USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 856 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 33 TYR OH : rot 180:sc= -0.099 USER MOD Set 1.2: A 67 LYS NZ :NH3+ -179:sc= 0.176 (180deg=-0.119) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 151:sc= -0.908 (180deg=-2.1!) USER MOD Single : A 16 ASN : amide:sc=-0.00598 X(o=-0.006,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -2.61 K(o=-2.6,f=-1.3) USER MOD Single : A 25 THR OG1 : rot 35:sc= 0.784 USER MOD Single : A 26 LYS NZ :NH3+ 140:sc= 0.475 (180deg=-2.75!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 174:sc= -0.484 USER MOD Single : A 54 TYR OH : rot 30:sc= -0.368 USER MOD Single : A 56 LYS NZ :NH3+ 154:sc= -0.374 (180deg=-1.12) USER MOD Single : A 57 SER OG : rot 73:sc= 0.112 USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= -0.299 (180deg=-0.964) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.601 K(o=-0.6,f=-0.095) USER MOD Single : A 80 GLN : amide:sc= 0.0564 X(o=0.056,f=0) USER MOD Single : A 84 THR OG1 : rot 11:sc= -6.93! USER MOD Single : A 86 LYS NZ :NH3+ 176:sc= -0.361 (180deg=-0.417) USER MOD Single : A 88 TYR OH : rot -30:sc= -1.3 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -2.54 K(o=-2.5,f=-4.1!) USER MOD Single : A 98 THR OG1 : rot 33:sc= 0.0301 USER MOD Single : A 99 TYR OH : rot 50:sc= -0.507 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -50:sc= -1.26 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.61) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 173:sc= -0.234 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 9 -3.026 10.012 4.602 1.00 0.00 N ATOM 98 CA VAL A 9 -1.881 9.109 4.593 1.00 0.00 C ATOM 99 C VAL A 9 -1.850 8.249 5.853 1.00 0.00 C ATOM 100 O VAL A 9 -2.163 8.720 6.946 1.00 0.00 O ATOM 101 CB VAL A 9 -0.555 9.887 4.483 1.00 0.00 C ATOM 102 CG1 VAL A 9 0.618 8.931 4.319 1.00 0.00 C ATOM 103 CG2 VAL A 9 -0.613 10.878 3.330 1.00 0.00 C ATOM 0 HA VAL A 9 -1.991 8.466 3.720 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.406 10.447 5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.544 9.501 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.670 8.267 5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.481 8.339 3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.331 11.419 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.787 10.341 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.425 11.585 3.498 1.00 0.00 H new ATOM 113 N THR A 10 -1.469 6.985 5.691 1.00 0.00 N ATOM 114 CA THR A 10 -1.395 6.059 6.816 1.00 0.00 C ATOM 115 C THR A 10 0.040 5.595 7.044 1.00 0.00 C ATOM 116 O THR A 10 0.668 5.024 6.151 1.00 0.00 O ATOM 117 CB THR A 10 -2.302 4.852 6.571 1.00 0.00 C ATOM 118 OG1 THR A 10 -3.638 5.265 6.345 1.00 0.00 O ATOM 119 CG2 THR A 10 -2.314 3.869 7.723 1.00 0.00 C ATOM 0 H THR A 10 -1.207 6.579 4.793 1.00 0.00 H new ATOM 0 HA THR A 10 -1.735 6.583 7.709 1.00 0.00 H new ATOM 0 HB THR A 10 -1.889 4.354 5.693 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.202 4.479 6.189 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.977 3.037 7.485 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.305 3.493 7.891 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.669 4.369 8.624 1.00 0.00 H new ATOM 127 N VAL A 11 0.553 5.844 8.244 1.00 0.00 N ATOM 128 CA VAL A 11 1.913 5.452 8.591 1.00 0.00 C ATOM 129 C VAL A 11 2.020 3.940 8.769 1.00 0.00 C ATOM 130 O VAL A 11 1.100 3.299 9.276 1.00 0.00 O ATOM 131 CB VAL A 11 2.388 6.150 9.881 1.00 0.00 C ATOM 132 CG1 VAL A 11 1.511 5.756 11.061 1.00 0.00 C ATOM 133 CG2 VAL A 11 3.848 5.825 10.161 1.00 0.00 C ATOM 0 H VAL A 11 0.046 6.316 8.993 1.00 0.00 H new ATOM 0 HA VAL A 11 2.554 5.762 7.766 1.00 0.00 H new ATOM 0 HB VAL A 11 2.300 7.227 9.738 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.864 6.260 11.961 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.480 6.049 10.862 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.560 4.677 11.207 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.164 6.327 11.075 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.965 4.748 10.280 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.463 6.167 9.329 1.00 0.00 H new ATOM 143 N VAL A 12 3.148 3.377 8.348 1.00 0.00 N ATOM 144 CA VAL A 12 3.372 1.940 8.461 1.00 0.00 C ATOM 145 C VAL A 12 4.718 1.646 9.116 1.00 0.00 C ATOM 146 O VAL A 12 5.757 1.657 8.456 1.00 0.00 O ATOM 147 CB VAL A 12 3.325 1.242 7.085 1.00 0.00 C ATOM 148 CG1 VAL A 12 2.801 -0.178 7.228 1.00 0.00 C ATOM 149 CG2 VAL A 12 2.472 2.031 6.100 1.00 0.00 C ATOM 0 H VAL A 12 3.920 3.893 7.926 1.00 0.00 H new ATOM 0 HA VAL A 12 2.567 1.548 9.083 1.00 0.00 H new ATOM 0 HB VAL A 12 4.341 1.200 6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.774 -0.656 6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.457 -0.743 7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.795 -0.154 7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.456 1.517 5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.455 2.114 6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.893 3.028 5.971 1.00 0.00 H new ATOM 159 N VAL A 13 4.691 1.377 10.417 1.00 0.00 N ATOM 160 CA VAL A 13 5.909 1.074 11.161 1.00 0.00 C ATOM 161 C VAL A 13 6.068 -0.430 11.344 1.00 0.00 C ATOM 162 O VAL A 13 5.112 -1.185 11.183 1.00 0.00 O ATOM 163 CB VAL A 13 5.912 1.754 12.545 1.00 0.00 C ATOM 164 CG1 VAL A 13 7.302 1.710 13.160 1.00 0.00 C ATOM 165 CG2 VAL A 13 5.414 3.188 12.441 1.00 0.00 C ATOM 0 H VAL A 13 3.839 1.363 10.978 1.00 0.00 H new ATOM 0 HA VAL A 13 6.745 1.462 10.579 1.00 0.00 H new ATOM 0 HB VAL A 13 5.233 1.205 13.197 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.284 2.195 14.136 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.616 0.673 13.276 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.004 2.231 12.509 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.424 3.649 13.429 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.064 3.751 11.771 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.397 3.192 12.049 1.00 0.00 H new ATOM 175 N ALA A 14 7.277 -0.864 11.679 1.00 0.00 N ATOM 176 CA ALA A 14 7.549 -2.284 11.878 1.00 0.00 C ATOM 177 C ALA A 14 6.555 -2.912 12.853 1.00 0.00 C ATOM 178 O ALA A 14 6.161 -4.068 12.694 1.00 0.00 O ATOM 179 CB ALA A 14 8.974 -2.482 12.376 1.00 0.00 C ATOM 0 H ALA A 14 8.084 -0.255 11.819 1.00 0.00 H new ATOM 0 HA ALA A 14 7.434 -2.785 10.917 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.164 -3.545 12.521 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.675 -2.084 11.642 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.105 -1.958 13.323 1.00 0.00 H new ATOM 185 N LYS A 15 6.160 -2.146 13.866 1.00 0.00 N ATOM 186 CA LYS A 15 5.219 -2.629 14.874 1.00 0.00 C ATOM 187 C LYS A 15 3.764 -2.412 14.452 1.00 0.00 C ATOM 188 O LYS A 15 2.845 -2.900 15.111 1.00 0.00 O ATOM 189 CB LYS A 15 5.481 -1.933 16.211 1.00 0.00 C ATOM 190 CG LYS A 15 6.268 -2.782 17.195 1.00 0.00 C ATOM 191 CD LYS A 15 7.075 -1.921 18.153 1.00 0.00 C ATOM 192 CE LYS A 15 8.413 -1.522 17.552 1.00 0.00 C ATOM 193 NZ LYS A 15 8.277 -0.387 16.597 1.00 0.00 N ATOM 0 H LYS A 15 6.477 -1.187 14.011 1.00 0.00 H new ATOM 0 HA LYS A 15 5.376 -3.702 14.980 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.024 -1.006 16.028 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.527 -1.660 16.662 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.583 -3.414 17.761 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.938 -3.447 16.649 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.507 -1.026 18.406 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.241 -2.466 19.082 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.101 -1.244 18.350 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.850 -2.378 17.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.158 0.165 16.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.088 -0.756 15.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.490 0.224 16.894 1.00 0.00 H new ATOM 207 N ASN A 16 3.552 -1.672 13.367 1.00 0.00 N ATOM 208 CA ASN A 16 2.199 -1.395 12.890 1.00 0.00 C ATOM 209 C ASN A 16 1.884 -2.172 11.614 1.00 0.00 C ATOM 210 O ASN A 16 0.781 -2.691 11.448 1.00 0.00 O ATOM 211 CB ASN A 16 2.025 0.104 12.640 1.00 0.00 C ATOM 212 CG ASN A 16 0.707 0.630 13.173 1.00 0.00 C ATOM 213 OD1 ASN A 16 0.671 1.351 14.170 1.00 0.00 O ATOM 214 ND2 ASN A 16 -0.385 0.271 12.508 1.00 0.00 N ATOM 0 H ASN A 16 4.294 -1.256 12.804 1.00 0.00 H new ATOM 0 HA ASN A 16 1.502 -1.719 13.663 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.846 0.646 13.110 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.085 0.300 11.570 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.301 0.595 12.819 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.308 -0.328 11.686 1.00 0.00 H new ATOM 221 N TYR A 17 2.854 -2.240 10.712 1.00 0.00 N ATOM 222 CA TYR A 17 2.674 -2.945 9.450 1.00 0.00 C ATOM 223 C TYR A 17 2.316 -4.410 9.686 1.00 0.00 C ATOM 224 O TYR A 17 1.496 -4.979 8.975 1.00 0.00 O ATOM 225 CB TYR A 17 3.947 -2.836 8.597 1.00 0.00 C ATOM 226 CG TYR A 17 4.719 -4.133 8.465 1.00 0.00 C ATOM 227 CD1 TYR A 17 5.710 -4.471 9.377 1.00 0.00 C ATOM 228 CD2 TYR A 17 4.448 -5.021 7.431 1.00 0.00 C ATOM 229 CE1 TYR A 17 6.411 -5.657 9.262 1.00 0.00 C ATOM 230 CE2 TYR A 17 5.144 -6.208 7.309 1.00 0.00 C ATOM 231 CZ TYR A 17 6.124 -6.522 8.226 1.00 0.00 C ATOM 232 OH TYR A 17 6.820 -7.703 8.109 1.00 0.00 O ATOM 0 H TYR A 17 3.774 -1.815 10.831 1.00 0.00 H new ATOM 0 HA TYR A 17 1.847 -2.479 8.914 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.675 -2.485 7.601 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.600 -2.080 9.034 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.937 -3.796 10.189 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.680 -4.779 6.711 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.179 -5.905 9.979 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.921 -6.887 6.499 1.00 0.00 H new ATOM 0 HH TYR A 17 6.496 -8.198 7.328 1.00 0.00 H new ATOM 242 N ASN A 18 2.957 -5.016 10.674 1.00 0.00 N ATOM 243 CA ASN A 18 2.728 -6.422 10.993 1.00 0.00 C ATOM 244 C ASN A 18 1.256 -6.721 11.296 1.00 0.00 C ATOM 245 O ASN A 18 0.746 -7.778 10.925 1.00 0.00 O ATOM 246 CB ASN A 18 3.605 -6.839 12.181 1.00 0.00 C ATOM 247 CG ASN A 18 3.058 -6.367 13.518 1.00 0.00 C ATOM 248 OD1 ASN A 18 2.764 -7.175 14.399 1.00 0.00 O ATOM 249 ND2 ASN A 18 2.919 -5.055 13.676 1.00 0.00 N ATOM 0 H ASN A 18 3.643 -4.556 11.272 1.00 0.00 H new ATOM 0 HA ASN A 18 3.000 -7.003 10.111 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.696 -7.925 12.195 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.609 -6.437 12.043 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.556 -4.683 14.554 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.175 -4.420 12.920 1.00 0.00 H new ATOM 256 N GLU A 19 0.585 -5.808 11.991 1.00 0.00 N ATOM 257 CA GLU A 19 -0.816 -6.012 12.361 1.00 0.00 C ATOM 258 C GLU A 19 -1.777 -5.730 11.204 1.00 0.00 C ATOM 259 O GLU A 19 -2.725 -6.484 10.984 1.00 0.00 O ATOM 260 CB GLU A 19 -1.181 -5.141 13.567 1.00 0.00 C ATOM 261 CG GLU A 19 -0.809 -3.676 13.406 1.00 0.00 C ATOM 262 CD GLU A 19 -1.389 -2.805 14.503 1.00 0.00 C ATOM 263 OE1 GLU A 19 -1.451 -3.271 15.661 1.00 0.00 O ATOM 264 OE2 GLU A 19 -1.781 -1.657 14.205 1.00 0.00 O ATOM 0 H GLU A 19 0.983 -4.924 12.309 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.924 -7.065 12.622 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.254 -5.216 13.745 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.683 -5.537 14.452 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.277 -3.578 13.405 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.162 -3.319 12.438 1.00 0.00 H new ATOM 271 N ILE A 20 -1.548 -4.640 10.480 1.00 0.00 N ATOM 272 CA ILE A 20 -2.420 -4.271 9.367 1.00 0.00 C ATOM 273 C ILE A 20 -2.335 -5.272 8.215 1.00 0.00 C ATOM 274 O ILE A 20 -3.355 -5.678 7.658 1.00 0.00 O ATOM 275 CB ILE A 20 -2.093 -2.862 8.835 1.00 0.00 C ATOM 276 CG1 ILE A 20 -0.630 -2.780 8.393 1.00 0.00 C ATOM 277 CG2 ILE A 20 -2.392 -1.813 9.897 1.00 0.00 C ATOM 278 CD1 ILE A 20 -0.219 -1.404 7.915 1.00 0.00 C ATOM 0 H ILE A 20 -0.771 -3.999 10.641 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.435 -4.279 9.763 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.723 -2.665 7.967 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.010 -3.073 9.226 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.460 -3.500 7.592 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.156 -0.823 9.507 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.448 -1.856 10.164 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.786 -2.008 10.782 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.830 -1.420 7.618 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.834 -1.117 7.062 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.357 -0.683 8.721 1.00 0.00 H new ATOM 290 N VAL A 21 -1.117 -5.657 7.857 1.00 0.00 N ATOM 291 CA VAL A 21 -0.898 -6.600 6.766 1.00 0.00 C ATOM 292 C VAL A 21 -1.359 -8.006 7.138 1.00 0.00 C ATOM 293 O VAL A 21 -1.882 -8.739 6.298 1.00 0.00 O ATOM 294 CB VAL A 21 0.588 -6.641 6.352 1.00 0.00 C ATOM 295 CG1 VAL A 21 1.076 -5.248 5.980 1.00 0.00 C ATOM 296 CG2 VAL A 21 1.446 -7.233 7.462 1.00 0.00 C ATOM 0 H VAL A 21 -0.262 -5.330 8.308 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.493 -6.249 5.923 1.00 0.00 H new ATOM 0 HB VAL A 21 0.680 -7.284 5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.126 -5.295 5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.487 -4.867 5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.965 -4.583 6.837 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.489 -7.251 7.145 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.350 -6.623 8.361 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.114 -8.249 7.676 1.00 0.00 H new ATOM 306 N LEU A 22 -1.165 -8.379 8.398 1.00 0.00 N ATOM 307 CA LEU A 22 -1.565 -9.699 8.871 1.00 0.00 C ATOM 308 C LEU A 22 -3.075 -9.772 9.094 1.00 0.00 C ATOM 309 O LEU A 22 -3.637 -10.859 9.227 1.00 0.00 O ATOM 310 CB LEU A 22 -0.828 -10.047 10.165 1.00 0.00 C ATOM 311 CG LEU A 22 0.665 -10.339 10.000 1.00 0.00 C ATOM 312 CD1 LEU A 22 1.332 -10.492 11.358 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.872 -11.589 9.159 1.00 0.00 C ATOM 0 H LEU A 22 -0.734 -7.788 9.109 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.298 -10.424 8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.946 -9.221 10.866 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.306 -10.917 10.615 1.00 0.00 H new ATOM 0 HG LEU A 22 1.126 -9.497 9.485 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.393 -10.699 11.221 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.213 -9.570 11.928 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.869 -11.316 11.900 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.939 -11.782 9.051 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.397 -12.439 9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.429 -11.442 8.174 1.00 0.00 H new ATOM 325 N ASP A 23 -3.729 -8.613 9.132 1.00 0.00 N ATOM 326 CA ASP A 23 -5.172 -8.557 9.337 1.00 0.00 C ATOM 327 C ASP A 23 -5.909 -9.319 8.239 1.00 0.00 C ATOM 328 O ASP A 23 -5.940 -8.891 7.086 1.00 0.00 O ATOM 329 CB ASP A 23 -5.648 -7.104 9.372 1.00 0.00 C ATOM 330 CG ASP A 23 -6.763 -6.885 10.375 1.00 0.00 C ATOM 331 OD1 ASP A 23 -7.938 -7.112 10.016 1.00 0.00 O ATOM 332 OD2 ASP A 23 -6.462 -6.487 11.520 1.00 0.00 O ATOM 0 H ASP A 23 -3.282 -7.702 9.024 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.395 -9.029 10.294 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.808 -6.455 9.620 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.993 -6.814 8.380 1.00 0.00 H new ATOM 337 N ASP A 24 -6.500 -10.451 8.608 1.00 0.00 N ATOM 338 CA ASP A 24 -7.238 -11.276 7.658 1.00 0.00 C ATOM 339 C ASP A 24 -8.633 -10.712 7.396 1.00 0.00 C ATOM 340 O ASP A 24 -9.317 -11.140 6.466 1.00 0.00 O ATOM 341 CB ASP A 24 -7.347 -12.711 8.175 1.00 0.00 C ATOM 342 CG ASP A 24 -7.940 -13.653 7.146 1.00 0.00 C ATOM 343 OD1 ASP A 24 -9.166 -13.586 6.916 1.00 0.00 O ATOM 344 OD2 ASP A 24 -7.179 -14.459 6.571 1.00 0.00 O ATOM 0 H ASP A 24 -6.482 -10.818 9.559 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.687 -11.272 6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.357 -13.067 8.462 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.963 -12.725 9.074 1.00 0.00 H new ATOM 349 N THR A 25 -9.055 -9.755 8.220 1.00 0.00 N ATOM 350 CA THR A 25 -10.371 -9.145 8.067 1.00 0.00 C ATOM 351 C THR A 25 -10.266 -7.727 7.505 1.00 0.00 C ATOM 352 O THR A 25 -11.227 -6.960 7.560 1.00 0.00 O ATOM 353 CB THR A 25 -11.099 -9.117 9.412 1.00 0.00 C ATOM 354 OG1 THR A 25 -10.201 -8.808 10.463 1.00 0.00 O ATOM 355 CG2 THR A 25 -11.773 -10.429 9.754 1.00 0.00 C ATOM 0 H THR A 25 -8.506 -9.387 8.997 1.00 0.00 H new ATOM 0 HA THR A 25 -10.939 -9.750 7.360 1.00 0.00 H new ATOM 0 HB THR A 25 -11.865 -8.349 9.310 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.529 -8.170 10.143 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.271 -10.341 10.720 1.00 0.00 H new ATOM 0 HG22 THR A 25 -12.509 -10.671 8.987 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.025 -11.221 9.802 1.00 0.00 H new ATOM 363 N LYS A 26 -9.099 -7.383 6.965 1.00 0.00 N ATOM 364 CA LYS A 26 -8.883 -6.057 6.396 1.00 0.00 C ATOM 365 C LYS A 26 -7.795 -6.090 5.327 1.00 0.00 C ATOM 366 O LYS A 26 -6.795 -6.795 5.466 1.00 0.00 O ATOM 367 CB LYS A 26 -8.505 -5.063 7.497 1.00 0.00 C ATOM 368 CG LYS A 26 -9.681 -4.254 8.017 1.00 0.00 C ATOM 369 CD LYS A 26 -9.927 -3.017 7.168 1.00 0.00 C ATOM 370 CE LYS A 26 -10.901 -3.302 6.036 1.00 0.00 C ATOM 371 NZ LYS A 26 -12.143 -3.963 6.525 1.00 0.00 N ATOM 0 H LYS A 26 -8.291 -8.003 6.910 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.813 -5.735 5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.054 -5.607 8.327 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.747 -4.380 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.576 -4.875 8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.491 -3.957 9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.320 -2.217 7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.982 -2.664 6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.159 -2.369 5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.419 -3.939 5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.966 -3.570 6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.085 -4.986 6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.247 -3.795 7.546 1.00 0.00 H new ATOM 385 N ASP A 27 -7.995 -5.319 4.263 1.00 0.00 N ATOM 386 CA ASP A 27 -7.030 -5.255 3.170 1.00 0.00 C ATOM 387 C ASP A 27 -6.138 -4.026 3.310 1.00 0.00 C ATOM 388 O ASP A 27 -6.629 -2.906 3.453 1.00 0.00 O ATOM 389 CB ASP A 27 -7.754 -5.224 1.823 1.00 0.00 C ATOM 390 CG ASP A 27 -7.965 -6.611 1.247 1.00 0.00 C ATOM 391 OD1 ASP A 27 -8.586 -7.450 1.933 1.00 0.00 O ATOM 392 OD2 ASP A 27 -7.509 -6.858 0.111 1.00 0.00 O ATOM 0 H ASP A 27 -8.817 -4.729 4.134 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.404 -6.146 3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.720 -4.733 1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.178 -4.625 1.118 1.00 0.00 H new ATOM 397 N VAL A 28 -4.827 -4.240 3.271 1.00 0.00 N ATOM 398 CA VAL A 28 -3.872 -3.146 3.400 1.00 0.00 C ATOM 399 C VAL A 28 -2.772 -3.239 2.347 1.00 0.00 C ATOM 400 O VAL A 28 -2.378 -4.332 1.938 1.00 0.00 O ATOM 401 CB VAL A 28 -3.231 -3.126 4.800 1.00 0.00 C ATOM 402 CG1 VAL A 28 -2.339 -1.904 4.965 1.00 0.00 C ATOM 403 CG2 VAL A 28 -4.305 -3.163 5.878 1.00 0.00 C ATOM 0 H VAL A 28 -4.402 -5.160 3.151 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.430 -2.222 3.249 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.609 -4.015 4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.896 -1.909 5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.548 -1.927 4.216 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.934 -1.000 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.834 -3.148 6.861 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.955 -2.294 5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.896 -4.073 5.772 1.00 0.00 H new ATOM 413 N LEU A 29 -2.280 -2.081 1.913 1.00 0.00 N ATOM 414 CA LEU A 29 -1.223 -2.025 0.908 1.00 0.00 C ATOM 415 C LEU A 29 -0.076 -1.134 1.378 1.00 0.00 C ATOM 416 O LEU A 29 -0.245 0.073 1.545 1.00 0.00 O ATOM 417 CB LEU A 29 -1.774 -1.504 -0.426 1.00 0.00 C ATOM 418 CG LEU A 29 -3.293 -1.597 -0.591 1.00 0.00 C ATOM 419 CD1 LEU A 29 -3.748 -0.794 -1.800 1.00 0.00 C ATOM 420 CD2 LEU A 29 -3.727 -3.050 -0.718 1.00 0.00 C ATOM 0 H LEU A 29 -2.597 -1.169 2.242 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.844 -3.036 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.476 -0.462 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.303 -2.060 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.763 -1.175 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.830 -0.872 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.470 0.252 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.270 -1.186 -2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.810 -3.097 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.248 -3.498 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.434 -3.597 0.178 1.00 0.00 H new ATOM 432 N ILE A 30 1.090 -1.737 1.590 1.00 0.00 N ATOM 433 CA ILE A 30 2.262 -0.995 2.040 1.00 0.00 C ATOM 434 C ILE A 30 3.260 -0.796 0.902 1.00 0.00 C ATOM 435 O ILE A 30 3.786 -1.761 0.348 1.00 0.00 O ATOM 436 CB ILE A 30 2.967 -1.710 3.213 1.00 0.00 C ATOM 437 CG1 ILE A 30 4.141 -0.870 3.723 1.00 0.00 C ATOM 438 CG2 ILE A 30 3.440 -3.094 2.787 1.00 0.00 C ATOM 439 CD1 ILE A 30 4.927 -1.534 4.833 1.00 0.00 C ATOM 0 H ILE A 30 1.248 -2.736 1.458 1.00 0.00 H new ATOM 0 HA ILE A 30 1.907 -0.022 2.380 1.00 0.00 H new ATOM 0 HB ILE A 30 2.252 -1.829 4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.813 -0.657 2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.763 0.088 4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.935 -3.584 3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.584 -3.690 2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.141 -3.000 1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.742 -0.880 5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.270 -1.722 5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.336 -2.479 4.475 1.00 0.00 H new ATOM 451 N GLU A 31 3.517 0.463 0.562 1.00 0.00 N ATOM 452 CA GLU A 31 4.453 0.793 -0.508 1.00 0.00 C ATOM 453 C GLU A 31 5.728 1.410 0.060 1.00 0.00 C ATOM 454 O GLU A 31 5.672 2.319 0.887 1.00 0.00 O ATOM 455 CB GLU A 31 3.801 1.754 -1.503 1.00 0.00 C ATOM 456 CG GLU A 31 4.598 1.944 -2.783 1.00 0.00 C ATOM 457 CD GLU A 31 5.641 3.038 -2.664 1.00 0.00 C ATOM 458 OE1 GLU A 31 5.274 4.169 -2.281 1.00 0.00 O ATOM 459 OE2 GLU A 31 6.824 2.764 -2.956 1.00 0.00 O ATOM 0 H GLU A 31 3.090 1.273 1.012 1.00 0.00 H new ATOM 0 HA GLU A 31 4.718 -0.128 -1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.808 1.382 -1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.666 2.723 -1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.089 1.006 -3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.916 2.184 -3.599 1.00 0.00 H new ATOM 466 N PHE A 32 6.877 0.907 -0.384 1.00 0.00 N ATOM 467 CA PHE A 32 8.163 1.409 0.090 1.00 0.00 C ATOM 468 C PHE A 32 8.821 2.317 -0.945 1.00 0.00 C ATOM 469 O PHE A 32 9.005 1.932 -2.101 1.00 0.00 O ATOM 470 CB PHE A 32 9.094 0.243 0.427 1.00 0.00 C ATOM 471 CG PHE A 32 8.868 -0.324 1.799 1.00 0.00 C ATOM 472 CD1 PHE A 32 9.318 0.348 2.924 1.00 0.00 C ATOM 473 CD2 PHE A 32 8.204 -1.529 1.964 1.00 0.00 C ATOM 474 CE1 PHE A 32 9.110 -0.170 4.188 1.00 0.00 C ATOM 475 CE2 PHE A 32 7.994 -2.053 3.225 1.00 0.00 C ATOM 476 CZ PHE A 32 8.447 -1.373 4.338 1.00 0.00 C ATOM 0 H PHE A 32 6.944 0.154 -1.069 1.00 0.00 H new ATOM 0 HA PHE A 32 7.980 1.997 0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.957 -0.547 -0.311 1.00 0.00 H new ATOM 0 HB3 PHE A 32 10.128 0.578 0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.838 1.288 2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.847 -2.065 1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.465 0.364 5.057 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.476 -2.994 3.340 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.283 -1.781 5.325 1.00 0.00 H new ATOM 486 N TYR A 33 9.176 3.525 -0.513 1.00 0.00 N ATOM 487 CA TYR A 33 9.819 4.501 -1.387 1.00 0.00 C ATOM 488 C TYR A 33 10.691 5.457 -0.575 1.00 0.00 C ATOM 489 O TYR A 33 10.654 5.450 0.655 1.00 0.00 O ATOM 490 CB TYR A 33 8.763 5.286 -2.172 1.00 0.00 C ATOM 491 CG TYR A 33 7.995 6.283 -1.333 1.00 0.00 C ATOM 492 CD1 TYR A 33 6.895 5.888 -0.582 1.00 0.00 C ATOM 493 CD2 TYR A 33 8.372 7.619 -1.292 1.00 0.00 C ATOM 494 CE1 TYR A 33 6.192 6.796 0.186 1.00 0.00 C ATOM 495 CE2 TYR A 33 7.675 8.534 -0.525 1.00 0.00 C ATOM 496 CZ TYR A 33 6.587 8.117 0.212 1.00 0.00 C ATOM 497 OH TYR A 33 5.890 9.025 0.976 1.00 0.00 O ATOM 0 H TYR A 33 9.028 3.852 0.442 1.00 0.00 H new ATOM 0 HA TYR A 33 10.456 3.966 -2.091 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.251 5.814 -2.991 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.060 4.584 -2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.584 4.854 -0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.224 7.949 -1.869 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.338 6.473 0.763 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.981 9.570 -0.503 1.00 0.00 H new ATOM 0 HH TYR A 33 6.298 9.911 0.884 1.00 0.00 H new ATOM 507 N ALA A 34 11.474 6.280 -1.266 1.00 0.00 N ATOM 508 CA ALA A 34 12.349 7.238 -0.598 1.00 0.00 C ATOM 509 C ALA A 34 12.438 8.546 -1.382 1.00 0.00 C ATOM 510 O ALA A 34 12.219 8.570 -2.592 1.00 0.00 O ATOM 511 CB ALA A 34 13.735 6.641 -0.405 1.00 0.00 C ATOM 0 H ALA A 34 11.521 6.303 -2.285 1.00 0.00 H new ATOM 0 HA ALA A 34 11.921 7.461 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 34 14.377 7.366 0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.662 5.741 0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.160 6.388 -1.376 1.00 0.00 H new ATOM 517 N PRO A 35 12.764 9.658 -0.698 1.00 0.00 N ATOM 518 CA PRO A 35 12.883 10.973 -1.339 1.00 0.00 C ATOM 519 C PRO A 35 14.004 11.008 -2.374 1.00 0.00 C ATOM 520 O PRO A 35 13.772 11.313 -3.544 1.00 0.00 O ATOM 521 CB PRO A 35 13.193 11.923 -0.178 1.00 0.00 C ATOM 522 CG PRO A 35 13.720 11.052 0.912 1.00 0.00 C ATOM 523 CD PRO A 35 13.043 9.721 0.747 1.00 0.00 C ATOM 0 HA PRO A 35 11.978 11.240 -1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.926 12.675 -0.470 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.299 12.457 0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.803 10.950 0.840 1.00 0.00 H new ATOM 0 HG3 PRO A 35 13.505 11.480 1.891 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.685 8.901 1.069 1.00 0.00 H new ATOM 0 HD3 PRO A 35 12.128 9.660 1.336 1.00 0.00 H new ATOM 531 N TRP A 36 15.218 10.684 -1.938 1.00 0.00 N ATOM 532 CA TRP A 36 16.371 10.670 -2.832 1.00 0.00 C ATOM 533 C TRP A 36 16.178 9.643 -3.946 1.00 0.00 C ATOM 534 O TRP A 36 16.848 9.697 -4.978 1.00 0.00 O ATOM 535 CB TRP A 36 17.647 10.356 -2.049 1.00 0.00 C ATOM 536 CG TRP A 36 17.531 9.132 -1.193 1.00 0.00 C ATOM 537 CD1 TRP A 36 17.633 7.833 -1.602 1.00 0.00 C ATOM 538 CD2 TRP A 36 17.290 9.091 0.218 1.00 0.00 C ATOM 539 NE1 TRP A 36 17.470 6.988 -0.532 1.00 0.00 N ATOM 540 CE2 TRP A 36 17.259 7.736 0.597 1.00 0.00 C ATOM 541 CE3 TRP A 36 17.099 10.069 1.198 1.00 0.00 C ATOM 542 CZ2 TRP A 36 17.044 7.335 1.913 1.00 0.00 C ATOM 543 CZ3 TRP A 36 16.885 9.670 2.504 1.00 0.00 C ATOM 544 CH2 TRP A 36 16.860 8.313 2.851 1.00 0.00 C ATOM 0 H TRP A 36 15.428 10.428 -0.973 1.00 0.00 H new ATOM 0 HA TRP A 36 16.465 11.658 -3.282 1.00 0.00 H new ATOM 0 HB2 TRP A 36 18.472 10.224 -2.749 1.00 0.00 H new ATOM 0 HB3 TRP A 36 17.897 11.209 -1.419 1.00 0.00 H new ATOM 0 HD1 TRP A 36 17.815 7.517 -2.618 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.501 5.969 -0.571 1.00 0.00 H new ATOM 0 HE3 TRP A 36 17.118 11.117 0.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 17.023 6.290 2.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 16.735 10.417 3.270 1.00 0.00 H new ATOM 0 HH2 TRP A 36 16.692 8.033 3.881 1.00 0.00 H new ATOM 555 N CYS A 37 15.254 8.707 -3.726 1.00 0.00 N ATOM 556 CA CYS A 37 14.954 7.659 -4.698 1.00 0.00 C ATOM 557 C CYS A 37 14.887 8.214 -6.119 1.00 0.00 C ATOM 558 O CYS A 37 15.358 7.583 -7.065 1.00 0.00 O ATOM 559 CB CYS A 37 13.624 6.997 -4.337 1.00 0.00 C ATOM 560 SG CYS A 37 13.279 5.452 -5.236 1.00 0.00 S ATOM 0 H CYS A 37 14.696 8.655 -2.874 1.00 0.00 H new ATOM 0 HA CYS A 37 15.758 6.924 -4.665 1.00 0.00 H new ATOM 0 HB2 CYS A 37 13.615 6.789 -3.267 1.00 0.00 H new ATOM 0 HB3 CYS A 37 12.817 7.703 -4.531 1.00 0.00 H new ATOM 565 N GLY A 38 14.298 9.397 -6.260 1.00 0.00 N ATOM 566 CA GLY A 38 14.180 10.014 -7.568 1.00 0.00 C ATOM 567 C GLY A 38 13.185 9.298 -8.459 1.00 0.00 C ATOM 568 O GLY A 38 12.154 9.861 -8.828 1.00 0.00 O ATOM 0 H GLY A 38 13.901 9.939 -5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.875 11.054 -7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.157 10.022 -8.052 1.00 0.00 H new ATOM 572 N HIS A 39 13.493 8.053 -8.806 1.00 0.00 N ATOM 573 CA HIS A 39 12.618 7.257 -9.659 1.00 0.00 C ATOM 574 C HIS A 39 11.312 6.929 -8.945 1.00 0.00 C ATOM 575 O HIS A 39 10.249 7.430 -9.313 1.00 0.00 O ATOM 576 CB HIS A 39 13.320 5.964 -10.080 1.00 0.00 C ATOM 577 CG HIS A 39 14.078 6.085 -11.365 1.00 0.00 C ATOM 578 ND1 HIS A 39 13.744 5.384 -12.505 1.00 0.00 N ATOM 579 CD2 HIS A 39 15.159 6.833 -11.690 1.00 0.00 C ATOM 580 CE1 HIS A 39 14.587 5.694 -13.473 1.00 0.00 C ATOM 581 NE2 HIS A 39 15.455 6.571 -13.005 1.00 0.00 N ATOM 0 H HIS A 39 14.343 7.573 -8.509 1.00 0.00 H new ATOM 0 HA HIS A 39 12.387 7.844 -10.548 1.00 0.00 H new ATOM 0 HB2 HIS A 39 14.007 5.659 -9.290 1.00 0.00 H new ATOM 0 HB3 HIS A 39 12.577 5.173 -10.179 1.00 0.00 H new ATOM 0 HD2 HIS A 39 15.690 7.510 -11.037 1.00 0.00 H new ATOM 0 HE1 HIS A 39 14.569 5.297 -14.477 1.00 0.00 H new ATOM 0 HE2 HIS A 39 16.221 6.987 -13.534 1.00 0.00 H new ATOM 590 N CYS A 40 11.397 6.083 -7.924 1.00 0.00 N ATOM 591 CA CYS A 40 10.220 5.686 -7.162 1.00 0.00 C ATOM 592 C CYS A 40 9.643 6.861 -6.372 1.00 0.00 C ATOM 593 O CYS A 40 8.519 6.791 -5.877 1.00 0.00 O ATOM 594 CB CYS A 40 10.559 4.521 -6.224 1.00 0.00 C ATOM 595 SG CYS A 40 11.383 5.004 -4.669 1.00 0.00 S ATOM 0 H CYS A 40 12.269 5.659 -7.606 1.00 0.00 H new ATOM 0 HA CYS A 40 9.459 5.357 -7.870 1.00 0.00 H new ATOM 0 HB2 CYS A 40 9.639 3.989 -5.981 1.00 0.00 H new ATOM 0 HB3 CYS A 40 11.201 3.820 -6.756 1.00 0.00 H new ATOM 600 N LYS A 41 10.411 7.944 -6.258 1.00 0.00 N ATOM 601 CA LYS A 41 9.958 9.125 -5.530 1.00 0.00 C ATOM 602 C LYS A 41 8.579 9.565 -6.015 1.00 0.00 C ATOM 603 O LYS A 41 7.808 10.166 -5.267 1.00 0.00 O ATOM 604 CB LYS A 41 10.959 10.270 -5.694 1.00 0.00 C ATOM 605 CG LYS A 41 10.829 11.348 -4.629 1.00 0.00 C ATOM 606 CD LYS A 41 11.068 12.734 -5.207 1.00 0.00 C ATOM 607 CE LYS A 41 10.789 13.821 -4.181 1.00 0.00 C ATOM 608 NZ LYS A 41 9.351 14.205 -4.156 1.00 0.00 N ATOM 0 H LYS A 41 11.345 8.027 -6.659 1.00 0.00 H new ATOM 0 HA LYS A 41 9.888 8.865 -4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.970 9.864 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.823 10.723 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.834 11.304 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.544 11.158 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.099 12.813 -5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.429 12.881 -6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.089 13.473 -3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.395 14.698 -4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.202 14.948 -3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.070 14.561 -5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.774 13.374 -3.915 1.00 0.00 H new ATOM 622 N ALA A 42 8.275 9.254 -7.272 1.00 0.00 N ATOM 623 CA ALA A 42 6.989 9.608 -7.859 1.00 0.00 C ATOM 624 C ALA A 42 5.860 8.790 -7.238 1.00 0.00 C ATOM 625 O ALA A 42 4.703 9.209 -7.240 1.00 0.00 O ATOM 626 CB ALA A 42 7.026 9.405 -9.367 1.00 0.00 C ATOM 0 H ALA A 42 8.903 8.757 -7.903 1.00 0.00 H new ATOM 0 HA ALA A 42 6.796 10.660 -7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.060 9.673 -9.794 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.802 10.037 -9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.243 8.360 -9.588 1.00 0.00 H new ATOM 632 N LEU A 43 6.205 7.622 -6.704 1.00 0.00 N ATOM 633 CA LEU A 43 5.221 6.747 -6.077 1.00 0.00 C ATOM 634 C LEU A 43 4.555 7.438 -4.887 1.00 0.00 C ATOM 635 O LEU A 43 3.453 7.067 -4.481 1.00 0.00 O ATOM 636 CB LEU A 43 5.889 5.446 -5.622 1.00 0.00 C ATOM 637 CG LEU A 43 5.123 4.166 -5.962 1.00 0.00 C ATOM 638 CD1 LEU A 43 3.746 4.181 -5.318 1.00 0.00 C ATOM 639 CD2 LEU A 43 5.009 3.999 -7.469 1.00 0.00 C ATOM 0 H LEU A 43 7.159 7.260 -6.693 1.00 0.00 H new ATOM 0 HA LEU A 43 4.451 6.516 -6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.880 5.388 -6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.032 5.488 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 43 5.677 3.316 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.216 3.263 -5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.851 4.253 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.182 5.038 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.461 3.084 -7.693 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.478 4.852 -7.890 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.006 3.941 -7.905 1.00 0.00 H new ATOM 651 N ALA A 44 5.230 8.440 -4.331 1.00 0.00 N ATOM 652 CA ALA A 44 4.705 9.177 -3.186 1.00 0.00 C ATOM 653 C ALA A 44 3.459 9.981 -3.559 1.00 0.00 C ATOM 654 O ALA A 44 2.374 9.734 -3.032 1.00 0.00 O ATOM 655 CB ALA A 44 5.776 10.091 -2.610 1.00 0.00 C ATOM 0 H ALA A 44 6.142 8.760 -4.655 1.00 0.00 H new ATOM 0 HA ALA A 44 4.414 8.451 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.370 10.634 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.629 9.494 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.097 10.801 -3.372 1.00 0.00 H new ATOM 661 N PRO A 45 3.594 10.961 -4.472 1.00 0.00 N ATOM 662 CA PRO A 45 2.468 11.796 -4.900 1.00 0.00 C ATOM 663 C PRO A 45 1.309 10.965 -5.440 1.00 0.00 C ATOM 664 O PRO A 45 0.141 11.303 -5.241 1.00 0.00 O ATOM 665 CB PRO A 45 3.058 12.683 -6.006 1.00 0.00 C ATOM 666 CG PRO A 45 4.352 12.044 -6.384 1.00 0.00 C ATOM 667 CD PRO A 45 4.842 11.333 -5.156 1.00 0.00 C ATOM 0 HA PRO A 45 2.051 12.366 -4.070 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.385 12.742 -6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.213 13.702 -5.651 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.215 11.346 -7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.073 12.791 -6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.441 10.458 -5.408 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.465 11.978 -4.537 1.00 0.00 H new ATOM 675 N LYS A 46 1.638 9.874 -6.121 1.00 0.00 N ATOM 676 CA LYS A 46 0.624 8.993 -6.686 1.00 0.00 C ATOM 677 C LYS A 46 -0.117 8.239 -5.585 1.00 0.00 C ATOM 678 O LYS A 46 -1.263 7.829 -5.764 1.00 0.00 O ATOM 679 CB LYS A 46 1.266 8.003 -7.662 1.00 0.00 C ATOM 680 CG LYS A 46 0.751 8.136 -9.087 1.00 0.00 C ATOM 681 CD LYS A 46 1.886 8.355 -10.076 1.00 0.00 C ATOM 682 CE LYS A 46 1.502 9.355 -11.154 1.00 0.00 C ATOM 683 NZ LYS A 46 2.633 10.259 -11.501 1.00 0.00 N ATOM 0 H LYS A 46 2.599 9.578 -6.295 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.097 9.607 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.346 8.151 -7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.082 6.988 -7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.199 7.237 -9.360 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.051 8.970 -9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.768 8.712 -9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.155 7.405 -10.539 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.178 8.820 -12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.654 9.949 -10.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.330 10.926 -12.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.926 10.789 -10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.434 9.695 -11.851 1.00 0.00 H new ATOM 697 N TYR A 47 0.546 8.056 -4.445 1.00 0.00 N ATOM 698 CA TYR A 47 -0.054 7.348 -3.320 1.00 0.00 C ATOM 699 C TYR A 47 -1.044 8.236 -2.573 1.00 0.00 C ATOM 700 O TYR A 47 -2.004 7.744 -1.982 1.00 0.00 O ATOM 701 CB TYR A 47 1.030 6.850 -2.363 1.00 0.00 C ATOM 702 CG TYR A 47 0.927 5.374 -2.054 1.00 0.00 C ATOM 703 CD1 TYR A 47 1.349 4.422 -2.973 1.00 0.00 C ATOM 704 CD2 TYR A 47 0.403 4.932 -0.845 1.00 0.00 C ATOM 705 CE1 TYR A 47 1.254 3.072 -2.697 1.00 0.00 C ATOM 706 CE2 TYR A 47 0.304 3.583 -0.561 1.00 0.00 C ATOM 707 CZ TYR A 47 0.731 2.658 -1.490 1.00 0.00 C ATOM 708 OH TYR A 47 0.633 1.314 -1.211 1.00 0.00 O ATOM 0 H TYR A 47 1.496 8.388 -4.278 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.598 6.491 -3.717 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.009 7.055 -2.796 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.969 7.414 -1.432 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.758 4.743 -3.920 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.068 5.654 -0.116 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.587 2.345 -3.422 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.105 3.255 0.383 1.00 0.00 H new ATOM 0 HH TYR A 47 0.341 1.193 -0.283 1.00 0.00 H new ATOM 718 N GLU A 48 -0.808 9.544 -2.601 1.00 0.00 N ATOM 719 CA GLU A 48 -1.691 10.487 -1.922 1.00 0.00 C ATOM 720 C GLU A 48 -2.965 10.712 -2.729 1.00 0.00 C ATOM 721 O GLU A 48 -4.032 10.961 -2.168 1.00 0.00 O ATOM 722 CB GLU A 48 -0.975 11.819 -1.679 1.00 0.00 C ATOM 723 CG GLU A 48 -0.624 12.571 -2.952 1.00 0.00 C ATOM 724 CD GLU A 48 -0.775 14.072 -2.802 1.00 0.00 C ATOM 725 OE1 GLU A 48 -1.928 14.552 -2.768 1.00 0.00 O ATOM 726 OE2 GLU A 48 0.259 14.768 -2.720 1.00 0.00 O ATOM 0 H GLU A 48 -0.018 9.973 -3.083 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.964 10.059 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.608 12.452 -1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.061 11.631 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.403 12.339 -3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.264 12.224 -3.763 1.00 0.00 H new ATOM 733 N GLU A 49 -2.847 10.618 -4.051 1.00 0.00 N ATOM 734 CA GLU A 49 -3.993 10.806 -4.933 1.00 0.00 C ATOM 735 C GLU A 49 -4.979 9.651 -4.790 1.00 0.00 C ATOM 736 O GLU A 49 -6.173 9.862 -4.579 1.00 0.00 O ATOM 737 CB GLU A 49 -3.530 10.927 -6.387 1.00 0.00 C ATOM 738 CG GLU A 49 -4.054 12.168 -7.091 1.00 0.00 C ATOM 739 CD GLU A 49 -4.435 11.902 -8.534 1.00 0.00 C ATOM 740 OE1 GLU A 49 -4.910 10.785 -8.827 1.00 0.00 O ATOM 741 OE2 GLU A 49 -4.259 12.812 -9.372 1.00 0.00 O ATOM 0 H GLU A 49 -1.972 10.413 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.498 11.728 -4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.440 10.938 -6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.853 10.043 -6.937 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.923 12.547 -6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.294 12.948 -7.058 1.00 0.00 H new ATOM 748 N LEU A 50 -4.469 8.429 -4.903 1.00 0.00 N ATOM 749 CA LEU A 50 -5.302 7.238 -4.782 1.00 0.00 C ATOM 750 C LEU A 50 -5.767 7.050 -3.341 1.00 0.00 C ATOM 751 O LEU A 50 -6.848 6.516 -3.092 1.00 0.00 O ATOM 752 CB LEU A 50 -4.532 6.001 -5.254 1.00 0.00 C ATOM 753 CG LEU A 50 -5.229 4.663 -4.994 1.00 0.00 C ATOM 754 CD1 LEU A 50 -6.624 4.663 -5.600 1.00 0.00 C ATOM 755 CD2 LEU A 50 -4.403 3.514 -5.552 1.00 0.00 C ATOM 0 H LEU A 50 -3.483 8.237 -5.078 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.180 7.368 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.346 6.094 -6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.560 5.988 -4.762 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.322 4.526 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.105 3.704 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.215 5.463 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.553 4.822 -6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.914 2.571 -5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.278 3.644 -6.627 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.425 3.502 -5.071 1.00 0.00 H new ATOM 767 N GLY A 51 -4.944 7.494 -2.396 1.00 0.00 N ATOM 768 CA GLY A 51 -5.288 7.368 -0.992 1.00 0.00 C ATOM 769 C GLY A 51 -6.604 8.043 -0.659 1.00 0.00 C ATOM 770 O GLY A 51 -7.481 7.439 -0.043 1.00 0.00 O ATOM 0 H GLY A 51 -4.044 7.939 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.347 6.312 -0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.495 7.804 -0.385 1.00 0.00 H new ATOM 774 N ALA A 52 -6.741 9.299 -1.072 1.00 0.00 N ATOM 775 CA ALA A 52 -7.960 10.056 -0.818 1.00 0.00 C ATOM 776 C ALA A 52 -9.137 9.467 -1.586 1.00 0.00 C ATOM 777 O ALA A 52 -10.256 9.407 -1.077 1.00 0.00 O ATOM 778 CB ALA A 52 -7.760 11.517 -1.193 1.00 0.00 C ATOM 0 H ALA A 52 -6.023 9.813 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.185 9.994 0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.678 12.072 -0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.949 11.938 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.509 11.590 -2.251 1.00 0.00 H new ATOM 784 N LEU A 53 -8.877 9.031 -2.815 1.00 0.00 N ATOM 785 CA LEU A 53 -9.915 8.444 -3.654 1.00 0.00 C ATOM 786 C LEU A 53 -10.435 7.144 -3.048 1.00 0.00 C ATOM 787 O LEU A 53 -11.619 7.021 -2.737 1.00 0.00 O ATOM 788 CB LEU A 53 -9.374 8.186 -5.063 1.00 0.00 C ATOM 789 CG LEU A 53 -9.849 9.174 -6.130 1.00 0.00 C ATOM 790 CD1 LEU A 53 -8.872 9.211 -7.295 1.00 0.00 C ATOM 791 CD2 LEU A 53 -11.243 8.806 -6.612 1.00 0.00 C ATOM 0 H LEU A 53 -7.956 9.073 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.743 9.150 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.285 8.209 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.662 7.180 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.890 10.169 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.226 9.919 -8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.891 9.522 -6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.798 8.219 -7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.566 9.519 -7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.227 7.803 -7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.937 8.831 -5.772 1.00 0.00 H new ATOM 803 N TYR A 54 -9.539 6.175 -2.883 1.00 0.00 N ATOM 804 CA TYR A 54 -9.904 4.882 -2.314 1.00 0.00 C ATOM 805 C TYR A 54 -10.541 5.047 -0.937 1.00 0.00 C ATOM 806 O TYR A 54 -11.344 4.218 -0.511 1.00 0.00 O ATOM 807 CB TYR A 54 -8.669 3.981 -2.216 1.00 0.00 C ATOM 808 CG TYR A 54 -8.830 2.650 -2.916 1.00 0.00 C ATOM 809 CD1 TYR A 54 -9.946 1.854 -2.692 1.00 0.00 C ATOM 810 CD2 TYR A 54 -7.864 2.190 -3.803 1.00 0.00 C ATOM 811 CE1 TYR A 54 -10.096 0.638 -3.330 1.00 0.00 C ATOM 812 CE2 TYR A 54 -8.007 0.975 -4.445 1.00 0.00 C ATOM 813 CZ TYR A 54 -9.123 0.203 -4.206 1.00 0.00 C ATOM 814 OH TYR A 54 -9.268 -1.008 -4.844 1.00 0.00 O ATOM 0 H TYR A 54 -8.555 6.261 -3.136 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.636 4.417 -2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.813 4.505 -2.643 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.442 3.803 -1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.710 2.192 -2.007 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.988 2.792 -3.993 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.970 0.031 -3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.247 0.632 -5.131 1.00 0.00 H new ATOM 0 HH TYR A 54 -10.221 -1.199 -4.970 1.00 0.00 H new ATOM 824 N ALA A 55 -10.175 6.122 -0.244 1.00 0.00 N ATOM 825 CA ALA A 55 -10.709 6.393 1.084 1.00 0.00 C ATOM 826 C ALA A 55 -12.087 7.042 1.003 1.00 0.00 C ATOM 827 O ALA A 55 -12.940 6.820 1.863 1.00 0.00 O ATOM 828 CB ALA A 55 -9.751 7.279 1.866 1.00 0.00 C ATOM 0 H ALA A 55 -9.511 6.819 -0.582 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.816 5.442 1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.162 7.474 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.789 6.776 1.965 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.615 8.223 1.338 1.00 0.00 H new ATOM 834 N LYS A 56 -12.299 7.846 -0.034 1.00 0.00 N ATOM 835 CA LYS A 56 -13.575 8.527 -0.224 1.00 0.00 C ATOM 836 C LYS A 56 -14.628 7.569 -0.772 1.00 0.00 C ATOM 837 O LYS A 56 -15.819 7.717 -0.498 1.00 0.00 O ATOM 838 CB LYS A 56 -13.409 9.716 -1.172 1.00 0.00 C ATOM 839 CG LYS A 56 -14.300 10.898 -0.828 1.00 0.00 C ATOM 840 CD LYS A 56 -15.773 10.538 -0.942 1.00 0.00 C ATOM 841 CE LYS A 56 -16.650 11.779 -0.948 1.00 0.00 C ATOM 842 NZ LYS A 56 -16.121 12.830 -1.860 1.00 0.00 N ATOM 0 H LYS A 56 -11.605 8.042 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.910 8.890 0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.368 10.040 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.627 9.392 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.084 11.235 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.075 11.730 -1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.940 9.969 -1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -16.057 9.894 -0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -17.660 11.508 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.720 12.178 0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.903 13.436 -2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.421 13.409 -1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.670 12.381 -2.682 1.00 0.00 H new ATOM 856 N SER A 57 -14.181 6.588 -1.549 1.00 0.00 N ATOM 857 CA SER A 57 -15.085 5.606 -2.137 1.00 0.00 C ATOM 858 C SER A 57 -15.857 4.858 -1.054 1.00 0.00 C ATOM 859 O SER A 57 -15.634 5.067 0.138 1.00 0.00 O ATOM 860 CB SER A 57 -14.303 4.614 -2.998 1.00 0.00 C ATOM 861 OG SER A 57 -13.805 5.237 -4.170 1.00 0.00 O ATOM 0 H SER A 57 -13.198 6.452 -1.786 1.00 0.00 H new ATOM 0 HA SER A 57 -15.800 6.138 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.475 4.202 -2.422 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.948 3.779 -3.272 1.00 0.00 H new ATOM 0 HG SER A 57 -13.065 5.835 -3.934 1.00 0.00 H new ATOM 867 N GLU A 58 -16.765 3.985 -1.479 1.00 0.00 N ATOM 868 CA GLU A 58 -17.571 3.205 -0.547 1.00 0.00 C ATOM 869 C GLU A 58 -16.734 2.131 0.148 1.00 0.00 C ATOM 870 O GLU A 58 -17.187 1.507 1.108 1.00 0.00 O ATOM 871 CB GLU A 58 -18.746 2.554 -1.279 1.00 0.00 C ATOM 872 CG GLU A 58 -19.894 3.511 -1.557 1.00 0.00 C ATOM 873 CD GLU A 58 -20.573 3.237 -2.885 1.00 0.00 C ATOM 874 OE1 GLU A 58 -21.115 2.125 -3.056 1.00 0.00 O ATOM 875 OE2 GLU A 58 -20.565 4.135 -3.753 1.00 0.00 O ATOM 0 H GLU A 58 -16.961 3.800 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.952 3.886 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.391 2.141 -2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -19.116 1.719 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.628 3.434 -0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.519 4.534 -1.549 1.00 0.00 H new ATOM 882 N PHE A 59 -15.513 1.917 -0.338 1.00 0.00 N ATOM 883 CA PHE A 59 -14.624 0.917 0.243 1.00 0.00 C ATOM 884 C PHE A 59 -13.664 1.554 1.244 1.00 0.00 C ATOM 885 O PHE A 59 -12.495 1.177 1.323 1.00 0.00 O ATOM 886 CB PHE A 59 -13.834 0.204 -0.857 1.00 0.00 C ATOM 887 CG PHE A 59 -14.674 -0.196 -2.037 1.00 0.00 C ATOM 888 CD1 PHE A 59 -15.513 -1.296 -1.966 1.00 0.00 C ATOM 889 CD2 PHE A 59 -14.623 0.529 -3.217 1.00 0.00 C ATOM 890 CE1 PHE A 59 -16.286 -1.667 -3.050 1.00 0.00 C ATOM 891 CE2 PHE A 59 -15.394 0.163 -4.305 1.00 0.00 C ATOM 892 CZ PHE A 59 -16.226 -0.936 -4.221 1.00 0.00 C ATOM 0 H PHE A 59 -15.118 2.422 -1.131 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.238 0.187 0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.031 0.857 -1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.365 -0.686 -0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -15.564 -1.870 -1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.974 1.389 -3.288 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -16.936 -2.527 -2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -15.346 0.736 -5.219 1.00 0.00 H new ATOM 0 HZ PHE A 59 -16.829 -1.224 -5.070 1.00 0.00 H new ATOM 902 N LYS A 60 -14.165 2.520 2.007 1.00 0.00 N ATOM 903 CA LYS A 60 -13.351 3.207 3.003 1.00 0.00 C ATOM 904 C LYS A 60 -13.055 2.293 4.188 1.00 0.00 C ATOM 905 O LYS A 60 -12.012 2.412 4.831 1.00 0.00 O ATOM 906 CB LYS A 60 -14.058 4.475 3.485 1.00 0.00 C ATOM 907 CG LYS A 60 -15.413 4.212 4.122 1.00 0.00 C ATOM 908 CD LYS A 60 -16.552 4.665 3.223 1.00 0.00 C ATOM 909 CE LYS A 60 -17.900 4.215 3.762 1.00 0.00 C ATOM 910 NZ LYS A 60 -17.883 2.785 4.179 1.00 0.00 N ATOM 0 H LYS A 60 -15.131 2.845 1.955 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.406 3.483 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.420 4.985 4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.188 5.152 2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.516 3.147 4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.474 4.733 5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.538 5.751 3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.407 4.263 2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.177 4.838 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -18.664 4.361 2.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.857 2.422 4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.332 2.230 3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.448 2.703 5.120 1.00 0.00 H new ATOM 924 N ASP A 61 -13.979 1.381 4.472 1.00 0.00 N ATOM 925 CA ASP A 61 -13.816 0.447 5.581 1.00 0.00 C ATOM 926 C ASP A 61 -13.476 -0.955 5.077 1.00 0.00 C ATOM 927 O ASP A 61 -13.590 -1.933 5.816 1.00 0.00 O ATOM 928 CB ASP A 61 -15.091 0.400 6.425 1.00 0.00 C ATOM 929 CG ASP A 61 -14.805 0.126 7.889 1.00 0.00 C ATOM 930 OD1 ASP A 61 -14.145 0.969 8.533 1.00 0.00 O ATOM 931 OD2 ASP A 61 -15.241 -0.931 8.391 1.00 0.00 O ATOM 0 H ASP A 61 -14.848 1.269 3.950 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.989 0.800 6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.620 1.348 6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.753 -0.374 6.036 1.00 0.00 H new ATOM 936 N ARG A 62 -13.058 -1.049 3.817 1.00 0.00 N ATOM 937 CA ARG A 62 -12.704 -2.333 3.223 1.00 0.00 C ATOM 938 C ARG A 62 -11.227 -2.367 2.843 1.00 0.00 C ATOM 939 O ARG A 62 -10.546 -3.372 3.048 1.00 0.00 O ATOM 940 CB ARG A 62 -13.566 -2.601 1.988 1.00 0.00 C ATOM 941 CG ARG A 62 -14.875 -3.308 2.301 1.00 0.00 C ATOM 942 CD ARG A 62 -15.997 -2.828 1.395 1.00 0.00 C ATOM 943 NE ARG A 62 -17.307 -2.964 2.028 1.00 0.00 N ATOM 944 CZ ARG A 62 -17.976 -4.112 2.109 1.00 0.00 C ATOM 945 NH1 ARG A 62 -17.463 -5.225 1.600 1.00 0.00 N ATOM 946 NH2 ARG A 62 -19.162 -4.147 2.702 1.00 0.00 N ATOM 0 H ARG A 62 -12.957 -0.252 3.189 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.889 -3.112 3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.783 -1.654 1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.996 -3.205 1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -14.746 -4.384 2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -15.145 -3.131 3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -15.828 -1.784 1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -15.982 -3.398 0.466 1.00 0.00 H new ATOM 0 HE ARG A 62 -17.734 -2.130 2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -16.551 -5.204 1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.981 -6.101 1.665 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.561 -3.295 3.096 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -19.675 -5.026 2.764 1.00 0.00 H new ATOM 960 N VAL A 63 -10.738 -1.262 2.290 1.00 0.00 N ATOM 961 CA VAL A 63 -9.342 -1.164 1.882 1.00 0.00 C ATOM 962 C VAL A 63 -8.676 0.063 2.497 1.00 0.00 C ATOM 963 O VAL A 63 -9.332 1.073 2.753 1.00 0.00 O ATOM 964 CB VAL A 63 -9.210 -1.098 0.347 1.00 0.00 C ATOM 965 CG1 VAL A 63 -9.877 0.156 -0.200 1.00 0.00 C ATOM 966 CG2 VAL A 63 -7.747 -1.160 -0.068 1.00 0.00 C ATOM 0 H VAL A 63 -11.288 -0.421 2.114 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.840 -2.062 2.242 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.721 -1.962 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.771 0.181 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.935 0.149 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.403 1.038 0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.675 -1.112 -1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.209 -0.319 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.308 -2.094 0.284 1.00 0.00 H new ATOM 976 N VAL A 64 -7.371 -0.030 2.734 1.00 0.00 N ATOM 977 CA VAL A 64 -6.623 1.075 3.320 1.00 0.00 C ATOM 978 C VAL A 64 -5.263 1.242 2.647 1.00 0.00 C ATOM 979 O VAL A 64 -4.450 0.317 2.624 1.00 0.00 O ATOM 980 CB VAL A 64 -6.418 0.874 4.835 1.00 0.00 C ATOM 981 CG1 VAL A 64 -5.607 -0.384 5.106 1.00 0.00 C ATOM 982 CG2 VAL A 64 -5.748 2.093 5.452 1.00 0.00 C ATOM 0 H VAL A 64 -6.811 -0.858 2.529 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.214 1.977 3.159 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.397 0.752 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.474 -0.507 6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.133 -1.250 4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.632 -0.298 4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.612 1.931 6.521 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.777 2.251 4.983 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.374 2.971 5.294 1.00 0.00 H new ATOM 992 N ILE A 65 -5.023 2.432 2.104 1.00 0.00 N ATOM 993 CA ILE A 65 -3.762 2.727 1.433 1.00 0.00 C ATOM 994 C ILE A 65 -2.726 3.239 2.428 1.00 0.00 C ATOM 995 O ILE A 65 -2.850 4.345 2.954 1.00 0.00 O ATOM 996 CB ILE A 65 -3.948 3.775 0.318 1.00 0.00 C ATOM 997 CG1 ILE A 65 -5.177 3.441 -0.530 1.00 0.00 C ATOM 998 CG2 ILE A 65 -2.701 3.852 -0.550 1.00 0.00 C ATOM 999 CD1 ILE A 65 -5.035 2.161 -1.326 1.00 0.00 C ATOM 0 H ILE A 65 -5.686 3.207 2.116 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.412 1.796 0.987 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.106 4.750 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.046 3.359 0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.370 4.266 -1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.848 4.596 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.847 4.136 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.514 2.879 -1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.944 1.988 -1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.186 2.246 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.873 1.325 -0.645 1.00 0.00 H new ATOM 1011 N ALA A 66 -1.707 2.426 2.687 1.00 0.00 N ATOM 1012 CA ALA A 66 -0.654 2.797 3.625 1.00 0.00 C ATOM 1013 C ALA A 66 0.683 2.984 2.916 1.00 0.00 C ATOM 1014 O ALA A 66 1.134 2.111 2.173 1.00 0.00 O ATOM 1015 CB ALA A 66 -0.530 1.747 4.718 1.00 0.00 C ATOM 0 H ALA A 66 -1.588 1.507 2.261 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.928 3.750 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.260 2.036 5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.475 1.668 5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.286 0.783 4.271 1.00 0.00 H new ATOM 1021 N LYS A 67 1.317 4.127 3.158 1.00 0.00 N ATOM 1022 CA LYS A 67 2.608 4.430 2.551 1.00 0.00 C ATOM 1023 C LYS A 67 3.705 4.452 3.609 1.00 0.00 C ATOM 1024 O LYS A 67 3.477 4.872 4.744 1.00 0.00 O ATOM 1025 CB LYS A 67 2.554 5.774 1.822 1.00 0.00 C ATOM 1026 CG LYS A 67 2.301 6.957 2.744 1.00 0.00 C ATOM 1027 CD LYS A 67 3.377 8.025 2.598 1.00 0.00 C ATOM 1028 CE LYS A 67 4.303 8.055 3.803 1.00 0.00 C ATOM 1029 NZ LYS A 67 5.601 7.382 3.524 1.00 0.00 N ATOM 0 H LYS A 67 0.957 4.859 3.771 1.00 0.00 H new ATOM 0 HA LYS A 67 2.837 3.648 1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.495 5.930 1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.768 5.737 1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.326 7.390 2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.268 6.612 3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.959 7.835 1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.907 9.001 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.486 9.089 4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.816 7.567 4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.197 7.410 4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.428 6.393 3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.087 7.873 2.746 1.00 0.00 H new ATOM 1043 N VAL A 68 4.892 3.992 3.234 1.00 0.00 N ATOM 1044 CA VAL A 68 6.020 3.953 4.156 1.00 0.00 C ATOM 1045 C VAL A 68 7.346 4.078 3.413 1.00 0.00 C ATOM 1046 O VAL A 68 7.437 3.771 2.225 1.00 0.00 O ATOM 1047 CB VAL A 68 6.021 2.647 4.974 1.00 0.00 C ATOM 1048 CG1 VAL A 68 6.156 1.441 4.057 1.00 0.00 C ATOM 1049 CG2 VAL A 68 7.133 2.661 6.013 1.00 0.00 C ATOM 0 H VAL A 68 5.098 3.641 2.299 1.00 0.00 H new ATOM 0 HA VAL A 68 5.910 4.801 4.832 1.00 0.00 H new ATOM 0 HB VAL A 68 5.068 2.573 5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.155 0.529 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.319 1.419 3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.091 1.510 3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.114 1.729 6.578 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.096 2.763 5.513 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.986 3.501 6.692 1.00 0.00 H new ATOM 1059 N ASP A 69 8.374 4.526 4.126 1.00 0.00 N ATOM 1060 CA ASP A 69 9.699 4.686 3.542 1.00 0.00 C ATOM 1061 C ASP A 69 10.553 3.450 3.802 1.00 0.00 C ATOM 1062 O ASP A 69 10.425 2.807 4.844 1.00 0.00 O ATOM 1063 CB ASP A 69 10.387 5.927 4.114 1.00 0.00 C ATOM 1064 CG ASP A 69 9.488 7.148 4.093 1.00 0.00 C ATOM 1065 OD1 ASP A 69 8.818 7.374 3.063 1.00 0.00 O ATOM 1066 OD2 ASP A 69 9.456 7.879 5.105 1.00 0.00 O ATOM 0 H ASP A 69 8.314 4.785 5.111 1.00 0.00 H new ATOM 0 HA ASP A 69 9.585 4.811 2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.699 5.726 5.139 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.291 6.135 3.541 1.00 0.00 H new ATOM 1071 N ALA A 70 11.421 3.119 2.852 1.00 0.00 N ATOM 1072 CA ALA A 70 12.293 1.955 2.985 1.00 0.00 C ATOM 1073 C ALA A 70 13.469 2.243 3.915 1.00 0.00 C ATOM 1074 O ALA A 70 14.626 2.014 3.559 1.00 0.00 O ATOM 1075 CB ALA A 70 12.794 1.516 1.617 1.00 0.00 C ATOM 0 H ALA A 70 11.540 3.639 1.982 1.00 0.00 H new ATOM 0 HA ALA A 70 11.710 1.147 3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.443 0.648 1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.945 1.256 0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 70 13.353 2.330 1.156 1.00 0.00 H new ATOM 1081 N THR A 71 13.167 2.743 5.110 1.00 0.00 N ATOM 1082 CA THR A 71 14.199 3.057 6.092 1.00 0.00 C ATOM 1083 C THR A 71 13.775 2.612 7.490 1.00 0.00 C ATOM 1084 O THR A 71 14.302 3.097 8.491 1.00 0.00 O ATOM 1085 CB THR A 71 14.493 4.559 6.088 1.00 0.00 C ATOM 1086 OG1 THR A 71 13.519 5.263 6.838 1.00 0.00 O ATOM 1087 CG2 THR A 71 14.527 5.161 4.699 1.00 0.00 C ATOM 0 H THR A 71 12.216 2.939 5.421 1.00 0.00 H new ATOM 0 HA THR A 71 15.104 2.515 5.818 1.00 0.00 H new ATOM 0 HB THR A 71 15.483 4.659 6.533 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.725 6.221 6.825 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.740 6.228 4.770 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.304 4.674 4.110 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.561 5.015 4.216 1.00 0.00 H new ATOM 1095 N ALA A 72 12.814 1.693 7.553 1.00 0.00 N ATOM 1096 CA ALA A 72 12.318 1.191 8.829 1.00 0.00 C ATOM 1097 C ALA A 72 13.197 0.066 9.364 1.00 0.00 C ATOM 1098 O ALA A 72 14.210 -0.286 8.759 1.00 0.00 O ATOM 1099 CB ALA A 72 10.881 0.715 8.684 1.00 0.00 C ATOM 0 H ALA A 72 12.364 1.282 6.735 1.00 0.00 H new ATOM 0 HA ALA A 72 12.351 2.010 9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.522 0.343 9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.254 1.545 8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 72 10.835 -0.085 7.945 1.00 0.00 H new ATOM 1105 N ASN A 73 12.802 -0.492 10.504 1.00 0.00 N ATOM 1106 CA ASN A 73 13.551 -1.578 11.126 1.00 0.00 C ATOM 1107 C ASN A 73 12.700 -2.841 11.218 1.00 0.00 C ATOM 1108 O ASN A 73 11.473 -2.771 11.278 1.00 0.00 O ATOM 1109 CB ASN A 73 14.026 -1.170 12.524 1.00 0.00 C ATOM 1110 CG ASN A 73 14.463 0.282 12.591 1.00 0.00 C ATOM 1111 OD1 ASN A 73 15.657 0.583 12.606 1.00 0.00 O ATOM 1112 ND2 ASN A 73 13.494 1.189 12.633 1.00 0.00 N ATOM 0 H ASN A 73 11.966 -0.210 11.016 1.00 0.00 H new ATOM 0 HA ASN A 73 14.420 -1.787 10.502 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.221 -1.337 13.240 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.856 -1.810 12.823 1.00 0.00 H new ATOM 0 HD21 ASN A 73 13.726 2.181 12.680 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.518 0.893 12.618 1.00 0.00 H new ATOM 1119 N ASP A 74 13.361 -3.994 11.230 1.00 0.00 N ATOM 1120 CA ASP A 74 12.667 -5.274 11.317 1.00 0.00 C ATOM 1121 C ASP A 74 11.682 -5.441 10.163 1.00 0.00 C ATOM 1122 O ASP A 74 10.530 -5.827 10.366 1.00 0.00 O ATOM 1123 CB ASP A 74 11.931 -5.389 12.654 1.00 0.00 C ATOM 1124 CG ASP A 74 11.281 -6.746 12.842 1.00 0.00 C ATOM 1125 OD1 ASP A 74 11.994 -7.697 13.226 1.00 0.00 O ATOM 1126 OD2 ASP A 74 10.060 -6.857 12.605 1.00 0.00 O ATOM 0 H ASP A 74 14.377 -4.068 11.181 1.00 0.00 H new ATOM 0 HA ASP A 74 13.412 -6.067 11.251 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.633 -5.210 13.468 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.168 -4.613 12.714 1.00 0.00 H new ATOM 1131 N VAL A 75 12.142 -5.147 8.951 1.00 0.00 N ATOM 1132 CA VAL A 75 11.301 -5.264 7.767 1.00 0.00 C ATOM 1133 C VAL A 75 12.033 -5.992 6.640 1.00 0.00 C ATOM 1134 O VAL A 75 12.698 -5.368 5.813 1.00 0.00 O ATOM 1135 CB VAL A 75 10.840 -3.880 7.267 1.00 0.00 C ATOM 1136 CG1 VAL A 75 12.036 -3.003 6.930 1.00 0.00 C ATOM 1137 CG2 VAL A 75 9.914 -4.021 6.066 1.00 0.00 C ATOM 0 H VAL A 75 13.092 -4.826 8.764 1.00 0.00 H new ATOM 0 HA VAL A 75 10.425 -5.844 8.055 1.00 0.00 H new ATOM 0 HB VAL A 75 10.282 -3.397 8.069 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.688 -2.032 6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.651 -2.868 7.820 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.628 -3.480 6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.601 -3.032 5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.441 -4.529 5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.037 -4.603 6.349 1.00 0.00 H new ATOM 1147 N PRO A 76 11.917 -7.331 6.590 1.00 0.00 N ATOM 1148 CA PRO A 76 12.568 -8.141 5.556 1.00 0.00 C ATOM 1149 C PRO A 76 11.939 -7.931 4.183 1.00 0.00 C ATOM 1150 O PRO A 76 11.150 -8.753 3.717 1.00 0.00 O ATOM 1151 CB PRO A 76 12.342 -9.577 6.035 1.00 0.00 C ATOM 1152 CG PRO A 76 11.114 -9.507 6.873 1.00 0.00 C ATOM 1153 CD PRO A 76 11.140 -8.157 7.533 1.00 0.00 C ATOM 0 HA PRO A 76 13.619 -7.881 5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.210 -10.259 5.195 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.193 -9.941 6.610 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.218 -9.626 6.263 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.102 -10.304 7.616 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.135 -7.762 7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.612 -8.198 8.514 1.00 0.00 H new ATOM 1161 N ASP A 77 12.291 -6.822 3.540 1.00 0.00 N ATOM 1162 CA ASP A 77 11.756 -6.501 2.222 1.00 0.00 C ATOM 1163 C ASP A 77 12.843 -6.570 1.154 1.00 0.00 C ATOM 1164 O ASP A 77 13.444 -5.556 0.800 1.00 0.00 O ATOM 1165 CB ASP A 77 11.124 -5.108 2.232 1.00 0.00 C ATOM 1166 CG ASP A 77 12.103 -4.032 2.659 1.00 0.00 C ATOM 1167 OD1 ASP A 77 13.119 -4.375 3.301 1.00 0.00 O ATOM 1168 OD2 ASP A 77 11.855 -2.847 2.353 1.00 0.00 O ATOM 0 H ASP A 77 12.944 -6.131 3.910 1.00 0.00 H new ATOM 0 HA ASP A 77 10.992 -7.241 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.746 -4.877 1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.268 -5.105 2.907 1.00 0.00 H new ATOM 1173 N GLU A 78 13.084 -7.771 0.638 1.00 0.00 N ATOM 1174 CA GLU A 78 14.091 -7.969 -0.398 1.00 0.00 C ATOM 1175 C GLU A 78 13.483 -7.761 -1.780 1.00 0.00 C ATOM 1176 O GLU A 78 12.674 -8.567 -2.241 1.00 0.00 O ATOM 1177 CB GLU A 78 14.692 -9.373 -0.296 1.00 0.00 C ATOM 1178 CG GLU A 78 15.904 -9.451 0.617 1.00 0.00 C ATOM 1179 CD GLU A 78 17.003 -10.331 0.054 1.00 0.00 C ATOM 1180 OE1 GLU A 78 17.343 -10.166 -1.137 1.00 0.00 O ATOM 1181 OE2 GLU A 78 17.523 -11.184 0.802 1.00 0.00 O ATOM 0 H GLU A 78 12.596 -8.621 0.920 1.00 0.00 H new ATOM 0 HA GLU A 78 14.884 -7.235 -0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.928 -10.060 0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.976 -9.711 -1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.296 -8.447 0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.597 -9.836 1.589 1.00 0.00 H new ATOM 1188 N ILE A 79 13.868 -6.670 -2.435 1.00 0.00 N ATOM 1189 CA ILE A 79 13.348 -6.356 -3.761 1.00 0.00 C ATOM 1190 C ILE A 79 14.452 -5.877 -4.698 1.00 0.00 C ATOM 1191 O ILE A 79 15.517 -5.448 -4.253 1.00 0.00 O ATOM 1192 CB ILE A 79 12.244 -5.283 -3.689 1.00 0.00 C ATOM 1193 CG1 ILE A 79 12.818 -3.951 -3.183 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.102 -5.762 -2.802 1.00 0.00 C ATOM 1195 CD1 ILE A 79 13.210 -3.963 -1.720 1.00 0.00 C ATOM 0 H ILE A 79 14.536 -5.991 -2.071 1.00 0.00 H new ATOM 0 HA ILE A 79 12.925 -7.279 -4.158 1.00 0.00 H new ATOM 0 HB ILE A 79 11.850 -5.117 -4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.693 -3.694 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 79 12.080 -3.165 -3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.328 -4.995 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.681 -6.679 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.478 -5.955 -1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.606 -2.986 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.334 -4.187 -1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.972 -4.724 -1.554 1.00 0.00 H new ATOM 1207 N GLN A 80 14.187 -5.956 -5.998 1.00 0.00 N ATOM 1208 CA GLN A 80 15.154 -5.533 -7.003 1.00 0.00 C ATOM 1209 C GLN A 80 15.104 -4.022 -7.214 1.00 0.00 C ATOM 1210 O GLN A 80 16.141 -3.367 -7.313 1.00 0.00 O ATOM 1211 CB GLN A 80 14.891 -6.253 -8.327 1.00 0.00 C ATOM 1212 CG GLN A 80 16.146 -6.486 -9.153 1.00 0.00 C ATOM 1213 CD GLN A 80 16.194 -5.624 -10.399 1.00 0.00 C ATOM 1214 OE1 GLN A 80 16.058 -6.120 -11.518 1.00 0.00 O ATOM 1215 NE2 GLN A 80 16.388 -4.323 -10.213 1.00 0.00 N ATOM 0 H GLN A 80 13.310 -6.309 -6.380 1.00 0.00 H new ATOM 0 HA GLN A 80 16.149 -5.795 -6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 80 14.418 -7.213 -8.121 1.00 0.00 H new ATOM 0 HB3 GLN A 80 14.183 -5.669 -8.914 1.00 0.00 H new ATOM 0 HG2 GLN A 80 17.023 -6.280 -8.540 1.00 0.00 H new ATOM 0 HG3 GLN A 80 16.197 -7.536 -9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 80 16.496 -3.953 -9.268 1.00 0.00 H new ATOM 0 HE22 GLN A 80 16.429 -3.694 -11.015 1.00 0.00 H new ATOM 1224 N GLY A 81 13.893 -3.472 -7.285 1.00 0.00 N ATOM 1225 CA GLY A 81 13.744 -2.042 -7.487 1.00 0.00 C ATOM 1226 C GLY A 81 13.053 -1.351 -6.327 1.00 0.00 C ATOM 1227 O GLY A 81 12.124 -1.898 -5.731 1.00 0.00 O ATOM 0 H GLY A 81 13.017 -3.989 -7.207 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.728 -1.597 -7.635 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.174 -1.866 -8.400 1.00 0.00 H new ATOM 1231 N PHE A 82 13.524 -0.151 -5.996 1.00 0.00 N ATOM 1232 CA PHE A 82 12.980 0.626 -4.896 1.00 0.00 C ATOM 1233 C PHE A 82 11.496 0.685 -4.828 1.00 0.00 C ATOM 1234 O PHE A 82 10.937 0.547 -3.740 1.00 0.00 O ATOM 1235 CB PHE A 82 13.551 2.026 -4.913 1.00 0.00 C ATOM 1236 CG PHE A 82 14.543 2.193 -3.834 1.00 0.00 C ATOM 1237 CD1 PHE A 82 14.152 2.061 -2.518 1.00 0.00 C ATOM 1238 CD2 PHE A 82 15.864 2.430 -4.130 1.00 0.00 C ATOM 1239 CE1 PHE A 82 15.076 2.178 -1.502 1.00 0.00 C ATOM 1240 CE2 PHE A 82 16.794 2.543 -3.131 1.00 0.00 C ATOM 1241 CZ PHE A 82 16.405 2.419 -1.808 1.00 0.00 C ATOM 0 H PHE A 82 14.293 0.306 -6.485 1.00 0.00 H new ATOM 0 HA PHE A 82 13.286 0.091 -3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.018 2.223 -5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.749 2.754 -4.793 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.116 1.865 -2.282 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.172 2.528 -5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.765 2.082 -0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 82 17.830 2.729 -3.375 1.00 0.00 H new ATOM 0 HZ PHE A 82 17.135 2.510 -1.018 1.00 0.00 H new ATOM 1251 N PRO A 83 10.807 0.927 -5.919 1.00 0.00 N ATOM 1252 CA PRO A 83 9.387 1.023 -5.821 1.00 0.00 C ATOM 1253 C PRO A 83 8.762 -0.319 -5.477 1.00 0.00 C ATOM 1254 O PRO A 83 8.272 -1.044 -6.343 1.00 0.00 O ATOM 1255 CB PRO A 83 8.953 1.550 -7.179 1.00 0.00 C ATOM 1256 CG PRO A 83 10.059 1.181 -8.110 1.00 0.00 C ATOM 1257 CD PRO A 83 11.315 1.163 -7.282 1.00 0.00 C ATOM 0 HA PRO A 83 9.061 1.683 -5.017 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.009 1.104 -7.492 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.803 2.629 -7.153 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.878 0.207 -8.563 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.139 1.901 -8.924 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.998 0.375 -7.601 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.859 2.105 -7.353 1.00 0.00 H new ATOM 1265 N THR A 84 8.817 -0.637 -4.190 1.00 0.00 N ATOM 1266 CA THR A 84 8.296 -1.888 -3.670 1.00 0.00 C ATOM 1267 C THR A 84 6.806 -1.776 -3.357 1.00 0.00 C ATOM 1268 O THR A 84 6.351 -0.782 -2.793 1.00 0.00 O ATOM 1269 CB THR A 84 9.100 -2.279 -2.419 1.00 0.00 C ATOM 1270 OG1 THR A 84 10.002 -3.323 -2.721 1.00 0.00 O ATOM 1271 CG2 THR A 84 8.254 -2.739 -1.249 1.00 0.00 C ATOM 0 H THR A 84 9.226 -0.031 -3.478 1.00 0.00 H new ATOM 0 HA THR A 84 8.404 -2.667 -4.425 1.00 0.00 H new ATOM 0 HB THR A 84 9.613 -1.364 -2.123 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.042 -3.450 -3.692 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.901 -2.995 -0.410 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.576 -1.938 -0.953 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.675 -3.615 -1.541 1.00 0.00 H new ATOM 1279 N ILE A 85 6.056 -2.809 -3.724 1.00 0.00 N ATOM 1280 CA ILE A 85 4.620 -2.837 -3.481 1.00 0.00 C ATOM 1281 C ILE A 85 4.207 -4.153 -2.834 1.00 0.00 C ATOM 1282 O ILE A 85 4.230 -5.204 -3.474 1.00 0.00 O ATOM 1283 CB ILE A 85 3.825 -2.645 -4.786 1.00 0.00 C ATOM 1284 CG1 ILE A 85 4.360 -1.441 -5.563 1.00 0.00 C ATOM 1285 CG2 ILE A 85 2.344 -2.472 -4.483 1.00 0.00 C ATOM 1286 CD1 ILE A 85 3.869 -1.378 -6.993 1.00 0.00 C ATOM 0 H ILE A 85 6.420 -3.639 -4.192 1.00 0.00 H new ATOM 0 HA ILE A 85 4.393 -2.012 -2.806 1.00 0.00 H new ATOM 0 HB ILE A 85 3.948 -3.535 -5.403 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.068 -0.527 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.450 -1.473 -5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.795 -2.337 -5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.972 -3.358 -3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.202 -1.597 -3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.288 -0.499 -7.483 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.184 -2.275 -7.526 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.781 -1.314 -7.002 1.00 0.00 H new ATOM 1298 N LYS A 86 3.832 -4.089 -1.561 1.00 0.00 N ATOM 1299 CA LYS A 86 3.418 -5.280 -0.827 1.00 0.00 C ATOM 1300 C LYS A 86 1.900 -5.328 -0.682 1.00 0.00 C ATOM 1301 O LYS A 86 1.293 -4.434 -0.093 1.00 0.00 O ATOM 1302 CB LYS A 86 4.080 -5.310 0.552 1.00 0.00 C ATOM 1303 CG LYS A 86 5.222 -6.308 0.655 1.00 0.00 C ATOM 1304 CD LYS A 86 6.445 -5.836 -0.114 1.00 0.00 C ATOM 1305 CE LYS A 86 7.683 -6.632 0.264 1.00 0.00 C ATOM 1306 NZ LYS A 86 8.933 -5.971 -0.202 1.00 0.00 N ATOM 0 H LYS A 86 3.806 -3.227 -1.017 1.00 0.00 H new ATOM 0 HA LYS A 86 3.737 -6.156 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.456 -4.314 0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.327 -5.552 1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.484 -6.456 1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.898 -7.274 0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.262 -5.932 -1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.616 -4.778 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.719 -6.754 1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.618 -7.631 -0.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.757 -6.510 0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.941 -5.938 -1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.975 -5.003 0.176 1.00 0.00 H new ATOM 1320 N LEU A 87 1.294 -6.378 -1.227 1.00 0.00 N ATOM 1321 CA LEU A 87 -0.153 -6.545 -1.162 1.00 0.00 C ATOM 1322 C LEU A 87 -0.535 -7.615 -0.144 1.00 0.00 C ATOM 1323 O LEU A 87 -0.023 -8.735 -0.185 1.00 0.00 O ATOM 1324 CB LEU A 87 -0.705 -6.915 -2.541 1.00 0.00 C ATOM 1325 CG LEU A 87 -1.902 -6.084 -3.004 1.00 0.00 C ATOM 1326 CD1 LEU A 87 -3.045 -6.192 -2.007 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -1.497 -4.630 -3.199 1.00 0.00 C ATOM 0 H LEU A 87 1.783 -7.126 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.589 -5.598 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.094 -6.813 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.994 -7.966 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.245 -6.477 -3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.888 -5.594 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.352 -7.234 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.716 -5.826 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.361 -4.053 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.128 -4.225 -2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.711 -4.569 -3.952 1.00 0.00 H new ATOM 1339 N TYR A 88 -1.439 -7.262 0.764 1.00 0.00 N ATOM 1340 CA TYR A 88 -1.898 -8.191 1.789 1.00 0.00 C ATOM 1341 C TYR A 88 -3.422 -8.176 1.889 1.00 0.00 C ATOM 1342 O TYR A 88 -3.997 -7.355 2.603 1.00 0.00 O ATOM 1343 CB TYR A 88 -1.276 -7.835 3.140 1.00 0.00 C ATOM 1344 CG TYR A 88 0.044 -8.527 3.395 1.00 0.00 C ATOM 1345 CD1 TYR A 88 0.086 -9.832 3.869 1.00 0.00 C ATOM 1346 CD2 TYR A 88 1.248 -7.876 3.158 1.00 0.00 C ATOM 1347 CE1 TYR A 88 1.291 -10.468 4.101 1.00 0.00 C ATOM 1348 CE2 TYR A 88 2.457 -8.505 3.388 1.00 0.00 C ATOM 1349 CZ TYR A 88 2.473 -9.800 3.859 1.00 0.00 C ATOM 1350 OH TYR A 88 3.675 -10.430 4.089 1.00 0.00 O ATOM 0 H TYR A 88 -1.868 -6.338 0.810 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.583 -9.196 1.508 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.128 -6.756 3.190 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.975 -8.098 3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.838 -10.358 4.059 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.239 -6.861 2.788 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.307 -11.483 4.470 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.384 -7.984 3.200 1.00 0.00 H new ATOM 0 HH TYR A 88 3.571 -11.078 4.817 1.00 0.00 H new ATOM 1360 N PRO A 89 -4.099 -9.087 1.166 1.00 0.00 N ATOM 1361 CA PRO A 89 -5.560 -9.172 1.170 1.00 0.00 C ATOM 1362 C PRO A 89 -6.100 -9.913 2.387 1.00 0.00 C ATOM 1363 O PRO A 89 -5.416 -10.753 2.971 1.00 0.00 O ATOM 1364 CB PRO A 89 -5.857 -9.953 -0.106 1.00 0.00 C ATOM 1365 CG PRO A 89 -4.678 -10.848 -0.277 1.00 0.00 C ATOM 1366 CD PRO A 89 -3.493 -10.100 0.279 1.00 0.00 C ATOM 0 HA PRO A 89 -6.029 -8.189 1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.780 -10.525 -0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.977 -9.287 -0.960 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.825 -11.790 0.251 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -4.525 -11.092 -1.328 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -2.823 -10.763 0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.905 -9.637 -0.513 1.00 0.00 H new ATOM 1374 N ALA A 90 -7.336 -9.598 2.761 1.00 0.00 N ATOM 1375 CA ALA A 90 -7.975 -10.234 3.906 1.00 0.00 C ATOM 1376 C ALA A 90 -8.481 -11.627 3.547 1.00 0.00 C ATOM 1377 O ALA A 90 -9.345 -11.781 2.683 1.00 0.00 O ATOM 1378 CB ALA A 90 -9.117 -9.367 4.416 1.00 0.00 C ATOM 0 H ALA A 90 -7.915 -8.905 2.287 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.233 -10.341 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.588 -9.851 5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.729 -8.394 4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.854 -9.233 3.624 1.00 0.00 H new ATOM 1384 N GLY A 91 -7.937 -12.639 4.214 1.00 0.00 N ATOM 1385 CA GLY A 91 -8.344 -14.007 3.950 1.00 0.00 C ATOM 1386 C GLY A 91 -7.229 -14.837 3.346 1.00 0.00 C ATOM 1387 O GLY A 91 -7.079 -16.015 3.668 1.00 0.00 O ATOM 0 H GLY A 91 -7.221 -12.536 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.675 -14.470 4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.198 -14.004 3.273 1.00 0.00 H new ATOM 1391 N ALA A 92 -6.444 -14.220 2.469 1.00 0.00 N ATOM 1392 CA ALA A 92 -5.335 -14.908 1.819 1.00 0.00 C ATOM 1393 C ALA A 92 -3.992 -14.286 2.197 1.00 0.00 C ATOM 1394 O ALA A 92 -2.965 -14.595 1.593 1.00 0.00 O ATOM 1395 CB ALA A 92 -5.519 -14.890 0.309 1.00 0.00 C ATOM 0 H ALA A 92 -6.555 -13.245 2.192 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.332 -15.941 2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.685 -15.407 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.451 -15.392 0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.553 -13.858 -0.041 1.00 0.00 H new ATOM 1401 N LYS A 93 -4.003 -13.409 3.199 1.00 0.00 N ATOM 1402 CA LYS A 93 -2.782 -12.750 3.649 1.00 0.00 C ATOM 1403 C LYS A 93 -1.758 -13.774 4.130 1.00 0.00 C ATOM 1404 O LYS A 93 -1.961 -14.981 3.993 1.00 0.00 O ATOM 1405 CB LYS A 93 -3.094 -11.752 4.768 1.00 0.00 C ATOM 1406 CG LYS A 93 -3.876 -12.353 5.926 1.00 0.00 C ATOM 1407 CD LYS A 93 -2.994 -13.232 6.799 1.00 0.00 C ATOM 1408 CE LYS A 93 -3.614 -13.459 8.169 1.00 0.00 C ATOM 1409 NZ LYS A 93 -4.173 -14.833 8.305 1.00 0.00 N ATOM 0 H LYS A 93 -4.842 -13.140 3.712 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.358 -12.209 2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.158 -11.342 5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.661 -10.919 4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.306 -11.554 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.707 -12.942 5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.835 -14.192 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.015 -12.766 6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.861 -13.296 8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.405 -12.727 8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.586 -14.947 9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.910 -14.981 7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.414 -15.531 8.172 1.00 0.00 H new ATOM 1423 N GLY A 94 -0.656 -13.286 4.689 1.00 0.00 N ATOM 1424 CA GLY A 94 0.385 -14.171 5.176 1.00 0.00 C ATOM 1425 C GLY A 94 1.596 -14.195 4.263 1.00 0.00 C ATOM 1426 O GLY A 94 2.680 -14.615 4.668 1.00 0.00 O ATOM 0 H GLY A 94 -0.465 -12.292 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.691 -13.854 6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.015 -15.180 5.271 1.00 0.00 H new ATOM 1430 N GLN A 95 1.410 -13.739 3.027 1.00 0.00 N ATOM 1431 CA GLN A 95 2.492 -13.704 2.052 1.00 0.00 C ATOM 1432 C GLN A 95 2.604 -12.316 1.421 1.00 0.00 C ATOM 1433 O GLN A 95 1.645 -11.818 0.832 1.00 0.00 O ATOM 1434 CB GLN A 95 2.268 -14.758 0.961 1.00 0.00 C ATOM 1435 CG GLN A 95 0.804 -14.982 0.608 1.00 0.00 C ATOM 1436 CD GLN A 95 0.234 -13.871 -0.253 1.00 0.00 C ATOM 1437 OE1 GLN A 95 0.535 -13.777 -1.443 1.00 0.00 O ATOM 1438 NE2 GLN A 95 -0.594 -13.023 0.346 1.00 0.00 N ATOM 0 H GLN A 95 0.518 -13.388 2.678 1.00 0.00 H new ATOM 0 HA GLN A 95 3.423 -13.928 2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.806 -14.456 0.062 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.701 -15.703 1.289 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.702 -15.932 0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.221 -15.061 1.526 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.815 -13.139 1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.009 -12.256 -0.183 1.00 0.00 H new ATOM 1447 N PRO A 96 3.776 -11.667 1.535 1.00 0.00 N ATOM 1448 CA PRO A 96 3.991 -10.332 0.969 1.00 0.00 C ATOM 1449 C PRO A 96 4.040 -10.354 -0.555 1.00 0.00 C ATOM 1450 O PRO A 96 5.012 -10.825 -1.146 1.00 0.00 O ATOM 1451 CB PRO A 96 5.347 -9.915 1.541 1.00 0.00 C ATOM 1452 CG PRO A 96 6.049 -11.198 1.822 1.00 0.00 C ATOM 1453 CD PRO A 96 4.980 -12.177 2.221 1.00 0.00 C ATOM 0 HA PRO A 96 3.181 -9.647 1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 96 5.906 -9.305 0.831 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.229 -9.321 2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.590 -11.548 0.942 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.782 -11.075 2.619 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.225 -13.191 1.903 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.845 -12.206 3.302 1.00 0.00 H new ATOM 1461 N VAL A 97 2.989 -9.841 -1.187 1.00 0.00 N ATOM 1462 CA VAL A 97 2.923 -9.805 -2.643 1.00 0.00 C ATOM 1463 C VAL A 97 3.732 -8.637 -3.196 1.00 0.00 C ATOM 1464 O VAL A 97 3.316 -7.483 -3.104 1.00 0.00 O ATOM 1465 CB VAL A 97 1.468 -9.688 -3.139 1.00 0.00 C ATOM 1466 CG1 VAL A 97 1.408 -9.807 -4.655 1.00 0.00 C ATOM 1467 CG2 VAL A 97 0.591 -10.742 -2.480 1.00 0.00 C ATOM 0 H VAL A 97 2.175 -9.446 -0.716 1.00 0.00 H new ATOM 0 HA VAL A 97 3.345 -10.743 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 97 1.088 -8.706 -2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.373 -9.722 -4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.000 -9.011 -5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.808 -10.774 -4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.432 -10.643 -2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.969 -11.735 -2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.607 -10.605 -1.399 1.00 0.00 H new ATOM 1477 N THR A 98 4.890 -8.946 -3.770 1.00 0.00 N ATOM 1478 CA THR A 98 5.759 -7.921 -4.336 1.00 0.00 C ATOM 1479 C THR A 98 5.477 -7.727 -5.821 1.00 0.00 C ATOM 1480 O THR A 98 5.449 -8.689 -6.589 1.00 0.00 O ATOM 1481 CB THR A 98 7.229 -8.292 -4.129 1.00 0.00 C ATOM 1482 OG1 THR A 98 7.461 -9.645 -4.481 1.00 0.00 O ATOM 1483 CG2 THR A 98 7.699 -8.099 -2.703 1.00 0.00 C ATOM 0 H THR A 98 5.248 -9.897 -3.855 1.00 0.00 H new ATOM 0 HA THR A 98 5.553 -6.984 -3.819 1.00 0.00 H new ATOM 0 HB THR A 98 7.791 -7.616 -4.774 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.868 -9.897 -5.219 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.749 -8.380 -2.625 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.581 -7.053 -2.419 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.105 -8.725 -2.036 1.00 0.00 H new ATOM 1491 N TYR A 99 5.268 -6.477 -6.219 1.00 0.00 N ATOM 1492 CA TYR A 99 4.988 -6.156 -7.613 1.00 0.00 C ATOM 1493 C TYR A 99 6.223 -6.373 -8.481 1.00 0.00 C ATOM 1494 O TYR A 99 7.295 -6.713 -7.981 1.00 0.00 O ATOM 1495 CB TYR A 99 4.511 -4.708 -7.739 1.00 0.00 C ATOM 1496 CG TYR A 99 3.018 -4.547 -7.575 1.00 0.00 C ATOM 1497 CD1 TYR A 99 2.353 -5.113 -6.494 1.00 0.00 C ATOM 1498 CD2 TYR A 99 2.272 -3.828 -8.500 1.00 0.00 C ATOM 1499 CE1 TYR A 99 0.988 -4.969 -6.340 1.00 0.00 C ATOM 1500 CE2 TYR A 99 0.906 -3.679 -8.354 1.00 0.00 C ATOM 1501 CZ TYR A 99 0.268 -4.251 -7.272 1.00 0.00 C ATOM 1502 OH TYR A 99 -1.092 -4.104 -7.123 1.00 0.00 O ATOM 0 H TYR A 99 5.287 -5.670 -5.596 1.00 0.00 H new ATOM 0 HA TYR A 99 4.200 -6.823 -7.961 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.018 -4.101 -6.989 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.805 -4.321 -8.715 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.913 -5.675 -5.762 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.768 -3.378 -9.347 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.487 -5.416 -5.494 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.340 -3.118 -9.083 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.290 -3.798 -6.213 1.00 0.00 H new ATOM 1512 N SER A 100 6.064 -6.173 -9.785 1.00 0.00 N ATOM 1513 CA SER A 100 7.165 -6.345 -10.725 1.00 0.00 C ATOM 1514 C SER A 100 7.672 -4.995 -11.225 1.00 0.00 C ATOM 1515 O SER A 100 8.825 -4.869 -11.637 1.00 0.00 O ATOM 1516 CB SER A 100 6.722 -7.206 -11.909 1.00 0.00 C ATOM 1517 OG SER A 100 7.763 -8.071 -12.329 1.00 0.00 O ATOM 0 H SER A 100 5.183 -5.892 -10.215 1.00 0.00 H new ATOM 0 HA SER A 100 7.979 -6.847 -10.203 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.848 -7.794 -11.628 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.422 -6.564 -12.737 1.00 0.00 H new ATOM 0 HG SER A 100 7.454 -8.612 -13.086 1.00 0.00 H new ATOM 1523 N GLY A 101 6.804 -3.988 -11.187 1.00 0.00 N ATOM 1524 CA GLY A 101 7.185 -2.664 -11.640 1.00 0.00 C ATOM 1525 C GLY A 101 6.109 -1.629 -11.377 1.00 0.00 C ATOM 1526 O GLY A 101 5.006 -1.721 -11.915 1.00 0.00 O ATOM 0 H GLY A 101 5.844 -4.066 -10.851 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.105 -2.363 -11.139 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.400 -2.697 -12.708 1.00 0.00 H new ATOM 1530 N SER A 102 6.431 -0.643 -10.547 1.00 0.00 N ATOM 1531 CA SER A 102 5.484 0.413 -10.213 1.00 0.00 C ATOM 1532 C SER A 102 5.365 1.419 -11.354 1.00 0.00 C ATOM 1533 O SER A 102 6.338 1.696 -12.054 1.00 0.00 O ATOM 1534 CB SER A 102 5.917 1.126 -8.932 1.00 0.00 C ATOM 1535 OG SER A 102 6.964 2.045 -9.189 1.00 0.00 O ATOM 0 H SER A 102 7.340 -0.553 -10.094 1.00 0.00 H new ATOM 0 HA SER A 102 4.508 -0.045 -10.054 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.066 1.651 -8.499 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.246 0.392 -8.197 1.00 0.00 H new ATOM 0 HG SER A 102 7.672 1.600 -9.700 1.00 0.00 H new ATOM 1541 N ARG A 103 4.165 1.962 -11.535 1.00 0.00 N ATOM 1542 CA ARG A 103 3.919 2.936 -12.591 1.00 0.00 C ATOM 1543 C ARG A 103 2.850 3.940 -12.169 1.00 0.00 C ATOM 1544 O ARG A 103 3.152 5.098 -11.882 1.00 0.00 O ATOM 1545 CB ARG A 103 3.492 2.228 -13.878 1.00 0.00 C ATOM 1546 CG ARG A 103 4.647 1.926 -14.819 1.00 0.00 C ATOM 1547 CD ARG A 103 4.357 0.711 -15.686 1.00 0.00 C ATOM 1548 NE ARG A 103 5.565 0.190 -16.320 1.00 0.00 N ATOM 1549 CZ ARG A 103 5.557 -0.664 -17.341 1.00 0.00 C ATOM 1550 NH1 ARG A 103 4.408 -1.094 -17.847 1.00 0.00 N ATOM 1551 NH2 ARG A 103 6.702 -1.088 -17.859 1.00 0.00 N ATOM 0 H ARG A 103 3.349 1.744 -10.964 1.00 0.00 H new ATOM 0 HA ARG A 103 4.847 3.478 -12.774 1.00 0.00 H new ATOM 0 HB2 ARG A 103 2.991 1.295 -13.620 1.00 0.00 H new ATOM 0 HB3 ARG A 103 2.763 2.848 -14.399 1.00 0.00 H new ATOM 0 HG2 ARG A 103 4.835 2.791 -15.455 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.554 1.753 -14.240 1.00 0.00 H new ATOM 0 HD2 ARG A 103 3.902 -0.069 -15.076 1.00 0.00 H new ATOM 0 HD3 ARG A 103 3.631 0.979 -16.454 1.00 0.00 H new ATOM 0 HE ARG A 103 6.468 0.499 -15.959 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.524 -0.770 -17.454 1.00 0.00 H new ATOM 0 HH12 ARG A 103 4.408 -1.748 -18.629 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.588 -0.760 -17.475 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.696 -1.742 -18.641 1.00 0.00 H new ATOM 1565 N THR A 104 1.601 3.488 -12.135 1.00 0.00 N ATOM 1566 CA THR A 104 0.488 4.347 -11.750 1.00 0.00 C ATOM 1567 C THR A 104 -0.407 3.654 -10.727 1.00 0.00 C ATOM 1568 O THR A 104 -0.319 2.443 -10.529 1.00 0.00 O ATOM 1569 CB THR A 104 -0.331 4.739 -12.980 1.00 0.00 C ATOM 1570 OG1 THR A 104 0.520 5.047 -14.070 1.00 0.00 O ATOM 1571 CG2 THR A 104 -1.229 5.934 -12.747 1.00 0.00 C ATOM 0 H THR A 104 1.334 2.532 -12.369 1.00 0.00 H new ATOM 0 HA THR A 104 0.899 5.248 -11.294 1.00 0.00 H new ATOM 0 HB THR A 104 -0.957 3.873 -13.198 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.022 5.294 -14.848 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.781 6.158 -13.660 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.931 5.710 -11.944 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.623 6.796 -12.469 1.00 0.00 H new ATOM 1579 N VAL A 105 -1.266 4.433 -10.078 1.00 0.00 N ATOM 1580 CA VAL A 105 -2.177 3.898 -9.073 1.00 0.00 C ATOM 1581 C VAL A 105 -3.298 3.086 -9.713 1.00 0.00 C ATOM 1582 O VAL A 105 -3.827 2.156 -9.105 1.00 0.00 O ATOM 1583 CB VAL A 105 -2.796 5.023 -8.222 1.00 0.00 C ATOM 1584 CG1 VAL A 105 -1.772 5.576 -7.242 1.00 0.00 C ATOM 1585 CG2 VAL A 105 -3.346 6.129 -9.113 1.00 0.00 C ATOM 0 H VAL A 105 -1.350 5.438 -10.230 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.586 3.246 -8.430 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.624 4.606 -7.649 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.227 6.370 -6.649 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.433 4.778 -6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.921 5.977 -7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.779 6.914 -8.493 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.539 6.546 -9.716 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.114 5.720 -9.769 1.00 0.00 H new ATOM 1595 N GLU A 106 -3.658 3.442 -10.943 1.00 0.00 N ATOM 1596 CA GLU A 106 -4.720 2.743 -11.660 1.00 0.00 C ATOM 1597 C GLU A 106 -4.411 1.253 -11.776 1.00 0.00 C ATOM 1598 O GLU A 106 -5.317 0.420 -11.796 1.00 0.00 O ATOM 1599 CB GLU A 106 -4.908 3.348 -13.053 1.00 0.00 C ATOM 1600 CG GLU A 106 -3.717 3.142 -13.975 1.00 0.00 C ATOM 1601 CD GLU A 106 -3.683 4.141 -15.115 1.00 0.00 C ATOM 1602 OE1 GLU A 106 -4.541 4.042 -16.017 1.00 0.00 O ATOM 1603 OE2 GLU A 106 -2.798 5.022 -15.106 1.00 0.00 O ATOM 0 H GLU A 106 -3.231 4.209 -11.463 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.644 2.860 -11.093 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.793 2.909 -13.514 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.098 4.417 -12.953 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.796 3.224 -13.397 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.748 2.132 -14.383 1.00 0.00 H new ATOM 1610 N ASP A 107 -3.125 0.925 -11.851 1.00 0.00 N ATOM 1611 CA ASP A 107 -2.697 -0.464 -11.962 1.00 0.00 C ATOM 1612 C ASP A 107 -2.809 -1.176 -10.618 1.00 0.00 C ATOM 1613 O ASP A 107 -3.042 -2.383 -10.560 1.00 0.00 O ATOM 1614 CB ASP A 107 -1.257 -0.537 -12.473 1.00 0.00 C ATOM 1615 CG ASP A 107 -1.167 -0.361 -13.976 1.00 0.00 C ATOM 1616 OD1 ASP A 107 -1.403 -1.348 -14.704 1.00 0.00 O ATOM 1617 OD2 ASP A 107 -0.861 0.763 -14.425 1.00 0.00 O ATOM 0 H ASP A 107 -2.362 1.602 -11.837 1.00 0.00 H new ATOM 0 HA ASP A 107 -3.353 -0.965 -12.674 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.661 0.233 -11.983 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.824 -1.498 -12.196 1.00 0.00 H new ATOM 1622 N LEU A 108 -2.641 -0.419 -9.538 1.00 0.00 N ATOM 1623 CA LEU A 108 -2.723 -0.975 -8.193 1.00 0.00 C ATOM 1624 C LEU A 108 -4.164 -1.322 -7.834 1.00 0.00 C ATOM 1625 O LEU A 108 -4.451 -2.429 -7.378 1.00 0.00 O ATOM 1626 CB LEU A 108 -2.156 0.015 -7.175 1.00 0.00 C ATOM 1627 CG LEU A 108 -1.852 -0.577 -5.799 1.00 0.00 C ATOM 1628 CD1 LEU A 108 -0.409 -1.050 -5.728 1.00 0.00 C ATOM 1629 CD2 LEU A 108 -2.136 0.441 -4.705 1.00 0.00 C ATOM 0 H LEU A 108 -2.447 0.582 -9.569 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.132 -1.890 -8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.240 0.444 -7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.865 0.834 -7.053 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.503 -1.438 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.211 -1.468 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.239 -1.814 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.259 -0.207 -5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.914 0.002 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.512 1.322 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.186 0.730 -4.741 1.00 0.00 H new ATOM 1641 N ILE A 109 -5.068 -0.370 -8.044 1.00 0.00 N ATOM 1642 CA ILE A 109 -6.480 -0.575 -7.743 1.00 0.00 C ATOM 1643 C ILE A 109 -7.033 -1.780 -8.498 1.00 0.00 C ATOM 1644 O ILE A 109 -7.727 -2.620 -7.924 1.00 0.00 O ATOM 1645 CB ILE A 109 -7.316 0.672 -8.096 1.00 0.00 C ATOM 1646 CG1 ILE A 109 -8.794 0.441 -7.761 1.00 0.00 C ATOM 1647 CG2 ILE A 109 -7.143 1.024 -9.566 1.00 0.00 C ATOM 1648 CD1 ILE A 109 -9.707 1.554 -8.228 1.00 0.00 C ATOM 0 H ILE A 109 -4.847 0.551 -8.422 1.00 0.00 H new ATOM 0 HA ILE A 109 -6.554 -0.759 -6.671 1.00 0.00 H new ATOM 0 HB ILE A 109 -6.961 1.511 -7.498 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.118 -0.496 -8.214 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.899 0.326 -6.682 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -7.739 1.906 -9.801 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -6.092 1.231 -9.769 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -7.474 0.188 -10.182 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -10.736 1.319 -7.955 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.411 2.490 -7.755 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.633 1.655 -9.311 1.00 0.00 H new ATOM 1660 N LYS A 110 -6.723 -1.859 -9.788 1.00 0.00 N ATOM 1661 CA LYS A 110 -7.193 -2.961 -10.618 1.00 0.00 C ATOM 1662 C LYS A 110 -6.627 -4.289 -10.126 1.00 0.00 C ATOM 1663 O LYS A 110 -7.308 -5.314 -10.152 1.00 0.00 O ATOM 1664 CB LYS A 110 -6.796 -2.734 -12.078 1.00 0.00 C ATOM 1665 CG LYS A 110 -7.780 -3.325 -13.075 1.00 0.00 C ATOM 1666 CD LYS A 110 -7.155 -3.477 -14.452 1.00 0.00 C ATOM 1667 CE LYS A 110 -6.186 -4.648 -14.497 1.00 0.00 C ATOM 1668 NZ LYS A 110 -5.368 -4.644 -15.741 1.00 0.00 N ATOM 0 H LYS A 110 -6.149 -1.174 -10.280 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.280 -2.999 -10.547 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.707 -1.663 -12.259 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.812 -3.169 -12.250 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.120 -4.298 -12.719 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.660 -2.685 -13.142 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.939 -3.623 -15.195 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.631 -2.559 -14.718 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.527 -4.608 -13.629 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.743 -5.583 -14.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.720 -5.458 -15.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.995 -4.708 -16.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.817 -3.763 -15.791 1.00 0.00 H new ATOM 1682 N PHE A 111 -5.376 -4.262 -9.678 1.00 0.00 N ATOM 1683 CA PHE A 111 -4.716 -5.463 -9.179 1.00 0.00 C ATOM 1684 C PHE A 111 -5.437 -6.010 -7.951 1.00 0.00 C ATOM 1685 O PHE A 111 -5.811 -7.181 -7.910 1.00 0.00 O ATOM 1686 CB PHE A 111 -3.255 -5.161 -8.838 1.00 0.00 C ATOM 1687 CG PHE A 111 -2.290 -6.178 -9.379 1.00 0.00 C ATOM 1688 CD1 PHE A 111 -2.088 -6.303 -10.744 1.00 0.00 C ATOM 1689 CD2 PHE A 111 -1.585 -7.007 -8.521 1.00 0.00 C ATOM 1690 CE1 PHE A 111 -1.200 -7.237 -11.244 1.00 0.00 C ATOM 1691 CE2 PHE A 111 -0.696 -7.943 -9.016 1.00 0.00 C ATOM 1692 CZ PHE A 111 -0.503 -8.058 -10.379 1.00 0.00 C ATOM 0 H PHE A 111 -4.799 -3.421 -9.650 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.750 -6.220 -9.963 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.994 -4.179 -9.232 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.146 -5.109 -7.755 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.630 -5.664 -11.425 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.732 -6.921 -7.454 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.051 -7.325 -12.310 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.153 -8.584 -8.337 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.191 -8.788 -10.767 1.00 0.00 H new ATOM 1702 N ILE A 112 -5.629 -5.154 -6.953 1.00 0.00 N ATOM 1703 CA ILE A 112 -6.306 -5.552 -5.723 1.00 0.00 C ATOM 1704 C ILE A 112 -7.681 -6.144 -6.020 1.00 0.00 C ATOM 1705 O ILE A 112 -8.172 -6.999 -5.284 1.00 0.00 O ATOM 1706 CB ILE A 112 -6.469 -4.361 -4.758 1.00 0.00 C ATOM 1707 CG1 ILE A 112 -5.128 -3.652 -4.552 1.00 0.00 C ATOM 1708 CG2 ILE A 112 -7.036 -4.829 -3.424 1.00 0.00 C ATOM 1709 CD1 ILE A 112 -5.224 -2.144 -4.632 1.00 0.00 C ATOM 0 H ILE A 112 -5.326 -4.180 -6.971 1.00 0.00 H new ATOM 0 HA ILE A 112 -5.681 -6.309 -5.249 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.169 -3.652 -5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.724 -3.931 -3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.421 -4.004 -5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.144 -3.975 -2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.010 -5.290 -3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.359 -5.557 -2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.237 -1.708 -4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.598 -1.855 -5.614 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.906 -1.782 -3.863 1.00 0.00 H new ATOM 1721 N ALA A 113 -8.296 -5.684 -7.104 1.00 0.00 N ATOM 1722 CA ALA A 113 -9.613 -6.170 -7.497 1.00 0.00 C ATOM 1723 C ALA A 113 -9.531 -7.583 -8.063 1.00 0.00 C ATOM 1724 O ALA A 113 -10.473 -8.367 -7.940 1.00 0.00 O ATOM 1725 CB ALA A 113 -10.240 -5.228 -8.514 1.00 0.00 C ATOM 0 H ALA A 113 -7.904 -4.976 -7.725 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.242 -6.200 -6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -11.223 -5.603 -8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -10.343 -4.235 -8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -9.604 -5.170 -9.397 1.00 0.00 H new ATOM 1731 N GLU A 114 -8.401 -7.902 -8.685 1.00 0.00 N ATOM 1732 CA GLU A 114 -8.198 -9.221 -9.273 1.00 0.00 C ATOM 1733 C GLU A 114 -7.495 -10.160 -8.296 1.00 0.00 C ATOM 1734 O GLU A 114 -7.649 -11.379 -8.374 1.00 0.00 O ATOM 1735 CB GLU A 114 -7.382 -9.107 -10.562 1.00 0.00 C ATOM 1736 CG GLU A 114 -8.228 -8.836 -11.796 1.00 0.00 C ATOM 1737 CD GLU A 114 -7.723 -9.571 -13.022 1.00 0.00 C ATOM 1738 OE1 GLU A 114 -8.074 -10.759 -13.188 1.00 0.00 O ATOM 1739 OE2 GLU A 114 -6.977 -8.961 -13.816 1.00 0.00 O ATOM 0 H GLU A 114 -7.612 -7.265 -8.795 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.178 -9.638 -9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.651 -8.306 -10.450 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.823 -10.031 -10.711 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.258 -9.132 -11.598 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.238 -7.765 -11.997 1.00 0.00 H new ATOM 1746 N ASN A 115 -6.720 -9.588 -7.378 1.00 0.00 N ATOM 1747 CA ASN A 115 -5.993 -10.382 -6.392 1.00 0.00 C ATOM 1748 C ASN A 115 -6.479 -10.082 -4.977 1.00 0.00 C ATOM 1749 O ASN A 115 -5.756 -10.302 -4.005 1.00 0.00 O ATOM 1750 CB ASN A 115 -4.491 -10.109 -6.495 1.00 0.00 C ATOM 1751 CG ASN A 115 -3.988 -10.172 -7.923 1.00 0.00 C ATOM 1752 OD1 ASN A 115 -3.273 -11.100 -8.301 1.00 0.00 O ATOM 1753 ND2 ASN A 115 -4.360 -9.182 -8.726 1.00 0.00 N ATOM 0 H ASN A 115 -6.580 -8.581 -7.297 1.00 0.00 H new ATOM 0 HA ASN A 115 -6.182 -11.434 -6.603 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -4.274 -9.125 -6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -3.950 -10.837 -5.890 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.052 -9.171 -9.698 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.954 -8.433 -8.370 1.00 0.00 H new ATOM 1760 N GLY A 116 -7.705 -9.581 -4.866 1.00 0.00 N ATOM 1761 CA GLY A 116 -8.259 -9.265 -3.562 1.00 0.00 C ATOM 1762 C GLY A 116 -9.683 -9.759 -3.401 1.00 0.00 C ATOM 1763 O GLY A 116 -10.493 -9.652 -4.322 1.00 0.00 O ATOM 0 H GLY A 116 -8.324 -9.388 -5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -7.634 -9.710 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.233 -8.186 -3.412 1.00 0.00 H new ATOM 1767 N LYS A 117 -9.989 -10.301 -2.227 1.00 0.00 N ATOM 1768 CA LYS A 117 -11.325 -10.815 -1.946 1.00 0.00 C ATOM 1769 C LYS A 117 -12.288 -9.688 -1.571 1.00 0.00 C ATOM 1770 O LYS A 117 -13.487 -9.916 -1.411 1.00 0.00 O ATOM 1771 CB LYS A 117 -11.269 -11.846 -0.817 1.00 0.00 C ATOM 1772 CG LYS A 117 -12.495 -12.742 -0.750 1.00 0.00 C ATOM 1773 CD LYS A 117 -12.278 -14.045 -1.506 1.00 0.00 C ATOM 1774 CE LYS A 117 -12.359 -15.249 -0.580 1.00 0.00 C ATOM 1775 NZ LYS A 117 -13.684 -15.925 -0.663 1.00 0.00 N ATOM 0 H LYS A 117 -9.330 -10.396 -1.454 1.00 0.00 H new ATOM 0 HA LYS A 117 -11.695 -11.292 -2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -10.382 -12.467 -0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.157 -11.325 0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -12.731 -12.960 0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -13.354 -12.217 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -13.027 -14.139 -2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -11.304 -14.025 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.573 -15.959 -0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -12.178 -14.930 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.699 -16.740 -0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -14.433 -15.256 -0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -13.847 -16.252 -1.637 1.00 0.00 H new ATOM 1789 N TYR A 118 -11.761 -8.474 -1.430 1.00 0.00 N ATOM 1790 CA TYR A 118 -12.582 -7.322 -1.074 1.00 0.00 C ATOM 1791 C TYR A 118 -13.059 -6.574 -2.318 1.00 0.00 C ATOM 1792 O TYR A 118 -13.403 -5.394 -2.247 1.00 0.00 O ATOM 1793 CB TYR A 118 -11.796 -6.374 -0.165 1.00 0.00 C ATOM 1794 CG TYR A 118 -11.830 -6.766 1.296 1.00 0.00 C ATOM 1795 CD1 TYR A 118 -11.769 -8.101 1.679 1.00 0.00 C ATOM 1796 CD2 TYR A 118 -11.923 -5.802 2.292 1.00 0.00 C ATOM 1797 CE1 TYR A 118 -11.801 -8.462 3.012 1.00 0.00 C ATOM 1798 CE2 TYR A 118 -11.955 -6.156 3.627 1.00 0.00 C ATOM 1799 CZ TYR A 118 -11.893 -7.487 3.982 1.00 0.00 C ATOM 1800 OH TYR A 118 -11.925 -7.843 5.311 1.00 0.00 O ATOM 0 H TYR A 118 -10.771 -8.264 -1.557 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.459 -7.688 -0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -10.759 -6.341 -0.499 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -12.198 -5.366 -0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -11.695 -8.868 0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -11.971 -4.758 2.018 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -11.754 -9.504 3.293 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -12.028 -5.394 4.389 1.00 0.00 H new ATOM 0 HH TYR A 118 -11.878 -7.037 5.867 1.00 0.00 H new