A 83 2.476 0.446 13.087 1.00 0.00 N ATOM 1183 CA HIS A 83 3.603 0.159 12.233 1.00 0.00 C ATOM 1184 C HIS A 83 4.041 -1.242 12.447 1.00 0.00 C ATOM 1185 O HIS A 83 4.175 -1.680 13.580 1.00 0.00 O ATOM 1186 CB HIS A 83 4.804 1.060 12.567 1.00 0.00 C ATOM 1187 CG HIS A 83 4.768 2.460 12.077 1.00 0.00 C ATOM 1188 ND1 HIS A 83 5.817 3.017 11.405 1.00 0.00 N ATOM 1189 CD2 HIS A 83 3.839 3.427 12.186 1.00 0.00 C ATOM 1190 CE1 HIS A 83 5.542 4.254 11.107 1.00 0.00 C ATOM 1191 NE2 HIS A 83 4.345 4.537 11.568 1.00 0.00 N ATOM 0 H HIS A 83 2.734 0.894 13.966 1.00 0.00 H new ATOM 0 HA HIS A 83 3.285 0.331 11.205 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.914 1.086 13.651 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.701 0.587 12.167 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.877 3.343 12.669 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.189 4.933 10.571 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.871 5.436 11.480 1.00 0.00 H new ATOM 1200 N MET A 84 4.206 -1.956 11.395 1.00 0.00 N ATOM 1201 CA MET A 84 4.803 -3.239 11.468 1.00 0.00 C ATOM 1202 C MET A 84 5.783 -3.339 10.358 1.00 0.00 C ATOM 1203 O MET A 84 5.613 -2.704 9.323 1.00 0.00 O ATOM 1204 CB MET A 84 3.813 -4.369 11.314 1.00 0.00 C ATOM 1205 CG MET A 84 2.620 -4.360 12.241 1.00 0.00 C ATOM 1206 SD MET A 84 1.672 -5.875 12.077 1.00 0.00 S ATOM 1207 CE MET A 84 1.730 -6.058 10.303 1.00 0.00 C ATOM 0 H MET A 84 3.930 -1.667 10.456 1.00 0.00 H new ATOM 0 HA MET A 84 5.258 -3.337 12.453 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.446 -4.362 10.288 1.00 0.00 H new ATOM 0 HB3 MET A 84 4.346 -5.309 11.455 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.956 -4.246 13.272 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.986 -3.503 12.016 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.970 -6.772 9.986 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.541 -5.094 9.831 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.714 -6.420 10.007 1.00 0.00 H new ATOM 1217 N LYS A 85 6.777 -4.119 10.533 1.00 0.00 N ATOM 1218 CA LYS A 85 7.771 -4.299 9.516 1.00 0.00 C ATOM 1219 C LYS A 85 7.795 -5.751 9.213 1.00 0.00 C ATOM 1220 O LYS A 85 7.951 -6.547 10.107 1.00 0.00 O ATOM 1221 CB LYS A 85 9.137 -3.797 10.011 1.00 0.00 C ATOM 1222 CG LYS A 85 9.167 -2.299 10.316 1.00 0.00 C ATOM 1223 CD LYS A 85 10.019 -1.527 9.320 1.00 0.00 C ATOM 1224 CE LYS A 85 11.510 -1.777 9.551 1.00 0.00 C ATOM 1225 NZ LYS A 85 12.372 -0.946 8.682 1.00 0.00 N ATOM 0 H LYS A 85 6.938 -4.659 11.383 1.00 0.00 H new ATOM 0 HA LYS A 85 7.541 -3.727 8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.412 -4.348 10.910 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.892 -4.021 9.257 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.150 -1.907 10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.556 -2.142 11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.752 -1.821 8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.809 -0.461 9.408 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.750 -1.574 10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.729 -2.830 9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.371 -1.156 8.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.166 -1.157 7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.186 0.060 8.869 1.00 0.00 H new ATOM 1239 N THR A 86 7.552 -6.108 8.003 1.00 0.00 N ATOM 1240 CA THR A 86 7.489 -7.504 7.666 1.00 0.00 C ATOM 1241 C THR A 86 8.554 -7.869 6.623 1.00 0.00 C ATOM 1242 O THR A 86 8.992 -7.016 5.866 1.00 0.00 O ATOM 1243 CB THR A 86 6.065 -7.906 7.152 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.786 -7.299 5.871 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.976 -7.472 8.139 1.00 0.00 C ATOM 0 H THR A 86 7.393 -5.466 7.227 1.00 0.00 H new ATOM 0 HA THR A 86 7.691 -8.066 8.578 1.00 0.00 H new ATOM 0 HB THR A 86 6.059 -8.992 7.055 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.135 -6.383 5.860 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.999 -7.765 7.755 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.146 -7.952 9.103 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.008 -6.390 8.263 1.00 0.00 H new ATOM 1253 N MET A 87 8.982 -9.119 6.624 1.00 0.00 N ATOM 1254 CA MET A 87 9.939 -9.642 5.643 1.00 0.00 C ATOM 1255 C MET A 87 9.264 -10.830 4.968 1.00 0.00 C ATOM 1256 O MET A 87 8.252 -11.288 5.485 1.00 0.00 O ATOM 1257 CB MET A 87 11.249 -10.114 6.329 1.00 0.00 C ATOM 1258 CG MET A 87 11.971 -9.048 7.129 1.00 0.00 C ATOM 1259 SD MET A 87 13.625 -9.557 7.675 1.00 0.00 S ATOM 1260 CE MET A 87 13.268 -11.084 8.550 1.00 0.00 C ATOM 0 H MET A 87 8.678 -9.812 7.308 1.00 0.00 H new ATOM 0 HA MET A 87 10.208 -8.864 4.928 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.015 -10.948 6.991 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.926 -10.494 5.564 1.00 0.00 H new ATOM 0 HG2 MET A 87 12.058 -8.146 6.524 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.371 -8.790 8.002 1.00 0.00 H new ATOM 0 HE1 MET A 87 14.172 -11.440 9.044 1.00 0.00 H new ATOM 0 HE2 MET A 87 12.494 -10.903 9.296 1.00 0.00 H new ATOM 0 HE3 MET A 87 12.921 -11.836 7.842 1.00 0.00 H new ATOM 1270 N PRO A 88 9.799 -11.409 3.851 1.00 0.00 N ATOM 1271 CA PRO A 88 9.180 -12.583 3.162 1.00 0.00 C ATOM 1272 C PRO A 88 9.385 -13.898 3.945 1.00 0.00 C ATOM 1273 O PRO A 88 9.515 -14.985 3.367 1.00 0.00 O ATOM 1274 CB PRO A 88 9.913 -12.648 1.811 1.00 0.00 C ATOM 1275 CG PRO A 88 10.727 -11.400 1.727 1.00 0.00 C ATOM 1276 CD PRO A 88 11.010 -10.980 3.137 1.00 0.00 C ATOM 0 HA PRO A 88 8.100 -12.468 3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.547 -13.533 1.753 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.205 -12.709 0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.654 -11.578 1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.186 -10.620 1.191 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.905 -11.462 3.531 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.167 -9.904 3.215 1.00 0.00 H new ATOM 1284 N ALA A 89 9.348 -13.754 5.249 1.00 0.00 N ATOM 1285 CA ALA A 89 9.511 -14.797 6.218 1.00 0.00 C ATOM 1286 C ALA A 89 10.826 -15.501 6.102 1.00 0.00 C ATOM 1287 O ALA A 89 10.915 -16.687 5.769 1.00 0.00 O ATOM 1288 CB ALA A 89 8.319 -15.727 6.306 1.00 0.00 C ATOM 0 H ALA A 89 9.193 -12.844 5.683 1.00 0.00 H new ATOM 0 HA ALA A 89 9.542 -14.300 7.187 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.509 -16.492 7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.433 -15.157 6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.156 -16.202 5.339 1.00 0.00 H new ATOM 1294 N ALA A 90 11.842 -14.716 6.259 1.00 0.00 N ATOM 1295 CA ALA A 90 13.167 -15.203 6.367 1.00 0.00 C ATOM 1296 C ALA A 90 13.343 -15.579 7.802 1.00 0.00 C ATOM 1297 O ALA A 90 13.419 -16.777 8.128 1.00 0.00 O ATOM 1298 CB ALA A 90 14.162 -14.131 5.967 1.00 0.00 C ATOM 1299 OXT ALA A 90 13.237 -14.677 8.633 1.00 0.00 O ATOM 0 H ALA A 90 11.766 -13.700 6.316 1.00 0.00 H new ATOM 0 HA ALA A 90 13.339 -16.053 5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.175 -14.523 6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.979 -13.831 4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.049 -13.267 6.622 1.00 0.00 H new