USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=20 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 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.16) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.363 X(o=-0.36,f=-0.11) 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 180:sc= -0.928 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -146:sc= 1.26 USER MOD Single : A 60 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0256) USER MOD Single : A 71 THR OG1 : rot -48:sc= 0.569 USER MOD Single : A 73 ASN : amide:sc= -0.518 X(o=-0.52,f=-0.067) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 84 THR OG1 : rot -59:sc= -6.34! USER MOD Single : A 86 LYS NZ :NH3+ 173:sc= -1.14 (180deg=-1.38) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.608 USER MOD Single : A 93 LYS NZ :NH3+ 136:sc= 0.486 (180deg=-1.8!) USER MOD Single : A 95 GLN : amide:sc= -2.34 K(o=-2.3,f=-1.8) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : A 99 TYR OH : rot 150:sc= -1.18 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 154:sc= -2.68! 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= -1.82 K(o=-1.8,f=-1.2) USER MOD Single : A 117 LYS NZ :NH3+ 157:sc= -0.0973 (180deg=-0.488) USER MOD Single : A 118 TYR OH : rot -159:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 9 -2.223 9.692 4.288 1.00 0.00 N ATOM 98 CA VAL A 9 -0.884 9.134 4.435 1.00 0.00 C ATOM 99 C VAL A 9 -0.775 8.298 5.706 1.00 0.00 C ATOM 100 O VAL A 9 -1.004 8.794 6.809 1.00 0.00 O ATOM 101 CB VAL A 9 0.186 10.241 4.469 1.00 0.00 C ATOM 102 CG1 VAL A 9 0.401 10.819 3.079 1.00 0.00 C ATOM 103 CG2 VAL A 9 -0.206 11.332 5.454 1.00 0.00 C ATOM 0 HA VAL A 9 -0.709 8.498 3.567 1.00 0.00 H new ATOM 0 HB VAL A 9 1.126 9.802 4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.160 11.600 3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.731 10.030 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.534 11.243 2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.562 12.106 5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.158 11.769 5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.303 10.904 6.452 1.00 0.00 H new ATOM 113 N THR A 10 -0.425 7.026 5.544 1.00 0.00 N ATOM 114 CA THR A 10 -0.286 6.120 6.679 1.00 0.00 C ATOM 115 C THR A 10 1.134 5.570 6.766 1.00 0.00 C ATOM 116 O THR A 10 1.679 5.071 5.782 1.00 0.00 O ATOM 117 CB THR A 10 -1.286 4.968 6.563 1.00 0.00 C ATOM 118 OG1 THR A 10 -2.602 5.462 6.383 1.00 0.00 O ATOM 119 CG2 THR A 10 -1.299 4.062 7.775 1.00 0.00 C ATOM 0 H THR A 10 -0.232 6.599 4.638 1.00 0.00 H new ATOM 0 HA THR A 10 -0.494 6.683 7.589 1.00 0.00 H new ATOM 0 HB THR A 10 -0.959 4.389 5.699 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.226 4.710 6.309 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.030 3.267 7.627 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.310 3.625 7.913 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.567 4.641 8.659 1.00 0.00 H new ATOM 127 N VAL A 11 1.727 5.665 7.952 1.00 0.00 N ATOM 128 CA VAL A 11 3.083 5.177 8.171 1.00 0.00 C ATOM 129 C VAL A 11 3.114 3.654 8.244 1.00 0.00 C ATOM 130 O VAL A 11 2.196 3.029 8.775 1.00 0.00 O ATOM 131 CB VAL A 11 3.687 5.760 9.465 1.00 0.00 C ATOM 132 CG1 VAL A 11 2.872 5.336 10.678 1.00 0.00 C ATOM 133 CG2 VAL A 11 5.141 5.338 9.616 1.00 0.00 C ATOM 0 H VAL A 11 1.289 6.076 8.776 1.00 0.00 H new ATOM 0 HA VAL A 11 3.681 5.507 7.321 1.00 0.00 H new ATOM 0 HB VAL A 11 3.654 6.847 9.398 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.315 5.758 11.580 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.849 5.697 10.573 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.867 4.248 10.751 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.549 5.760 10.535 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.202 4.250 9.657 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.716 5.701 8.764 1.00 0.00 H new ATOM 143 N VAL A 12 4.175 3.062 7.705 1.00 0.00 N ATOM 144 CA VAL A 12 4.325 1.610 7.707 1.00 0.00 C ATOM 145 C VAL A 12 5.738 1.209 8.121 1.00 0.00 C ATOM 146 O VAL A 12 6.658 1.211 7.304 1.00 0.00 O ATOM 147 CB VAL A 12 4.014 0.995 6.321 1.00 0.00 C ATOM 148 CG1 VAL A 12 3.120 -0.225 6.469 1.00 0.00 C ATOM 149 CG2 VAL A 12 3.369 2.019 5.396 1.00 0.00 C ATOM 0 H VAL A 12 4.944 3.565 7.261 1.00 0.00 H new ATOM 0 HA VAL A 12 3.606 1.223 8.430 1.00 0.00 H new ATOM 0 HB VAL A 12 4.958 0.685 5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.911 -0.645 5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.623 -0.972 7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.184 0.066 6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.162 1.558 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.436 2.371 5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.046 2.862 5.258 1.00 0.00 H new ATOM 159 N VAL A 13 5.903 0.864 9.394 1.00 0.00 N ATOM 160 CA VAL A 13 7.204 0.459 9.913 1.00 0.00 C ATOM 161 C VAL A 13 7.191 -1.010 10.331 1.00 0.00 C ATOM 162 O VAL A 13 6.130 -1.597 10.537 1.00 0.00 O ATOM 163 CB VAL A 13 7.631 1.334 11.111 1.00 0.00 C ATOM 164 CG1 VAL A 13 6.643 1.200 12.258 1.00 0.00 C ATOM 165 CG2 VAL A 13 9.039 0.975 11.566 1.00 0.00 C ATOM 0 H VAL A 13 5.152 0.857 10.085 1.00 0.00 H new ATOM 0 HA VAL A 13 7.927 0.595 9.109 1.00 0.00 H new ATOM 0 HB VAL A 13 7.633 2.375 10.787 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.965 1.826 13.091 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.655 1.518 11.926 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.600 0.160 12.581 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.320 1.604 12.411 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.068 -0.072 11.867 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.739 1.136 10.746 1.00 0.00 H new ATOM 175 N ALA A 14 8.378 -1.600 10.442 1.00 0.00 N ATOM 176 CA ALA A 14 8.511 -3.004 10.824 1.00 0.00 C ATOM 177 C ALA A 14 7.642 -3.355 12.032 1.00 0.00 C ATOM 178 O ALA A 14 7.132 -4.471 12.136 1.00 0.00 O ATOM 179 CB ALA A 14 9.969 -3.328 11.113 1.00 0.00 C ATOM 0 H ALA A 14 9.265 -1.126 10.272 1.00 0.00 H new ATOM 0 HA ALA A 14 8.162 -3.608 9.986 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.059 -4.376 11.397 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.567 -3.141 10.221 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.327 -2.699 11.928 1.00 0.00 H new ATOM 185 N LYS A 15 7.490 -2.405 12.948 1.00 0.00 N ATOM 186 CA LYS A 15 6.698 -2.624 14.156 1.00 0.00 C ATOM 187 C LYS A 15 5.214 -2.321 13.939 1.00 0.00 C ATOM 188 O LYS A 15 4.392 -2.573 14.820 1.00 0.00 O ATOM 189 CB LYS A 15 7.236 -1.764 15.301 1.00 0.00 C ATOM 190 CG LYS A 15 8.330 -2.443 16.109 1.00 0.00 C ATOM 191 CD LYS A 15 8.983 -1.477 17.084 1.00 0.00 C ATOM 192 CE LYS A 15 9.870 -0.474 16.364 1.00 0.00 C ATOM 193 NZ LYS A 15 9.787 0.881 16.977 1.00 0.00 N ATOM 0 H LYS A 15 7.904 -1.475 12.878 1.00 0.00 H new ATOM 0 HA LYS A 15 6.786 -3.680 14.411 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.624 -0.831 14.892 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.413 -1.503 15.966 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.909 -3.286 16.657 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.085 -2.847 15.434 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.212 -0.947 17.644 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.576 -2.035 17.808 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.903 -0.820 16.388 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.577 -0.417 15.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.406 1.536 16.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.806 1.223 16.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.091 0.832 17.970 1.00 0.00 H new ATOM 207 N ASN A 16 4.869 -1.770 12.778 1.00 0.00 N ATOM 208 CA ASN A 16 3.479 -1.430 12.485 1.00 0.00 C ATOM 209 C ASN A 16 2.927 -2.252 11.323 1.00 0.00 C ATOM 210 O ASN A 16 1.860 -2.855 11.432 1.00 0.00 O ATOM 211 CB ASN A 16 3.355 0.061 12.167 1.00 0.00 C ATOM 212 CG ASN A 16 2.171 0.703 12.862 1.00 0.00 C ATOM 213 OD1 ASN A 16 2.330 1.409 13.859 1.00 0.00 O ATOM 214 ND2 ASN A 16 0.974 0.461 12.340 1.00 0.00 N ATOM 0 H ASN A 16 5.527 -1.551 12.030 1.00 0.00 H new ATOM 0 HA ASN A 16 2.891 -1.665 13.372 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.270 0.571 12.468 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.256 0.193 11.090 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.140 0.866 12.766 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.888 -0.130 11.513 1.00 0.00 H new ATOM 221 N TYR A 17 3.651 -2.260 10.207 1.00 0.00 N ATOM 222 CA TYR A 17 3.224 -2.995 9.018 1.00 0.00 C ATOM 223 C TYR A 17 2.731 -4.399 9.372 1.00 0.00 C ATOM 224 O TYR A 17 1.649 -4.802 8.966 1.00 0.00 O ATOM 225 CB TYR A 17 4.369 -3.066 7.996 1.00 0.00 C ATOM 226 CG TYR A 17 4.981 -4.443 7.835 1.00 0.00 C ATOM 227 CD1 TYR A 17 4.392 -5.394 7.012 1.00 0.00 C ATOM 228 CD2 TYR A 17 6.141 -4.790 8.513 1.00 0.00 C ATOM 229 CE1 TYR A 17 4.944 -6.652 6.867 1.00 0.00 C ATOM 230 CE2 TYR A 17 6.701 -6.046 8.373 1.00 0.00 C ATOM 231 CZ TYR A 17 6.099 -6.973 7.549 1.00 0.00 C ATOM 232 OH TYR A 17 6.652 -8.225 7.408 1.00 0.00 O ATOM 0 H TYR A 17 4.537 -1.766 10.100 1.00 0.00 H new ATOM 0 HA TYR A 17 2.388 -2.455 8.574 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.996 -2.732 7.028 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.150 -2.367 8.295 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.487 -5.146 6.477 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.614 -4.067 9.161 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.474 -7.380 6.223 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.605 -6.300 8.906 1.00 0.00 H new ATOM 0 HH TYR A 17 7.463 -8.288 7.955 1.00 0.00 H new ATOM 242 N ASN A 18 3.539 -5.139 10.121 1.00 0.00 N ATOM 243 CA ASN A 18 3.188 -6.501 10.516 1.00 0.00 C ATOM 244 C ASN A 18 1.764 -6.586 11.073 1.00 0.00 C ATOM 245 O ASN A 18 1.076 -7.590 10.890 1.00 0.00 O ATOM 246 CB ASN A 18 4.192 -7.025 11.550 1.00 0.00 C ATOM 247 CG ASN A 18 3.949 -6.477 12.947 1.00 0.00 C ATOM 248 OD1 ASN A 18 3.779 -7.237 13.901 1.00 0.00 O ATOM 249 ND2 ASN A 18 3.929 -5.154 13.075 1.00 0.00 N ATOM 0 H ASN A 18 4.443 -4.820 10.468 1.00 0.00 H new ATOM 0 HA ASN A 18 3.229 -7.124 9.622 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.140 -8.113 11.579 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.201 -6.762 11.233 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.768 -4.733 13.990 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.074 -4.560 12.258 1.00 0.00 H new ATOM 256 N GLU A 19 1.336 -5.535 11.765 1.00 0.00 N ATOM 257 CA GLU A 19 0.003 -5.505 12.362 1.00 0.00 C ATOM 258 C GLU A 19 -1.088 -5.258 11.320 1.00 0.00 C ATOM 259 O GLU A 19 -2.001 -6.068 11.164 1.00 0.00 O ATOM 260 CB GLU A 19 -0.063 -4.425 13.443 1.00 0.00 C ATOM 261 CG GLU A 19 -0.914 -4.814 14.640 1.00 0.00 C ATOM 262 CD GLU A 19 -1.115 -3.666 15.610 1.00 0.00 C ATOM 263 OE1 GLU A 19 -0.225 -2.794 15.689 1.00 0.00 O ATOM 264 OE2 GLU A 19 -2.163 -3.640 16.290 1.00 0.00 O ATOM 0 H GLU A 19 1.890 -4.694 11.927 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.177 -6.484 12.805 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.948 -4.201 13.784 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.462 -3.509 13.006 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.885 -5.165 14.292 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.442 -5.647 15.161 1.00 0.00 H new ATOM 271 N ILE A 20 -0.999 -4.129 10.626 1.00 0.00 N ATOM 272 CA ILE A 20 -1.992 -3.766 9.617 1.00 0.00 C ATOM 273 C ILE A 20 -2.172 -4.860 8.564 1.00 0.00 C ATOM 274 O ILE A 20 -3.297 -5.236 8.233 1.00 0.00 O ATOM 275 CB ILE A 20 -1.618 -2.446 8.914 1.00 0.00 C ATOM 276 CG1 ILE A 20 -0.207 -2.532 8.324 1.00 0.00 C ATOM 277 CG2 ILE A 20 -1.725 -1.283 9.890 1.00 0.00 C ATOM 278 CD1 ILE A 20 0.300 -1.218 7.768 1.00 0.00 C ATOM 0 H ILE A 20 -0.249 -3.447 10.743 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.935 -3.640 10.149 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.317 -2.276 8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.480 -2.879 9.096 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.199 -3.280 7.531 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.458 -0.356 9.382 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.747 -1.212 10.261 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.046 -1.447 10.727 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.304 -1.356 7.368 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.364 -0.879 6.973 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.325 -0.472 8.563 1.00 0.00 H new ATOM 290 N VAL A 21 -1.062 -5.360 8.037 1.00 0.00 N ATOM 291 CA VAL A 21 -1.093 -6.401 7.016 1.00 0.00 C ATOM 292 C VAL A 21 -1.742 -7.679 7.540 1.00 0.00 C ATOM 293 O VAL A 21 -2.568 -8.289 6.860 1.00 0.00 O ATOM 294 CB VAL A 21 0.326 -6.723 6.504 1.00 0.00 C ATOM 295 CG1 VAL A 21 0.990 -5.469 5.955 1.00 0.00 C ATOM 296 CG2 VAL A 21 1.174 -7.341 7.608 1.00 0.00 C ATOM 0 H VAL A 21 -0.124 -5.060 8.301 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.691 -6.015 6.191 1.00 0.00 H new ATOM 0 HB VAL A 21 0.241 -7.451 5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.990 -5.714 5.598 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.397 -5.075 5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.059 -4.719 6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.170 -7.559 7.223 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.252 -6.642 8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.708 -8.264 7.951 1.00 0.00 H new ATOM 306 N LEU A 22 -1.364 -8.081 8.748 1.00 0.00 N ATOM 307 CA LEU A 22 -1.911 -9.289 9.356 1.00 0.00 C ATOM 308 C LEU A 22 -3.385 -9.111 9.720 1.00 0.00 C ATOM 309 O LEU A 22 -4.075 -10.082 10.031 1.00 0.00 O ATOM 310 CB LEU A 22 -1.104 -9.665 10.600 1.00 0.00 C ATOM 311 CG LEU A 22 0.319 -10.154 10.323 1.00 0.00 C ATOM 312 CD1 LEU A 22 1.116 -10.237 11.615 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.291 -11.505 9.624 1.00 0.00 C ATOM 0 H LEU A 22 -0.682 -7.589 9.325 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.840 -10.094 8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.053 -8.797 11.257 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.641 -10.444 11.142 1.00 0.00 H new ATOM 0 HG LEU A 22 0.808 -9.436 9.664 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.125 -10.587 11.398 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.165 -9.251 12.076 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.630 -10.933 12.298 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.311 -11.838 9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.216 -12.232 10.258 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.243 -11.414 8.678 1.00 0.00 H new ATOM 325 N ASP A 23 -3.865 -7.870 9.682 1.00 0.00 N ATOM 326 CA ASP A 23 -5.256 -7.578 10.009 1.00 0.00 C ATOM 327 C ASP A 23 -6.189 -8.066 8.905 1.00 0.00 C ATOM 328 O ASP A 23 -6.305 -7.437 7.853 1.00 0.00 O ATOM 329 CB ASP A 23 -5.445 -6.076 10.230 1.00 0.00 C ATOM 330 CG ASP A 23 -6.232 -5.771 11.490 1.00 0.00 C ATOM 331 OD1 ASP A 23 -6.899 -6.691 12.011 1.00 0.00 O ATOM 332 OD2 ASP A 23 -6.182 -4.614 11.957 1.00 0.00 O ATOM 0 H ASP A 23 -3.311 -7.052 9.428 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.506 -8.107 10.929 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.469 -5.595 10.289 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.960 -5.647 9.370 1.00 0.00 H new ATOM 337 N ASP A 24 -6.852 -9.191 9.153 1.00 0.00 N ATOM 338 CA ASP A 24 -7.776 -9.767 8.182 1.00 0.00 C ATOM 339 C ASP A 24 -9.126 -9.050 8.201 1.00 0.00 C ATOM 340 O ASP A 24 -9.951 -9.243 7.308 1.00 0.00 O ATOM 341 CB ASP A 24 -7.977 -11.257 8.464 1.00 0.00 C ATOM 342 CG ASP A 24 -8.554 -11.512 9.842 1.00 0.00 C ATOM 343 OD1 ASP A 24 -9.694 -11.069 10.099 1.00 0.00 O ATOM 344 OD2 ASP A 24 -7.868 -12.155 10.664 1.00 0.00 O ATOM 0 H ASP A 24 -6.766 -9.723 10.019 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.338 -9.640 7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.642 -11.680 7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.022 -11.773 8.372 1.00 0.00 H new ATOM 349 N THR A 25 -9.349 -8.226 9.222 1.00 0.00 N ATOM 350 CA THR A 25 -10.603 -7.491 9.348 1.00 0.00 C ATOM 351 C THR A 25 -10.731 -6.427 8.262 1.00 0.00 C ATOM 352 O THR A 25 -11.838 -6.077 7.852 1.00 0.00 O ATOM 353 CB THR A 25 -10.699 -6.839 10.729 1.00 0.00 C ATOM 354 OG1 THR A 25 -11.852 -6.022 10.818 1.00 0.00 O ATOM 355 CG2 THR A 25 -9.500 -5.981 11.069 1.00 0.00 C ATOM 0 H THR A 25 -8.679 -8.051 9.971 1.00 0.00 H new ATOM 0 HA THR A 25 -11.421 -8.202 9.228 1.00 0.00 H new ATOM 0 HB THR A 25 -10.746 -7.666 11.437 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.897 -5.615 11.708 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.632 -5.548 12.061 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.599 -6.594 11.057 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.405 -5.182 10.334 1.00 0.00 H new ATOM 363 N LYS A 26 -9.595 -5.915 7.799 1.00 0.00 N ATOM 364 CA LYS A 26 -9.589 -4.890 6.761 1.00 0.00 C ATOM 365 C LYS A 26 -8.415 -5.083 5.807 1.00 0.00 C ATOM 366 O LYS A 26 -7.429 -5.738 6.145 1.00 0.00 O ATOM 367 CB LYS A 26 -9.524 -3.497 7.390 1.00 0.00 C ATOM 368 CG LYS A 26 -8.454 -3.363 8.463 1.00 0.00 C ATOM 369 CD LYS A 26 -7.534 -2.183 8.192 1.00 0.00 C ATOM 370 CE LYS A 26 -7.987 -0.940 8.941 1.00 0.00 C ATOM 371 NZ LYS A 26 -7.625 -0.999 10.384 1.00 0.00 N ATOM 0 H LYS A 26 -8.669 -6.192 8.125 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.514 -4.983 6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.336 -2.762 6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.495 -3.258 7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.928 -3.239 9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.867 -4.280 8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.517 -2.438 8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.511 -1.976 7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.533 -0.058 8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.067 -0.830 8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.951 -0.133 10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.078 -1.826 10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.592 -1.079 10.480 1.00 0.00 H new ATOM 385 N ASP A 27 -8.529 -4.507 4.615 1.00 0.00 N ATOM 386 CA ASP A 27 -7.476 -4.613 3.611 1.00 0.00 C ATOM 387 C ASP A 27 -6.394 -3.564 3.848 1.00 0.00 C ATOM 388 O ASP A 27 -6.689 -2.423 4.203 1.00 0.00 O ATOM 389 CB ASP A 27 -8.064 -4.452 2.206 1.00 0.00 C ATOM 390 CG ASP A 27 -7.695 -5.603 1.290 1.00 0.00 C ATOM 391 OD1 ASP A 27 -8.443 -6.602 1.260 1.00 0.00 O ATOM 392 OD2 ASP A 27 -6.656 -5.504 0.603 1.00 0.00 O ATOM 0 H ASP A 27 -9.339 -3.962 4.320 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.023 -5.601 3.695 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.149 -4.380 2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.710 -3.517 1.772 1.00 0.00 H new ATOM 397 N VAL A 28 -5.140 -3.959 3.651 1.00 0.00 N ATOM 398 CA VAL A 28 -4.015 -3.052 3.847 1.00 0.00 C ATOM 399 C VAL A 28 -3.028 -3.139 2.687 1.00 0.00 C ATOM 400 O VAL A 28 -2.774 -4.219 2.155 1.00 0.00 O ATOM 401 CB VAL A 28 -3.273 -3.353 5.162 1.00 0.00 C ATOM 402 CG1 VAL A 28 -2.283 -2.244 5.485 1.00 0.00 C ATOM 403 CG2 VAL A 28 -4.262 -3.543 6.303 1.00 0.00 C ATOM 0 H VAL A 28 -4.878 -4.900 3.356 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.427 -2.044 3.894 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.715 -4.281 5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.769 -2.476 6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.553 -2.162 4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.816 -1.299 5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.719 -3.755 7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.850 -2.634 6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.926 -4.376 6.074 1.00 0.00 H new ATOM 413 N LEU A 29 -2.474 -1.994 2.303 1.00 0.00 N ATOM 414 CA LEU A 29 -1.511 -1.938 1.208 1.00 0.00 C ATOM 415 C LEU A 29 -0.239 -1.220 1.647 1.00 0.00 C ATOM 416 O LEU A 29 -0.293 -0.247 2.399 1.00 0.00 O ATOM 417 CB LEU A 29 -2.118 -1.224 -0.004 1.00 0.00 C ATOM 418 CG LEU A 29 -3.633 -1.372 -0.159 1.00 0.00 C ATOM 419 CD1 LEU A 29 -4.129 -0.559 -1.344 1.00 0.00 C ATOM 420 CD2 LEU A 29 -4.012 -2.836 -0.318 1.00 0.00 C ATOM 0 H LEU A 29 -2.675 -1.092 2.734 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.258 -2.960 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.878 -0.163 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.638 -1.603 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.111 -0.990 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.209 -0.676 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.890 0.493 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.644 -0.910 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.093 -2.922 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.524 -3.244 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.691 -3.393 0.562 1.00 0.00 H new ATOM 432 N ILE A 30 0.905 -1.704 1.175 1.00 0.00 N ATOM 433 CA ILE A 30 2.187 -1.103 1.523 1.00 0.00 C ATOM 434 C ILE A 30 3.119 -1.055 0.316 1.00 0.00 C ATOM 435 O ILE A 30 3.429 -2.084 -0.283 1.00 0.00 O ATOM 436 CB ILE A 30 2.876 -1.874 2.668 1.00 0.00 C ATOM 437 CG1 ILE A 30 4.175 -1.176 3.078 1.00 0.00 C ATOM 438 CG2 ILE A 30 3.150 -3.313 2.253 1.00 0.00 C ATOM 439 CD1 ILE A 30 4.907 -1.873 4.204 1.00 0.00 C ATOM 0 H ILE A 30 0.971 -2.509 0.552 1.00 0.00 H new ATOM 0 HA ILE A 30 1.981 -0.086 1.855 1.00 0.00 H new ATOM 0 HB ILE A 30 2.206 -1.886 3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.833 -1.113 2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.949 -0.154 3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.636 -3.842 3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.209 -3.807 2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.801 -3.322 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.818 -1.323 4.441 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.266 -1.912 5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.165 -2.887 3.898 1.00 0.00 H new ATOM 451 N GLU A 31 3.562 0.149 -0.035 1.00 0.00 N ATOM 452 CA GLU A 31 4.460 0.332 -1.170 1.00 0.00 C ATOM 453 C GLU A 31 5.850 0.751 -0.703 1.00 0.00 C ATOM 454 O GLU A 31 5.993 1.500 0.263 1.00 0.00 O ATOM 455 CB GLU A 31 3.895 1.380 -2.131 1.00 0.00 C ATOM 456 CG GLU A 31 4.776 1.630 -3.346 1.00 0.00 C ATOM 457 CD GLU A 31 4.084 1.304 -4.658 1.00 0.00 C ATOM 458 OE1 GLU A 31 2.962 0.757 -4.621 1.00 0.00 O ATOM 459 OE2 GLU A 31 4.667 1.597 -5.723 1.00 0.00 O ATOM 0 H GLU A 31 3.314 1.011 0.450 1.00 0.00 H new ATOM 0 HA GLU A 31 4.544 -0.622 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.909 1.058 -2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.758 2.318 -1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.085 2.675 -3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.682 1.030 -3.261 1.00 0.00 H new ATOM 466 N PHE A 32 6.873 0.265 -1.399 1.00 0.00 N ATOM 467 CA PHE A 32 8.253 0.590 -1.060 1.00 0.00 C ATOM 468 C PHE A 32 8.897 1.425 -2.161 1.00 0.00 C ATOM 469 O PHE A 32 9.094 0.949 -3.280 1.00 0.00 O ATOM 470 CB PHE A 32 9.061 -0.689 -0.834 1.00 0.00 C ATOM 471 CG PHE A 32 8.890 -1.269 0.540 1.00 0.00 C ATOM 472 CD1 PHE A 32 9.520 -0.693 1.632 1.00 0.00 C ATOM 473 CD2 PHE A 32 8.099 -2.389 0.740 1.00 0.00 C ATOM 474 CE1 PHE A 32 9.363 -1.224 2.899 1.00 0.00 C ATOM 475 CE2 PHE A 32 7.939 -2.924 2.004 1.00 0.00 C ATOM 476 CZ PHE A 32 8.571 -2.341 3.085 1.00 0.00 C ATOM 0 H PHE A 32 6.772 -0.356 -2.202 1.00 0.00 H new ATOM 0 HA PHE A 32 8.248 1.173 -0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.764 -1.433 -1.573 1.00 0.00 H new ATOM 0 HB3 PHE A 32 10.117 -0.477 -1.002 1.00 0.00 H new ATOM 0 HD1 PHE A 32 10.140 0.180 1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.602 -2.849 -0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.859 -0.766 3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.320 -3.798 2.147 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.446 -2.757 4.074 1.00 0.00 H new ATOM 486 N TYR A 33 9.219 2.673 -1.837 1.00 0.00 N ATOM 487 CA TYR A 33 9.838 3.577 -2.799 1.00 0.00 C ATOM 488 C TYR A 33 10.994 4.345 -2.164 1.00 0.00 C ATOM 489 O TYR A 33 11.202 4.286 -0.952 1.00 0.00 O ATOM 490 CB TYR A 33 8.798 4.558 -3.347 1.00 0.00 C ATOM 491 CG TYR A 33 8.288 5.544 -2.320 1.00 0.00 C ATOM 492 CD1 TYR A 33 7.248 5.207 -1.462 1.00 0.00 C ATOM 493 CD2 TYR A 33 8.846 6.811 -2.209 1.00 0.00 C ATOM 494 CE1 TYR A 33 6.779 6.107 -0.522 1.00 0.00 C ATOM 495 CE2 TYR A 33 8.383 7.715 -1.273 1.00 0.00 C ATOM 496 CZ TYR A 33 7.350 7.358 -0.432 1.00 0.00 C ATOM 497 OH TYR A 33 6.887 8.256 0.502 1.00 0.00 O ATOM 0 H TYR A 33 9.061 3.081 -0.916 1.00 0.00 H new ATOM 0 HA TYR A 33 10.234 2.978 -3.619 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.235 5.109 -4.180 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.955 3.994 -3.745 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.799 4.227 -1.530 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.655 7.094 -2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.970 5.831 0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.828 8.696 -1.200 1.00 0.00 H new ATOM 0 HH TYR A 33 7.397 9.090 0.435 1.00 0.00 H new ATOM 507 N ALA A 34 11.741 5.067 -2.994 1.00 0.00 N ATOM 508 CA ALA A 34 12.874 5.852 -2.519 1.00 0.00 C ATOM 509 C ALA A 34 12.996 7.160 -3.297 1.00 0.00 C ATOM 510 O ALA A 34 12.657 7.221 -4.479 1.00 0.00 O ATOM 511 CB ALA A 34 14.159 5.046 -2.630 1.00 0.00 C ATOM 0 H ALA A 34 11.581 5.124 -4.000 1.00 0.00 H new ATOM 0 HA ALA A 34 12.704 6.096 -1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 34 14.996 5.645 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 34 14.075 4.142 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.328 4.772 -3.671 1.00 0.00 H new ATOM 517 N PRO A 35 13.481 8.229 -2.642 1.00 0.00 N ATOM 518 CA PRO A 35 13.642 9.539 -3.282 1.00 0.00 C ATOM 519 C PRO A 35 14.750 9.541 -4.331 1.00 0.00 C ATOM 520 O PRO A 35 14.584 10.087 -5.422 1.00 0.00 O ATOM 521 CB PRO A 35 14.007 10.463 -2.117 1.00 0.00 C ATOM 522 CG PRO A 35 14.616 9.565 -1.097 1.00 0.00 C ATOM 523 CD PRO A 35 13.907 8.246 -1.231 1.00 0.00 C ATOM 0 HA PRO A 35 12.743 9.842 -3.818 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.707 11.238 -2.431 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.126 10.970 -1.723 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.687 9.452 -1.266 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.494 9.974 -0.094 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.567 7.410 -1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 35 13.056 8.177 -0.553 1.00 0.00 H new ATOM 531 N TRP A 36 15.879 8.927 -3.993 1.00 0.00 N ATOM 532 CA TRP A 36 17.016 8.858 -4.906 1.00 0.00 C ATOM 533 C TRP A 36 16.815 7.778 -5.970 1.00 0.00 C ATOM 534 O TRP A 36 17.646 7.616 -6.864 1.00 0.00 O ATOM 535 CB TRP A 36 18.304 8.585 -4.127 1.00 0.00 C ATOM 536 CG TRP A 36 18.195 7.424 -3.187 1.00 0.00 C ATOM 537 CD1 TRP A 36 17.806 6.153 -3.496 1.00 0.00 C ATOM 538 CD2 TRP A 36 18.477 7.428 -1.782 1.00 0.00 C ATOM 539 NE1 TRP A 36 17.829 5.365 -2.370 1.00 0.00 N ATOM 540 CE2 TRP A 36 18.238 6.126 -1.305 1.00 0.00 C ATOM 541 CE3 TRP A 36 18.910 8.407 -0.883 1.00 0.00 C ATOM 542 CZ2 TRP A 36 18.418 5.778 0.031 1.00 0.00 C ATOM 543 CZ3 TRP A 36 19.087 8.060 0.444 1.00 0.00 C ATOM 544 CH2 TRP A 36 18.842 6.755 0.890 1.00 0.00 C ATOM 0 H TRP A 36 16.032 8.470 -3.094 1.00 0.00 H new ATOM 0 HA TRP A 36 17.095 9.821 -5.411 1.00 0.00 H new ATOM 0 HB2 TRP A 36 19.114 8.397 -4.832 1.00 0.00 H new ATOM 0 HB3 TRP A 36 18.574 9.477 -3.562 1.00 0.00 H new ATOM 0 HD1 TRP A 36 17.522 5.815 -4.482 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.582 4.376 -2.333 1.00 0.00 H new ATOM 0 HE3 TRP A 36 19.103 9.415 -1.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 18.230 4.772 0.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 19.420 8.808 1.148 1.00 0.00 H new ATOM 0 HH2 TRP A 36 18.991 6.515 1.932 1.00 0.00 H new ATOM 555 N CYS A 37 15.711 7.039 -5.870 1.00 0.00 N ATOM 556 CA CYS A 37 15.409 5.975 -6.824 1.00 0.00 C ATOM 557 C CYS A 37 15.529 6.470 -8.264 1.00 0.00 C ATOM 558 O CYS A 37 16.153 5.821 -9.104 1.00 0.00 O ATOM 559 CB CYS A 37 13.996 5.434 -6.583 1.00 0.00 C ATOM 560 SG CYS A 37 13.452 4.193 -7.804 1.00 0.00 S ATOM 0 H CYS A 37 15.011 7.158 -5.138 1.00 0.00 H new ATOM 0 HA CYS A 37 16.136 5.177 -6.673 1.00 0.00 H new ATOM 0 HB2 CYS A 37 13.953 4.991 -5.588 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.294 6.268 -6.591 1.00 0.00 H new ATOM 565 N GLY A 38 14.911 7.611 -8.545 1.00 0.00 N ATOM 566 CA GLY A 38 14.943 8.161 -9.887 1.00 0.00 C ATOM 567 C GLY A 38 13.693 7.802 -10.664 1.00 0.00 C ATOM 568 O GLY A 38 13.183 8.603 -11.448 1.00 0.00 O ATOM 0 H GLY A 38 14.388 8.165 -7.867 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.041 9.245 -9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.820 7.786 -10.414 1.00 0.00 H new ATOM 572 N HIS A 39 13.194 6.592 -10.430 1.00 0.00 N ATOM 573 CA HIS A 39 11.988 6.111 -11.090 1.00 0.00 C ATOM 574 C HIS A 39 10.865 5.899 -10.075 1.00 0.00 C ATOM 575 O HIS A 39 9.736 5.573 -10.442 1.00 0.00 O ATOM 576 CB HIS A 39 12.273 4.802 -11.830 1.00 0.00 C ATOM 577 CG HIS A 39 12.621 4.993 -13.273 1.00 0.00 C ATOM 578 ND1 HIS A 39 13.232 4.020 -14.036 1.00 0.00 N ATOM 579 CD2 HIS A 39 12.440 6.054 -14.095 1.00 0.00 C ATOM 580 CE1 HIS A 39 13.412 4.475 -15.264 1.00 0.00 C ATOM 581 NE2 HIS A 39 12.939 5.706 -15.326 1.00 0.00 N ATOM 0 H HIS A 39 13.611 5.923 -9.783 1.00 0.00 H new ATOM 0 HA HIS A 39 11.670 6.865 -11.810 1.00 0.00 H new ATOM 0 HB2 HIS A 39 13.093 4.284 -11.333 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.398 4.156 -11.758 1.00 0.00 H new ATOM 0 HD2 HIS A 39 11.987 6.998 -13.831 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.868 3.932 -16.078 1.00 0.00 H new ATOM 0 HE2 HIS A 39 12.943 6.302 -16.154 1.00 0.00 H new ATOM 590 N CYS A 40 11.184 6.085 -8.794 1.00 0.00 N ATOM 591 CA CYS A 40 10.207 5.915 -7.726 1.00 0.00 C ATOM 592 C CYS A 40 9.732 7.265 -7.196 1.00 0.00 C ATOM 593 O CYS A 40 8.677 7.358 -6.571 1.00 0.00 O ATOM 594 CB CYS A 40 10.809 5.095 -6.584 1.00 0.00 C ATOM 595 SG CYS A 40 11.644 3.567 -7.118 1.00 0.00 S ATOM 0 H CYS A 40 12.114 6.354 -8.473 1.00 0.00 H new ATOM 0 HA CYS A 40 9.348 5.385 -8.138 1.00 0.00 H new ATOM 0 HB2 CYS A 40 11.524 5.716 -6.044 1.00 0.00 H new ATOM 0 HB3 CYS A 40 10.017 4.836 -5.881 1.00 0.00 H new ATOM 600 N LYS A 41 10.519 8.310 -7.447 1.00 0.00 N ATOM 601 CA LYS A 41 10.176 9.654 -6.991 1.00 0.00 C ATOM 602 C LYS A 41 8.738 10.009 -7.363 1.00 0.00 C ATOM 603 O LYS A 41 8.087 10.801 -6.681 1.00 0.00 O ATOM 604 CB LYS A 41 11.142 10.677 -7.591 1.00 0.00 C ATOM 605 CG LYS A 41 11.577 11.751 -6.608 1.00 0.00 C ATOM 606 CD LYS A 41 10.658 12.961 -6.662 1.00 0.00 C ATOM 607 CE LYS A 41 10.810 13.831 -5.424 1.00 0.00 C ATOM 608 NZ LYS A 41 10.267 15.201 -5.638 1.00 0.00 N ATOM 0 H LYS A 41 11.397 8.251 -7.963 1.00 0.00 H new ATOM 0 HA LYS A 41 10.262 9.676 -5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.025 10.157 -7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.668 11.152 -8.450 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.582 11.341 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.599 12.058 -6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.882 13.550 -7.552 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.623 12.630 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.294 13.363 -4.586 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.864 13.896 -5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.390 15.762 -4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.776 15.658 -6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.255 15.141 -5.871 1.00 0.00 H new ATOM 622 N ALA A 42 8.246 9.413 -8.445 1.00 0.00 N ATOM 623 CA ALA A 42 6.885 9.661 -8.902 1.00 0.00 C ATOM 624 C ALA A 42 5.880 8.870 -8.070 1.00 0.00 C ATOM 625 O ALA A 42 4.731 9.282 -7.908 1.00 0.00 O ATOM 626 CB ALA A 42 6.750 9.306 -10.376 1.00 0.00 C ATOM 0 H ALA A 42 8.771 8.755 -9.021 1.00 0.00 H new ATOM 0 HA ALA A 42 6.670 10.722 -8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.728 9.496 -10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.438 9.915 -10.962 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.987 8.252 -10.520 1.00 0.00 H new ATOM 632 N LEU A 43 6.323 7.733 -7.543 1.00 0.00 N ATOM 633 CA LEU A 43 5.468 6.882 -6.723 1.00 0.00 C ATOM 634 C LEU A 43 5.002 7.625 -5.473 1.00 0.00 C ATOM 635 O LEU A 43 3.912 7.373 -4.960 1.00 0.00 O ATOM 636 CB LEU A 43 6.217 5.606 -6.327 1.00 0.00 C ATOM 637 CG LEU A 43 5.467 4.301 -6.599 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.143 4.281 -5.851 1.00 0.00 C ATOM 639 CD2 LEU A 43 5.243 4.116 -8.092 1.00 0.00 C ATOM 0 H LEU A 43 7.271 7.379 -7.670 1.00 0.00 H new ATOM 0 HA LEU A 43 4.590 6.612 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.166 5.580 -6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.452 5.657 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 43 6.076 3.472 -6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.623 3.345 -6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.329 4.366 -4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.527 5.118 -6.180 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.708 3.182 -8.267 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.655 4.949 -8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.205 4.084 -8.603 1.00 0.00 H new ATOM 651 N ALA A 44 5.837 8.539 -4.989 1.00 0.00 N ATOM 652 CA ALA A 44 5.514 9.317 -3.798 1.00 0.00 C ATOM 653 C ALA A 44 4.261 10.165 -4.012 1.00 0.00 C ATOM 654 O ALA A 44 3.253 9.977 -3.331 1.00 0.00 O ATOM 655 CB ALA A 44 6.694 10.196 -3.407 1.00 0.00 C ATOM 0 H ALA A 44 6.743 8.759 -5.403 1.00 0.00 H new ATOM 0 HA ALA A 44 5.309 8.621 -2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.440 10.771 -2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.561 9.569 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.927 10.877 -4.225 1.00 0.00 H new ATOM 661 N PRO A 45 4.305 11.115 -4.965 1.00 0.00 N ATOM 662 CA PRO A 45 3.163 11.989 -5.258 1.00 0.00 C ATOM 663 C PRO A 45 1.938 11.202 -5.710 1.00 0.00 C ATOM 664 O PRO A 45 0.804 11.564 -5.395 1.00 0.00 O ATOM 665 CB PRO A 45 3.670 12.892 -6.389 1.00 0.00 C ATOM 666 CG PRO A 45 4.844 12.176 -6.964 1.00 0.00 C ATOM 667 CD PRO A 45 5.460 11.413 -5.827 1.00 0.00 C ATOM 0 HA PRO A 45 2.840 12.542 -4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.898 13.051 -7.142 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.954 13.874 -6.011 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.537 11.503 -7.765 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.557 12.879 -7.394 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.952 10.503 -6.171 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.212 12.004 -5.304 1.00 0.00 H new ATOM 675 N LYS A 46 2.173 10.121 -6.447 1.00 0.00 N ATOM 676 CA LYS A 46 1.087 9.282 -6.938 1.00 0.00 C ATOM 677 C LYS A 46 0.363 8.601 -5.781 1.00 0.00 C ATOM 678 O LYS A 46 -0.829 8.306 -5.868 1.00 0.00 O ATOM 679 CB LYS A 46 1.627 8.229 -7.908 1.00 0.00 C ATOM 680 CG LYS A 46 1.872 8.762 -9.310 1.00 0.00 C ATOM 681 CD LYS A 46 0.586 8.818 -10.118 1.00 0.00 C ATOM 682 CE LYS A 46 0.854 9.190 -11.567 1.00 0.00 C ATOM 683 NZ LYS A 46 0.623 10.639 -11.821 1.00 0.00 N ATOM 0 H LYS A 46 3.105 9.806 -6.717 1.00 0.00 H new ATOM 0 HA LYS A 46 0.376 9.919 -7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.560 7.828 -7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.921 7.400 -7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.309 9.759 -9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.596 8.127 -9.820 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.086 7.850 -10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.093 9.546 -9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.883 8.936 -11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.209 8.600 -12.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.817 10.851 -12.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.365 10.877 -11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.256 11.202 -11.218 1.00 0.00 H new ATOM 697 N TYR A 47 1.091 8.356 -4.695 1.00 0.00 N ATOM 698 CA TYR A 47 0.517 7.713 -3.520 1.00 0.00 C ATOM 699 C TYR A 47 -0.281 8.712 -2.688 1.00 0.00 C ATOM 700 O TYR A 47 -1.224 8.339 -1.990 1.00 0.00 O ATOM 701 CB TYR A 47 1.621 7.082 -2.667 1.00 0.00 C ATOM 702 CG TYR A 47 1.422 5.604 -2.418 1.00 0.00 C ATOM 703 CD1 TYR A 47 1.798 4.664 -3.368 1.00 0.00 C ATOM 704 CD2 TYR A 47 0.857 5.151 -1.232 1.00 0.00 C ATOM 705 CE1 TYR A 47 1.616 3.312 -3.144 1.00 0.00 C ATOM 706 CE2 TYR A 47 0.672 3.801 -1.001 1.00 0.00 C ATOM 707 CZ TYR A 47 1.053 2.886 -1.960 1.00 0.00 C ATOM 708 OH TYR A 47 0.870 1.541 -1.733 1.00 0.00 O ATOM 0 H TYR A 47 2.079 8.593 -4.606 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.161 6.930 -3.859 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.581 7.233 -3.160 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.670 7.600 -1.709 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.240 4.994 -4.297 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.558 5.865 -0.479 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.913 2.593 -3.893 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.231 3.464 -0.074 1.00 0.00 H new ATOM 0 HH TYR A 47 0.463 1.410 -0.851 1.00 0.00 H new ATOM 718 N GLU A 48 0.102 9.983 -2.767 1.00 0.00 N ATOM 719 CA GLU A 48 -0.581 11.033 -2.022 1.00 0.00 C ATOM 720 C GLU A 48 -1.954 11.318 -2.622 1.00 0.00 C ATOM 721 O GLU A 48 -2.890 11.686 -1.911 1.00 0.00 O ATOM 722 CB GLU A 48 0.260 12.311 -2.013 1.00 0.00 C ATOM 723 CG GLU A 48 -0.174 13.317 -0.960 1.00 0.00 C ATOM 724 CD GLU A 48 0.681 13.258 0.291 1.00 0.00 C ATOM 725 OE1 GLU A 48 1.910 13.077 0.161 1.00 0.00 O ATOM 726 OE2 GLU A 48 0.122 13.394 1.399 1.00 0.00 O ATOM 0 H GLU A 48 0.881 10.309 -3.339 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.716 10.689 -0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.304 12.048 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.205 12.779 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.126 14.321 -1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.215 13.132 -0.693 1.00 0.00 H new ATOM 733 N GLU A 49 -2.068 11.145 -3.935 1.00 0.00 N ATOM 734 CA GLU A 49 -3.327 11.383 -4.632 1.00 0.00 C ATOM 735 C GLU A 49 -4.313 10.248 -4.379 1.00 0.00 C ATOM 736 O GLU A 49 -5.399 10.464 -3.842 1.00 0.00 O ATOM 737 CB GLU A 49 -3.081 11.536 -6.134 1.00 0.00 C ATOM 738 CG GLU A 49 -4.183 12.295 -6.856 1.00 0.00 C ATOM 739 CD GLU A 49 -5.099 11.381 -7.646 1.00 0.00 C ATOM 740 OE1 GLU A 49 -4.627 10.319 -8.105 1.00 0.00 O ATOM 741 OE2 GLU A 49 -6.288 11.727 -7.807 1.00 0.00 O ATOM 0 H GLU A 49 -1.304 10.841 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.758 12.306 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.134 12.053 -6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.980 10.547 -6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.772 12.853 -6.128 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.735 13.025 -7.530 1.00 0.00 H new ATOM 748 N LEU A 50 -3.927 9.037 -4.770 1.00 0.00 N ATOM 749 CA LEU A 50 -4.778 7.866 -4.586 1.00 0.00 C ATOM 750 C LEU A 50 -5.109 7.662 -3.109 1.00 0.00 C ATOM 751 O LEU A 50 -6.174 7.147 -2.768 1.00 0.00 O ATOM 752 CB LEU A 50 -4.092 6.618 -5.152 1.00 0.00 C ATOM 753 CG LEU A 50 -4.743 5.285 -4.772 1.00 0.00 C ATOM 754 CD1 LEU A 50 -6.144 5.191 -5.356 1.00 0.00 C ATOM 755 CD2 LEU A 50 -3.885 4.118 -5.241 1.00 0.00 C ATOM 0 H LEU A 50 -3.031 8.841 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.710 8.033 -5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.071 6.696 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.056 6.607 -4.813 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.821 5.236 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.592 4.237 -5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.755 6.006 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.091 5.262 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.364 3.179 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.774 4.161 -6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.903 4.177 -4.773 1.00 0.00 H new ATOM 767 N GLY A 51 -4.190 8.067 -2.239 1.00 0.00 N ATOM 768 CA GLY A 51 -4.404 7.919 -0.812 1.00 0.00 C ATOM 769 C GLY A 51 -5.494 8.834 -0.290 1.00 0.00 C ATOM 770 O GLY A 51 -6.318 8.426 0.529 1.00 0.00 O ATOM 0 H GLY A 51 -3.301 8.495 -2.497 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.667 6.884 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.474 8.130 -0.285 1.00 0.00 H new ATOM 774 N ALA A 52 -5.499 10.076 -0.764 1.00 0.00 N ATOM 775 CA ALA A 52 -6.495 11.052 -0.340 1.00 0.00 C ATOM 776 C ALA A 52 -7.869 10.718 -0.910 1.00 0.00 C ATOM 777 O ALA A 52 -8.894 10.977 -0.279 1.00 0.00 O ATOM 778 CB ALA A 52 -6.073 12.452 -0.759 1.00 0.00 C ATOM 0 H ALA A 52 -4.824 10.430 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.564 11.015 0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.826 13.171 -0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.116 12.697 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.974 12.493 -1.844 1.00 0.00 H new ATOM 784 N LEU A 53 -7.883 10.141 -2.108 1.00 0.00 N ATOM 785 CA LEU A 53 -9.132 9.772 -2.764 1.00 0.00 C ATOM 786 C LEU A 53 -9.725 8.513 -2.138 1.00 0.00 C ATOM 787 O LEU A 53 -10.862 8.518 -1.667 1.00 0.00 O ATOM 788 CB LEU A 53 -8.900 9.554 -4.262 1.00 0.00 C ATOM 789 CG LEU A 53 -9.356 10.705 -5.161 1.00 0.00 C ATOM 790 CD1 LEU A 53 -8.452 10.822 -6.378 1.00 0.00 C ATOM 791 CD2 LEU A 53 -10.803 10.505 -5.587 1.00 0.00 C ATOM 0 H LEU A 53 -7.044 9.919 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.841 10.589 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.837 9.382 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.421 8.646 -4.567 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.289 11.633 -4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.792 11.646 -7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.428 11.011 -6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.487 9.893 -6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.112 11.332 -6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.894 9.568 -6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.441 10.471 -4.704 1.00 0.00 H new ATOM 803 N TYR A 54 -8.946 7.436 -2.137 1.00 0.00 N ATOM 804 CA TYR A 54 -9.394 6.169 -1.569 1.00 0.00 C ATOM 805 C TYR A 54 -9.751 6.328 -0.094 1.00 0.00 C ATOM 806 O TYR A 54 -10.615 5.620 0.425 1.00 0.00 O ATOM 807 CB TYR A 54 -8.309 5.102 -1.733 1.00 0.00 C ATOM 808 CG TYR A 54 -8.843 3.758 -2.174 1.00 0.00 C ATOM 809 CD1 TYR A 54 -9.560 3.628 -3.357 1.00 0.00 C ATOM 810 CD2 TYR A 54 -8.631 2.619 -1.407 1.00 0.00 C ATOM 811 CE1 TYR A 54 -10.051 2.401 -3.763 1.00 0.00 C ATOM 812 CE2 TYR A 54 -9.117 1.389 -1.807 1.00 0.00 C ATOM 813 CZ TYR A 54 -9.826 1.285 -2.985 1.00 0.00 C ATOM 814 OH TYR A 54 -10.313 0.062 -3.386 1.00 0.00 O ATOM 0 H TYR A 54 -8.002 7.415 -2.523 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.288 5.854 -2.107 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.577 5.449 -2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.783 4.982 -0.786 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.737 4.500 -3.969 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.077 2.696 -0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.608 2.317 -4.685 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -8.942 0.513 -1.200 1.00 0.00 H new ATOM 0 HH TYR A 54 -10.067 -0.620 -2.727 1.00 0.00 H new ATOM 824 N ALA A 55 -9.081 7.260 0.576 1.00 0.00 N ATOM 825 CA ALA A 55 -9.329 7.511 1.990 1.00 0.00 C ATOM 826 C ALA A 55 -10.624 8.290 2.192 1.00 0.00 C ATOM 827 O ALA A 55 -11.294 8.145 3.214 1.00 0.00 O ATOM 828 CB ALA A 55 -8.158 8.261 2.606 1.00 0.00 C ATOM 0 H ALA A 55 -8.362 7.854 0.162 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.434 6.549 2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.357 8.442 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.251 7.666 2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.026 9.214 2.093 1.00 0.00 H new ATOM 834 N LYS A 56 -10.971 9.118 1.212 1.00 0.00 N ATOM 835 CA LYS A 56 -12.186 9.921 1.283 1.00 0.00 C ATOM 836 C LYS A 56 -13.423 9.058 1.051 1.00 0.00 C ATOM 837 O LYS A 56 -14.493 9.332 1.594 1.00 0.00 O ATOM 838 CB LYS A 56 -12.136 11.052 0.253 1.00 0.00 C ATOM 839 CG LYS A 56 -12.628 12.386 0.790 1.00 0.00 C ATOM 840 CD LYS A 56 -12.165 13.542 -0.081 1.00 0.00 C ATOM 841 CE LYS A 56 -13.106 14.731 0.023 1.00 0.00 C ATOM 842 NZ LYS A 56 -13.296 15.407 -1.290 1.00 0.00 N ATOM 0 H LYS A 56 -10.428 9.250 0.359 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.249 10.352 2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.111 11.167 -0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.739 10.773 -0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.717 12.380 0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.263 12.527 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.161 13.844 0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.104 13.215 -1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.072 14.397 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.710 15.445 0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.944 16.212 -1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.378 15.749 -1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.698 14.733 -1.972 1.00 0.00 H new ATOM 856 N SER A 57 -13.268 8.016 0.241 1.00 0.00 N ATOM 857 CA SER A 57 -14.372 7.113 -0.063 1.00 0.00 C ATOM 858 C SER A 57 -14.908 6.462 1.208 1.00 0.00 C ATOM 859 O SER A 57 -14.491 6.802 2.315 1.00 0.00 O ATOM 860 CB SER A 57 -13.921 6.036 -1.051 1.00 0.00 C ATOM 861 OG SER A 57 -14.973 5.677 -1.929 1.00 0.00 O ATOM 0 H SER A 57 -12.389 7.776 -0.217 1.00 0.00 H new ATOM 0 HA SER A 57 -15.173 7.698 -0.515 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.070 6.400 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.583 5.156 -0.505 1.00 0.00 H new ATOM 0 HG SER A 57 -14.906 4.724 -2.148 1.00 0.00 H new ATOM 867 N GLU A 58 -15.834 5.523 1.041 1.00 0.00 N ATOM 868 CA GLU A 58 -16.427 4.823 2.175 1.00 0.00 C ATOM 869 C GLU A 58 -15.721 3.494 2.424 1.00 0.00 C ATOM 870 O GLU A 58 -16.363 2.478 2.692 1.00 0.00 O ATOM 871 CB GLU A 58 -17.918 4.586 1.930 1.00 0.00 C ATOM 872 CG GLU A 58 -18.754 4.603 3.200 1.00 0.00 C ATOM 873 CD GLU A 58 -19.820 3.525 3.210 1.00 0.00 C ATOM 874 OE1 GLU A 58 -19.503 2.380 3.595 1.00 0.00 O ATOM 875 OE2 GLU A 58 -20.972 3.826 2.833 1.00 0.00 O ATOM 0 H GLU A 58 -16.190 5.229 0.131 1.00 0.00 H new ATOM 0 HA GLU A 58 -16.306 5.448 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.292 5.350 1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.048 3.625 1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.101 4.471 4.063 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.228 5.579 3.306 1.00 0.00 H new ATOM 882 N PHE A 59 -14.395 3.508 2.334 1.00 0.00 N ATOM 883 CA PHE A 59 -13.601 2.304 2.549 1.00 0.00 C ATOM 884 C PHE A 59 -12.639 2.489 3.719 1.00 0.00 C ATOM 885 O PHE A 59 -11.509 2.002 3.690 1.00 0.00 O ATOM 886 CB PHE A 59 -12.819 1.951 1.282 1.00 0.00 C ATOM 887 CG PHE A 59 -13.670 1.904 0.045 1.00 0.00 C ATOM 888 CD1 PHE A 59 -14.749 1.039 -0.037 1.00 0.00 C ATOM 889 CD2 PHE A 59 -13.391 2.727 -1.035 1.00 0.00 C ATOM 890 CE1 PHE A 59 -15.534 0.994 -1.174 1.00 0.00 C ATOM 891 CE2 PHE A 59 -14.172 2.686 -2.174 1.00 0.00 C ATOM 892 CZ PHE A 59 -15.245 1.819 -2.244 1.00 0.00 C ATOM 0 H PHE A 59 -13.848 4.340 2.114 1.00 0.00 H new ATOM 0 HA PHE A 59 -14.282 1.487 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.025 2.684 1.139 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -12.338 0.982 1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -14.980 0.392 0.797 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -12.554 3.408 -0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -16.372 0.315 -1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.944 3.332 -3.009 1.00 0.00 H new ATOM 0 HZ PHE A 59 -15.857 1.786 -3.133 1.00 0.00 H new ATOM 902 N LYS A 60 -13.096 3.195 4.748 1.00 0.00 N ATOM 903 CA LYS A 60 -12.277 3.445 5.928 1.00 0.00 C ATOM 904 C LYS A 60 -11.911 2.137 6.623 1.00 0.00 C ATOM 905 O LYS A 60 -10.753 1.914 6.978 1.00 0.00 O ATOM 906 CB LYS A 60 -13.016 4.363 6.903 1.00 0.00 C ATOM 907 CG LYS A 60 -14.325 3.782 7.413 1.00 0.00 C ATOM 908 CD LYS A 60 -15.163 4.834 8.122 1.00 0.00 C ATOM 909 CE LYS A 60 -16.286 4.201 8.928 1.00 0.00 C ATOM 910 NZ LYS A 60 -17.230 3.440 8.063 1.00 0.00 N ATOM 0 H LYS A 60 -14.029 3.604 4.788 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.358 3.934 5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.367 4.575 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.218 5.315 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.890 3.367 6.578 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.117 2.959 8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.527 5.423 8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.583 5.521 7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.863 3.533 9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.831 4.978 9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.017 3.081 8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.602 4.066 7.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.731 2.641 7.623 1.00 0.00 H new ATOM 924 N ASP A 61 -12.904 1.275 6.813 1.00 0.00 N ATOM 925 CA ASP A 61 -12.686 -0.011 7.465 1.00 0.00 C ATOM 926 C ASP A 61 -12.601 -1.144 6.443 1.00 0.00 C ATOM 927 O ASP A 61 -12.716 -2.317 6.796 1.00 0.00 O ATOM 928 CB ASP A 61 -13.810 -0.296 8.464 1.00 0.00 C ATOM 929 CG ASP A 61 -13.488 0.211 9.856 1.00 0.00 C ATOM 930 OD1 ASP A 61 -12.297 0.203 10.230 1.00 0.00 O ATOM 931 OD2 ASP A 61 -14.428 0.617 10.572 1.00 0.00 O ATOM 0 H ASP A 61 -13.868 1.444 6.525 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.736 0.041 7.996 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.731 0.171 8.114 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.993 -1.370 8.505 1.00 0.00 H new ATOM 936 N ARG A 62 -12.398 -0.788 5.177 1.00 0.00 N ATOM 937 CA ARG A 62 -12.297 -1.780 4.112 1.00 0.00 C ATOM 938 C ARG A 62 -10.874 -1.851 3.569 1.00 0.00 C ATOM 939 O ARG A 62 -10.273 -2.923 3.514 1.00 0.00 O ATOM 940 CB ARG A 62 -13.275 -1.446 2.983 1.00 0.00 C ATOM 941 CG ARG A 62 -14.538 -2.292 3.003 1.00 0.00 C ATOM 942 CD ARG A 62 -15.765 -1.473 2.634 1.00 0.00 C ATOM 943 NE ARG A 62 -16.946 -1.890 3.386 1.00 0.00 N ATOM 944 CZ ARG A 62 -18.073 -1.183 3.448 1.00 0.00 C ATOM 945 NH1 ARG A 62 -18.174 -0.026 2.807 1.00 0.00 N ATOM 946 NH2 ARG A 62 -19.100 -1.636 4.154 1.00 0.00 N ATOM 0 H ARG A 62 -12.300 0.178 4.865 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.554 -2.754 4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.551 -0.394 3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.772 -1.581 2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -14.431 -3.123 2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -14.672 -2.723 3.995 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -15.568 -0.418 2.824 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -15.961 -1.573 1.566 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.905 -2.774 3.893 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -17.386 0.326 2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -19.039 0.511 2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.026 -2.525 4.649 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -19.964 -1.096 4.202 1.00 0.00 H new ATOM 960 N VAL A 63 -10.340 -0.701 3.169 1.00 0.00 N ATOM 961 CA VAL A 63 -8.987 -0.633 2.630 1.00 0.00 C ATOM 962 C VAL A 63 -8.275 0.632 3.095 1.00 0.00 C ATOM 963 O VAL A 63 -8.912 1.648 3.375 1.00 0.00 O ATOM 964 CB VAL A 63 -8.992 -0.669 1.091 1.00 0.00 C ATOM 965 CG1 VAL A 63 -7.575 -0.799 0.554 1.00 0.00 C ATOM 966 CG2 VAL A 63 -9.868 -1.805 0.586 1.00 0.00 C ATOM 0 H VAL A 63 -10.824 0.196 3.208 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.453 -1.507 3.004 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.408 0.270 0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.600 -0.823 -0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.981 0.053 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.128 -1.720 0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.859 -1.814 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.485 -2.754 0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.889 -1.662 0.939 1.00 0.00 H new ATOM 976 N VAL A 64 -6.950 0.564 3.177 1.00 0.00 N ATOM 977 CA VAL A 64 -6.153 1.705 3.610 1.00 0.00 C ATOM 978 C VAL A 64 -4.838 1.781 2.839 1.00 0.00 C ATOM 979 O VAL A 64 -4.083 0.810 2.782 1.00 0.00 O ATOM 980 CB VAL A 64 -5.853 1.640 5.121 1.00 0.00 C ATOM 981 CG1 VAL A 64 -5.046 0.395 5.456 1.00 0.00 C ATOM 982 CG2 VAL A 64 -5.124 2.896 5.578 1.00 0.00 C ATOM 0 H VAL A 64 -6.407 -0.269 2.949 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.741 2.600 3.405 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.801 1.583 5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.845 0.369 6.527 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.611 -0.492 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.103 0.415 4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.922 2.831 6.647 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.183 2.988 5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.745 3.770 5.379 1.00 0.00 H new ATOM 992 N ILE A 65 -4.570 2.942 2.249 1.00 0.00 N ATOM 993 CA ILE A 65 -3.346 3.146 1.483 1.00 0.00 C ATOM 994 C ILE A 65 -2.181 3.501 2.401 1.00 0.00 C ATOM 995 O ILE A 65 -2.171 4.561 3.026 1.00 0.00 O ATOM 996 CB ILE A 65 -3.515 4.263 0.434 1.00 0.00 C ATOM 997 CG1 ILE A 65 -4.854 4.120 -0.293 1.00 0.00 C ATOM 998 CG2 ILE A 65 -2.362 4.235 -0.559 1.00 0.00 C ATOM 999 CD1 ILE A 65 -4.964 2.855 -1.115 1.00 0.00 C ATOM 0 H ILE A 65 -5.184 3.755 2.287 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.134 2.208 0.970 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.506 5.224 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.660 4.138 0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.998 4.981 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.495 5.029 -1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.421 4.385 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.343 3.271 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.939 2.821 -1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.180 2.844 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.853 1.988 -0.464 1.00 0.00 H new ATOM 1011 N ALA A 66 -1.201 2.606 2.479 1.00 0.00 N ATOM 1012 CA ALA A 66 -0.033 2.825 3.324 1.00 0.00 C ATOM 1013 C ALA A 66 1.232 2.987 2.487 1.00 0.00 C ATOM 1014 O ALA A 66 1.549 2.141 1.650 1.00 0.00 O ATOM 1015 CB ALA A 66 0.128 1.677 4.308 1.00 0.00 C ATOM 0 H ALA A 66 -1.193 1.723 1.968 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.188 3.749 3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.004 1.853 4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.759 1.610 4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.255 0.743 3.760 1.00 0.00 H new ATOM 1021 N LYS A 67 1.953 4.079 2.721 1.00 0.00 N ATOM 1022 CA LYS A 67 3.185 4.353 1.991 1.00 0.00 C ATOM 1023 C LYS A 67 4.399 4.193 2.901 1.00 0.00 C ATOM 1024 O LYS A 67 4.404 4.672 4.035 1.00 0.00 O ATOM 1025 CB LYS A 67 3.154 5.765 1.405 1.00 0.00 C ATOM 1026 CG LYS A 67 2.660 6.819 2.383 1.00 0.00 C ATOM 1027 CD LYS A 67 2.868 8.224 1.841 1.00 0.00 C ATOM 1028 CE LYS A 67 4.109 8.871 2.432 1.00 0.00 C ATOM 1029 NZ LYS A 67 4.370 10.213 1.843 1.00 0.00 N ATOM 0 H LYS A 67 1.705 4.788 3.411 1.00 0.00 H new ATOM 0 HA LYS A 67 3.264 3.633 1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.156 6.033 1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.512 5.770 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.601 6.660 2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.187 6.712 3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.958 8.187 0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.995 8.835 2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.990 8.965 3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.971 8.226 2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.225 10.620 2.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.509 10.121 0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.559 10.837 2.028 1.00 0.00 H new ATOM 1043 N VAL A 68 5.424 3.513 2.398 1.00 0.00 N ATOM 1044 CA VAL A 68 6.640 3.287 3.168 1.00 0.00 C ATOM 1045 C VAL A 68 7.875 3.315 2.273 1.00 0.00 C ATOM 1046 O VAL A 68 7.786 3.104 1.064 1.00 0.00 O ATOM 1047 CB VAL A 68 6.586 1.936 3.910 1.00 0.00 C ATOM 1048 CG1 VAL A 68 6.455 0.787 2.922 1.00 0.00 C ATOM 1049 CG2 VAL A 68 7.815 1.754 4.789 1.00 0.00 C ATOM 0 H VAL A 68 5.436 3.109 1.461 1.00 0.00 H new ATOM 0 HA VAL A 68 6.709 4.094 3.897 1.00 0.00 H new ATOM 0 HB VAL A 68 5.706 1.935 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.419 -0.157 3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.540 0.908 2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.313 0.786 2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.756 0.795 5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.712 1.780 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.859 2.557 5.524 1.00 0.00 H new ATOM 1059 N ASP A 69 9.028 3.570 2.882 1.00 0.00 N ATOM 1060 CA ASP A 69 10.288 3.619 2.151 1.00 0.00 C ATOM 1061 C ASP A 69 11.066 2.321 2.340 1.00 0.00 C ATOM 1062 O ASP A 69 11.006 1.701 3.402 1.00 0.00 O ATOM 1063 CB ASP A 69 11.132 4.805 2.622 1.00 0.00 C ATOM 1064 CG ASP A 69 11.197 4.907 4.134 1.00 0.00 C ATOM 1065 OD1 ASP A 69 11.948 4.123 4.751 1.00 0.00 O ATOM 1066 OD2 ASP A 69 10.496 5.772 4.701 1.00 0.00 O ATOM 0 H ASP A 69 9.115 3.746 3.883 1.00 0.00 H new ATOM 0 HA ASP A 69 10.064 3.743 1.092 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.142 4.709 2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.716 5.727 2.216 1.00 0.00 H new ATOM 1071 N ALA A 70 11.795 1.912 1.306 1.00 0.00 N ATOM 1072 CA ALA A 70 12.583 0.684 1.366 1.00 0.00 C ATOM 1073 C ALA A 70 13.933 0.924 2.038 1.00 0.00 C ATOM 1074 O ALA A 70 14.973 0.503 1.532 1.00 0.00 O ATOM 1075 CB ALA A 70 12.778 0.115 -0.031 1.00 0.00 C ATOM 0 H ALA A 70 11.857 2.411 0.418 1.00 0.00 H new ATOM 0 HA ALA A 70 12.035 -0.040 1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.367 -0.800 0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.806 -0.107 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 70 13.301 0.844 -0.651 1.00 0.00 H new ATOM 1081 N THR A 71 13.908 1.600 3.182 1.00 0.00 N ATOM 1082 CA THR A 71 15.128 1.894 3.926 1.00 0.00 C ATOM 1083 C THR A 71 14.916 1.679 5.423 1.00 0.00 C ATOM 1084 O THR A 71 15.657 2.216 6.247 1.00 0.00 O ATOM 1085 CB THR A 71 15.576 3.334 3.661 1.00 0.00 C ATOM 1086 OG1 THR A 71 14.868 4.241 4.487 1.00 0.00 O ATOM 1087 CG2 THR A 71 15.374 3.770 2.224 1.00 0.00 C ATOM 0 H THR A 71 13.055 1.955 3.615 1.00 0.00 H new ATOM 0 HA THR A 71 15.907 1.211 3.587 1.00 0.00 H new ATOM 0 HB THR A 71 16.643 3.348 3.882 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.909 4.044 4.443 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.712 4.799 2.105 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.948 3.121 1.563 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.316 3.704 1.969 1.00 0.00 H new ATOM 1095 N ALA A 72 13.898 0.896 5.769 1.00 0.00 N ATOM 1096 CA ALA A 72 13.586 0.616 7.165 1.00 0.00 C ATOM 1097 C ALA A 72 14.346 -0.606 7.668 1.00 0.00 C ATOM 1098 O ALA A 72 15.142 -1.199 6.939 1.00 0.00 O ATOM 1099 CB ALA A 72 12.088 0.418 7.338 1.00 0.00 C ATOM 0 H ALA A 72 13.275 0.444 5.100 1.00 0.00 H new ATOM 0 HA ALA A 72 13.901 1.473 7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.867 0.209 8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 72 11.563 1.322 7.030 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.758 -0.420 6.724 1.00 0.00 H new ATOM 1105 N ASN A 73 14.097 -0.976 8.920 1.00 0.00 N ATOM 1106 CA ASN A 73 14.760 -2.127 9.525 1.00 0.00 C ATOM 1107 C ASN A 73 13.776 -3.273 9.738 1.00 0.00 C ATOM 1108 O ASN A 73 12.566 -3.059 9.820 1.00 0.00 O ATOM 1109 CB ASN A 73 15.398 -1.738 10.863 1.00 0.00 C ATOM 1110 CG ASN A 73 15.953 -0.326 10.859 1.00 0.00 C ATOM 1111 OD1 ASN A 73 17.159 -0.120 10.724 1.00 0.00 O ATOM 1112 ND2 ASN A 73 15.071 0.656 11.008 1.00 0.00 N ATOM 0 H ASN A 73 13.441 -0.496 9.536 1.00 0.00 H new ATOM 0 HA ASN A 73 15.541 -2.460 8.841 1.00 0.00 H new ATOM 0 HB2 ASN A 73 14.655 -1.830 11.655 1.00 0.00 H new ATOM 0 HB3 ASN A 73 16.200 -2.439 11.096 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.385 1.627 11.014 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.080 0.439 11.117 1.00 0.00 H new ATOM 1119 N ASP A 74 14.304 -4.490 9.827 1.00 0.00 N ATOM 1120 CA ASP A 74 13.475 -5.673 10.032 1.00 0.00 C ATOM 1121 C ASP A 74 12.410 -5.791 8.944 1.00 0.00 C ATOM 1122 O ASP A 74 11.265 -6.151 9.217 1.00 0.00 O ATOM 1123 CB ASP A 74 12.812 -5.624 11.410 1.00 0.00 C ATOM 1124 CG ASP A 74 12.785 -6.980 12.087 1.00 0.00 C ATOM 1125 OD1 ASP A 74 12.122 -7.896 11.556 1.00 0.00 O ATOM 1126 OD2 ASP A 74 13.427 -7.126 13.149 1.00 0.00 O ATOM 0 H ASP A 74 15.303 -4.683 9.760 1.00 0.00 H new ATOM 0 HA ASP A 74 14.120 -6.550 9.977 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.347 -4.916 12.043 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.793 -5.252 11.307 1.00 0.00 H new ATOM 1131 N VAL A 75 12.798 -5.486 7.710 1.00 0.00 N ATOM 1132 CA VAL A 75 11.879 -5.558 6.580 1.00 0.00 C ATOM 1133 C VAL A 75 12.431 -6.470 5.484 1.00 0.00 C ATOM 1134 O VAL A 75 12.953 -5.998 4.474 1.00 0.00 O ATOM 1135 CB VAL A 75 11.600 -4.159 5.993 1.00 0.00 C ATOM 1136 CG1 VAL A 75 12.891 -3.506 5.520 1.00 0.00 C ATOM 1137 CG2 VAL A 75 10.585 -4.240 4.861 1.00 0.00 C ATOM 0 H VAL A 75 13.742 -5.187 7.467 1.00 0.00 H new ATOM 0 HA VAL A 75 10.943 -5.974 6.953 1.00 0.00 H new ATOM 0 HB VAL A 75 11.176 -3.537 6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.671 -2.520 5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.577 -3.404 6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.351 -4.125 4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.404 -3.242 4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.973 -4.882 4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.651 -4.655 5.239 1.00 0.00 H new ATOM 1147 N PRO A 76 12.319 -7.796 5.672 1.00 0.00 N ATOM 1148 CA PRO A 76 12.807 -8.776 4.696 1.00 0.00 C ATOM 1149 C PRO A 76 11.971 -8.787 3.421 1.00 0.00 C ATOM 1150 O PRO A 76 11.121 -9.657 3.231 1.00 0.00 O ATOM 1151 CB PRO A 76 12.674 -10.110 5.435 1.00 0.00 C ATOM 1152 CG PRO A 76 11.592 -9.883 6.434 1.00 0.00 C ATOM 1153 CD PRO A 76 11.707 -8.442 6.848 1.00 0.00 C ATOM 0 HA PRO A 76 13.823 -8.555 4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.417 -10.918 4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.609 -10.389 5.921 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.613 -10.088 6.002 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.707 -10.546 7.292 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.733 -8.012 7.081 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.327 -8.328 7.737 1.00 0.00 H new ATOM 1161 N ASP A 77 12.218 -7.814 2.550 1.00 0.00 N ATOM 1162 CA ASP A 77 11.486 -7.711 1.293 1.00 0.00 C ATOM 1163 C ASP A 77 12.442 -7.615 0.107 1.00 0.00 C ATOM 1164 O ASP A 77 12.818 -6.521 -0.312 1.00 0.00 O ATOM 1165 CB ASP A 77 10.562 -6.492 1.316 1.00 0.00 C ATOM 1166 CG ASP A 77 11.289 -5.219 1.704 1.00 0.00 C ATOM 1167 OD1 ASP A 77 12.533 -5.254 1.815 1.00 0.00 O ATOM 1168 OD2 ASP A 77 10.614 -4.186 1.896 1.00 0.00 O ATOM 0 H ASP A 77 12.919 -7.086 2.691 1.00 0.00 H new ATOM 0 HA ASP A 77 10.886 -8.614 1.179 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.111 -6.363 0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 77 9.748 -6.670 2.019 1.00 0.00 H new ATOM 1173 N GLU A 78 12.826 -8.768 -0.432 1.00 0.00 N ATOM 1174 CA GLU A 78 13.733 -8.814 -1.574 1.00 0.00 C ATOM 1175 C GLU A 78 12.957 -8.692 -2.881 1.00 0.00 C ATOM 1176 O GLU A 78 12.104 -9.525 -3.187 1.00 0.00 O ATOM 1177 CB GLU A 78 14.537 -10.115 -1.563 1.00 0.00 C ATOM 1178 CG GLU A 78 15.851 -10.013 -0.806 1.00 0.00 C ATOM 1179 CD GLU A 78 16.874 -11.030 -1.272 1.00 0.00 C ATOM 1180 OE1 GLU A 78 16.727 -11.545 -2.401 1.00 0.00 O ATOM 1181 OE2 GLU A 78 17.821 -11.312 -0.509 1.00 0.00 O ATOM 0 H GLU A 78 12.523 -9.683 -0.097 1.00 0.00 H new ATOM 0 HA GLU A 78 14.422 -7.973 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.931 -10.903 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.742 -10.414 -2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.260 -9.010 -0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.664 -10.153 0.259 1.00 0.00 H new ATOM 1188 N ILE A 79 13.250 -7.645 -3.645 1.00 0.00 N ATOM 1189 CA ILE A 79 12.570 -7.414 -4.915 1.00 0.00 C ATOM 1190 C ILE A 79 13.552 -7.000 -6.007 1.00 0.00 C ATOM 1191 O ILE A 79 14.664 -6.555 -5.722 1.00 0.00 O ATOM 1192 CB ILE A 79 11.480 -6.335 -4.778 1.00 0.00 C ATOM 1193 CG1 ILE A 79 12.093 -5.009 -4.313 1.00 0.00 C ATOM 1194 CG2 ILE A 79 10.393 -6.799 -3.817 1.00 0.00 C ATOM 1195 CD1 ILE A 79 12.542 -5.014 -2.867 1.00 0.00 C ATOM 0 H ILE A 79 13.952 -6.944 -3.408 1.00 0.00 H new ATOM 0 HA ILE A 79 12.104 -8.358 -5.198 1.00 0.00 H new ATOM 0 HB ILE A 79 11.024 -6.173 -5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 79 12.947 -4.773 -4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 79 11.362 -4.213 -4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.630 -6.026 -3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.940 -7.715 -4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 79 10.831 -6.988 -2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.964 -4.042 -2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.688 -5.218 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.298 -5.786 -2.723 1.00 0.00 H new ATOM 1207 N GLN A 80 13.134 -7.162 -7.259 1.00 0.00 N ATOM 1208 CA GLN A 80 13.977 -6.817 -8.400 1.00 0.00 C ATOM 1209 C GLN A 80 14.100 -5.304 -8.577 1.00 0.00 C ATOM 1210 O GLN A 80 15.192 -4.791 -8.817 1.00 0.00 O ATOM 1211 CB GLN A 80 13.428 -7.450 -9.682 1.00 0.00 C ATOM 1212 CG GLN A 80 11.930 -7.261 -9.872 1.00 0.00 C ATOM 1213 CD GLN A 80 11.591 -6.515 -11.148 1.00 0.00 C ATOM 1214 OE1 GLN A 80 11.833 -5.313 -11.261 1.00 0.00 O ATOM 1215 NE2 GLN A 80 11.028 -7.226 -12.118 1.00 0.00 N ATOM 0 H GLN A 80 12.216 -7.530 -7.510 1.00 0.00 H new ATOM 0 HA GLN A 80 14.973 -7.213 -8.201 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.949 -7.023 -10.538 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.651 -8.517 -9.673 1.00 0.00 H new ATOM 0 HG2 GLN A 80 11.444 -8.236 -9.886 1.00 0.00 H new ATOM 0 HG3 GLN A 80 11.526 -6.716 -9.019 1.00 0.00 H new ATOM 0 HE21 GLN A 80 10.845 -8.220 -11.981 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.778 -6.778 -13.000 1.00 0.00 H new ATOM 1224 N GLY A 81 12.980 -4.593 -8.465 1.00 0.00 N ATOM 1225 CA GLY A 81 13.009 -3.148 -8.626 1.00 0.00 C ATOM 1226 C GLY A 81 12.443 -2.408 -7.429 1.00 0.00 C ATOM 1227 O GLY A 81 11.468 -2.846 -6.820 1.00 0.00 O ATOM 0 H GLY A 81 12.060 -4.987 -8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.037 -2.827 -8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.442 -2.875 -9.516 1.00 0.00 H new ATOM 1231 N PHE A 82 13.074 -1.288 -7.084 1.00 0.00 N ATOM 1232 CA PHE A 82 12.663 -0.479 -5.951 1.00 0.00 C ATOM 1233 C PHE A 82 11.204 -0.209 -5.861 1.00 0.00 C ATOM 1234 O PHE A 82 10.638 -0.309 -4.772 1.00 0.00 O ATOM 1235 CB PHE A 82 13.432 0.823 -5.931 1.00 0.00 C ATOM 1236 CG PHE A 82 14.472 0.790 -4.886 1.00 0.00 C ATOM 1237 CD1 PHE A 82 14.108 0.582 -3.574 1.00 0.00 C ATOM 1238 CD2 PHE A 82 15.800 0.917 -5.214 1.00 0.00 C ATOM 1239 CE1 PHE A 82 15.069 0.514 -2.587 1.00 0.00 C ATOM 1240 CE2 PHE A 82 16.766 0.846 -4.245 1.00 0.00 C ATOM 1241 CZ PHE A 82 16.406 0.646 -2.923 1.00 0.00 C ATOM 0 H PHE A 82 13.883 -0.920 -7.585 1.00 0.00 H new ATOM 0 HA PHE A 82 12.899 -1.081 -5.074 1.00 0.00 H new ATOM 0 HB2 PHE A 82 13.891 0.997 -6.904 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.750 1.653 -5.748 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.065 0.472 -3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.085 1.074 -6.244 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.780 0.359 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 82 17.808 0.946 -4.512 1.00 0.00 H new ATOM 0 HZ PHE A 82 17.165 0.593 -2.157 1.00 0.00 H new ATOM 1251 N PRO A 83 10.550 0.167 -6.935 1.00 0.00 N ATOM 1252 CA PRO A 83 9.161 0.457 -6.818 1.00 0.00 C ATOM 1253 C PRO A 83 8.350 -0.813 -6.630 1.00 0.00 C ATOM 1254 O PRO A 83 7.650 -1.274 -7.532 1.00 0.00 O ATOM 1255 CB PRO A 83 8.832 1.190 -8.108 1.00 0.00 C ATOM 1256 CG PRO A 83 9.839 0.697 -9.092 1.00 0.00 C ATOM 1257 CD PRO A 83 11.077 0.373 -8.296 1.00 0.00 C ATOM 0 HA PRO A 83 8.917 1.061 -5.944 1.00 0.00 H new ATOM 0 HB2 PRO A 83 7.816 0.973 -8.439 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.901 2.270 -7.978 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.472 -0.185 -9.617 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.049 1.454 -9.848 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.578 -0.518 -8.674 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.803 1.186 -8.329 1.00 0.00 H new ATOM 1265 N THR A 84 8.486 -1.378 -5.437 1.00 0.00 N ATOM 1266 CA THR A 84 7.816 -2.610 -5.068 1.00 0.00 C ATOM 1267 C THR A 84 6.419 -2.336 -4.514 1.00 0.00 C ATOM 1268 O THR A 84 6.200 -1.353 -3.808 1.00 0.00 O ATOM 1269 CB THR A 84 8.686 -3.358 -4.046 1.00 0.00 C ATOM 1270 OG1 THR A 84 9.168 -4.566 -4.603 1.00 0.00 O ATOM 1271 CG2 THR A 84 7.976 -3.705 -2.751 1.00 0.00 C ATOM 0 H THR A 84 9.069 -0.989 -4.696 1.00 0.00 H new ATOM 0 HA THR A 84 7.686 -3.231 -5.954 1.00 0.00 H new ATOM 0 HB THR A 84 9.493 -2.665 -3.807 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.411 -5.129 -4.869 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.664 -4.231 -2.089 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.634 -2.790 -2.267 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.119 -4.344 -2.966 1.00 0.00 H new ATOM 1279 N ILE A 85 5.479 -3.217 -4.840 1.00 0.00 N ATOM 1280 CA ILE A 85 4.105 -3.077 -4.375 1.00 0.00 C ATOM 1281 C ILE A 85 3.633 -4.350 -3.682 1.00 0.00 C ATOM 1282 O ILE A 85 3.461 -5.389 -4.320 1.00 0.00 O ATOM 1283 CB ILE A 85 3.143 -2.755 -5.535 1.00 0.00 C ATOM 1284 CG1 ILE A 85 3.770 -1.734 -6.487 1.00 0.00 C ATOM 1285 CG2 ILE A 85 1.817 -2.240 -4.996 1.00 0.00 C ATOM 1286 CD1 ILE A 85 2.976 -1.525 -7.758 1.00 0.00 C ATOM 0 H ILE A 85 5.644 -4.036 -5.425 1.00 0.00 H new ATOM 0 HA ILE A 85 4.095 -2.248 -3.667 1.00 0.00 H new ATOM 0 HB ILE A 85 2.956 -3.672 -6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.869 -0.780 -5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.776 -2.062 -6.747 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.148 -2.017 -5.827 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.363 -3.000 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.988 -1.334 -4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.479 -0.789 -8.385 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.898 -2.469 -8.298 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.977 -1.167 -7.508 1.00 0.00 H new ATOM 1298 N LYS A 86 3.426 -4.264 -2.372 1.00 0.00 N ATOM 1299 CA LYS A 86 2.975 -5.411 -1.593 1.00 0.00 C ATOM 1300 C LYS A 86 1.491 -5.290 -1.261 1.00 0.00 C ATOM 1301 O LYS A 86 1.045 -4.274 -0.729 1.00 0.00 O ATOM 1302 CB LYS A 86 3.791 -5.532 -0.305 1.00 0.00 C ATOM 1303 CG LYS A 86 5.237 -5.938 -0.537 1.00 0.00 C ATOM 1304 CD LYS A 86 5.863 -6.515 0.722 1.00 0.00 C ATOM 1305 CE LYS A 86 7.047 -7.411 0.396 1.00 0.00 C ATOM 1306 NZ LYS A 86 7.954 -6.790 -0.609 1.00 0.00 N ATOM 0 H LYS A 86 3.563 -3.412 -1.828 1.00 0.00 H new ATOM 0 HA LYS A 86 3.123 -6.309 -2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.770 -4.577 0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.317 -6.265 0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.285 -6.675 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.811 -5.072 -0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.188 -5.703 1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.115 -7.085 1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.605 -7.621 1.308 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.685 -8.367 0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.807 -7.376 -0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.464 -6.722 -1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.226 -5.838 -0.290 1.00 0.00 H new ATOM 1320 N LEU A 87 0.732 -6.333 -1.582 1.00 0.00 N ATOM 1321 CA LEU A 87 -0.703 -6.341 -1.321 1.00 0.00 C ATOM 1322 C LEU A 87 -1.050 -7.313 -0.197 1.00 0.00 C ATOM 1323 O LEU A 87 -0.540 -8.433 -0.149 1.00 0.00 O ATOM 1324 CB LEU A 87 -1.469 -6.713 -2.593 1.00 0.00 C ATOM 1325 CG LEU A 87 -2.578 -5.736 -2.989 1.00 0.00 C ATOM 1326 CD1 LEU A 87 -3.721 -5.793 -1.988 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -2.027 -4.322 -3.094 1.00 0.00 C ATOM 0 H LEU A 87 1.086 -7.182 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.996 -5.339 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.760 -6.788 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.907 -7.702 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.964 -6.028 -3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.501 -5.092 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.132 -6.802 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.351 -5.526 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.828 -3.639 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.615 -4.020 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.242 -4.293 -3.850 1.00 0.00 H new ATOM 1339 N TYR A 88 -1.924 -6.874 0.704 1.00 0.00 N ATOM 1340 CA TYR A 88 -2.348 -7.699 1.830 1.00 0.00 C ATOM 1341 C TYR A 88 -3.868 -7.672 1.977 1.00 0.00 C ATOM 1342 O TYR A 88 -4.420 -6.784 2.626 1.00 0.00 O ATOM 1343 CB TYR A 88 -1.689 -7.212 3.120 1.00 0.00 C ATOM 1344 CG TYR A 88 -0.280 -7.725 3.309 1.00 0.00 C ATOM 1345 CD1 TYR A 88 -0.032 -9.080 3.492 1.00 0.00 C ATOM 1346 CD2 TYR A 88 0.803 -6.855 3.307 1.00 0.00 C ATOM 1347 CE1 TYR A 88 1.254 -9.553 3.668 1.00 0.00 C ATOM 1348 CE2 TYR A 88 2.093 -7.320 3.481 1.00 0.00 C ATOM 1349 CZ TYR A 88 2.313 -8.669 3.661 1.00 0.00 C ATOM 1350 OH TYR A 88 3.596 -9.136 3.835 1.00 0.00 O ATOM 0 H TYR A 88 -2.353 -5.949 0.676 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.037 -8.726 1.638 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.673 -6.122 3.121 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.297 -7.523 3.969 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.859 -9.775 3.497 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.634 -5.797 3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.429 -10.609 3.810 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.924 -6.630 3.476 1.00 0.00 H new ATOM 0 HH TYR A 88 4.225 -8.385 3.803 1.00 0.00 H new ATOM 1360 N PRO A 89 -4.568 -8.649 1.372 1.00 0.00 N ATOM 1361 CA PRO A 89 -6.030 -8.729 1.438 1.00 0.00 C ATOM 1362 C PRO A 89 -6.527 -9.177 2.808 1.00 0.00 C ATOM 1363 O PRO A 89 -5.892 -9.997 3.472 1.00 0.00 O ATOM 1364 CB PRO A 89 -6.373 -9.775 0.377 1.00 0.00 C ATOM 1365 CG PRO A 89 -5.167 -10.644 0.302 1.00 0.00 C ATOM 1366 CD PRO A 89 -3.989 -9.747 0.573 1.00 0.00 C ATOM 0 HA PRO A 89 -6.499 -7.760 1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.257 -10.348 0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.586 -9.309 -0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.221 -11.449 1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.084 -11.111 -0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.204 -10.270 1.119 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.544 -9.379 -0.351 1.00 0.00 H new ATOM 1374 N ALA A 90 -7.667 -8.636 3.225 1.00 0.00 N ATOM 1375 CA ALA A 90 -8.250 -8.982 4.515 1.00 0.00 C ATOM 1376 C ALA A 90 -8.952 -10.335 4.451 1.00 0.00 C ATOM 1377 O ALA A 90 -9.900 -10.518 3.687 1.00 0.00 O ATOM 1378 CB ALA A 90 -9.221 -7.900 4.963 1.00 0.00 C ATOM 0 H ALA A 90 -8.205 -7.956 2.688 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.444 -9.053 5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.649 -8.172 5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.692 -6.952 5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.019 -7.800 4.227 1.00 0.00 H new ATOM 1384 N GLY A 91 -8.478 -11.280 5.256 1.00 0.00 N ATOM 1385 CA GLY A 91 -9.070 -12.605 5.273 1.00 0.00 C ATOM 1386 C GLY A 91 -8.120 -13.668 4.759 1.00 0.00 C ATOM 1387 O GLY A 91 -8.109 -14.794 5.257 1.00 0.00 O ATOM 0 H GLY A 91 -7.695 -11.152 5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.372 -12.852 6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.974 -12.604 4.664 1.00 0.00 H new ATOM 1391 N ALA A 92 -7.319 -13.309 3.761 1.00 0.00 N ATOM 1392 CA ALA A 92 -6.359 -14.240 3.180 1.00 0.00 C ATOM 1393 C ALA A 92 -4.939 -13.678 3.228 1.00 0.00 C ATOM 1394 O ALA A 92 -4.048 -14.161 2.530 1.00 0.00 O ATOM 1395 CB ALA A 92 -6.748 -14.569 1.746 1.00 0.00 C ATOM 0 H ALA A 92 -7.316 -12.381 3.338 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.377 -15.154 3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.024 -15.265 1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.739 -15.024 1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.761 -13.654 1.153 1.00 0.00 H new ATOM 1401 N LYS A 93 -4.733 -12.656 4.056 1.00 0.00 N ATOM 1402 CA LYS A 93 -3.419 -12.035 4.190 1.00 0.00 C ATOM 1403 C LYS A 93 -2.376 -13.059 4.632 1.00 0.00 C ATOM 1404 O LYS A 93 -2.660 -14.254 4.705 1.00 0.00 O ATOM 1405 CB LYS A 93 -3.475 -10.872 5.187 1.00 0.00 C ATOM 1406 CG LYS A 93 -4.122 -11.229 6.518 1.00 0.00 C ATOM 1407 CD LYS A 93 -3.245 -12.164 7.335 1.00 0.00 C ATOM 1408 CE LYS A 93 -3.736 -13.601 7.255 1.00 0.00 C ATOM 1409 NZ LYS A 93 -2.629 -14.579 7.443 1.00 0.00 N ATOM 0 H LYS A 93 -5.458 -12.242 4.642 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.127 -11.647 3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.462 -10.516 5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.026 -10.047 4.736 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.312 -10.319 7.086 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.088 -11.700 6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.218 -12.109 6.974 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.235 -11.839 8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.499 -13.766 8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.208 -13.770 6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.941 -15.338 8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.367 -14.987 6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.805 -14.096 7.855 1.00 0.00 H new ATOM 1423 N GLY A 94 -1.169 -12.583 4.922 1.00 0.00 N ATOM 1424 CA GLY A 94 -0.105 -13.473 5.348 1.00 0.00 C ATOM 1425 C GLY A 94 0.928 -13.707 4.261 1.00 0.00 C ATOM 1426 O GLY A 94 2.022 -14.203 4.533 1.00 0.00 O ATOM 0 H GLY A 94 -0.909 -11.598 4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.385 -13.053 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.534 -14.429 5.649 1.00 0.00 H new ATOM 1430 N GLN A 95 0.584 -13.346 3.028 1.00 0.00 N ATOM 1431 CA GLN A 95 1.491 -13.516 1.899 1.00 0.00 C ATOM 1432 C GLN A 95 1.634 -12.209 1.120 1.00 0.00 C ATOM 1433 O GLN A 95 0.679 -11.742 0.499 1.00 0.00 O ATOM 1434 CB GLN A 95 0.993 -14.630 0.970 1.00 0.00 C ATOM 1435 CG GLN A 95 -0.518 -14.659 0.787 1.00 0.00 C ATOM 1436 CD GLN A 95 -0.993 -13.725 -0.309 1.00 0.00 C ATOM 1437 OE1 GLN A 95 -0.726 -13.948 -1.490 1.00 0.00 O ATOM 1438 NE2 GLN A 95 -1.701 -12.670 0.079 1.00 0.00 N ATOM 0 H GLN A 95 -0.317 -12.934 2.786 1.00 0.00 H new ATOM 0 HA GLN A 95 2.469 -13.797 2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 95 1.464 -14.512 -0.006 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.318 -15.592 1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.832 -15.676 0.553 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.999 -14.385 1.726 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.899 -12.525 1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.047 -12.005 -0.613 1.00 0.00 H new ATOM 1447 N PRO A 96 2.831 -11.594 1.142 1.00 0.00 N ATOM 1448 CA PRO A 96 3.080 -10.334 0.433 1.00 0.00 C ATOM 1449 C PRO A 96 3.024 -10.500 -1.082 1.00 0.00 C ATOM 1450 O PRO A 96 3.810 -11.248 -1.664 1.00 0.00 O ATOM 1451 CB PRO A 96 4.494 -9.944 0.875 1.00 0.00 C ATOM 1452 CG PRO A 96 5.133 -11.224 1.285 1.00 0.00 C ATOM 1453 CD PRO A 96 4.030 -12.072 1.855 1.00 0.00 C ATOM 0 HA PRO A 96 2.325 -9.583 0.666 1.00 0.00 H new ATOM 0 HB2 PRO A 96 5.045 -9.469 0.063 1.00 0.00 H new ATOM 0 HB3 PRO A 96 4.468 -9.233 1.701 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.603 -11.716 0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.915 -11.051 2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.206 -13.133 1.679 1.00 0.00 H new ATOM 0 HD3 PRO A 96 3.937 -11.939 2.933 1.00 0.00 H new ATOM 1461 N VAL A 97 2.090 -9.798 -1.715 1.00 0.00 N ATOM 1462 CA VAL A 97 1.933 -9.868 -3.162 1.00 0.00 C ATOM 1463 C VAL A 97 2.961 -8.988 -3.865 1.00 0.00 C ATOM 1464 O VAL A 97 2.848 -7.763 -3.865 1.00 0.00 O ATOM 1465 CB VAL A 97 0.519 -9.436 -3.596 1.00 0.00 C ATOM 1466 CG1 VAL A 97 0.326 -9.647 -5.090 1.00 0.00 C ATOM 1467 CG2 VAL A 97 -0.537 -10.193 -2.804 1.00 0.00 C ATOM 0 H VAL A 97 1.431 -9.175 -1.249 1.00 0.00 H new ATOM 0 HA VAL A 97 2.089 -10.908 -3.449 1.00 0.00 H new ATOM 0 HB VAL A 97 0.407 -8.372 -3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.679 -9.335 -5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.058 -9.055 -5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.460 -10.702 -5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.529 -9.875 -3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.425 -11.263 -2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.414 -9.984 -1.741 1.00 0.00 H new ATOM 1477 N THR A 98 3.964 -9.623 -4.463 1.00 0.00 N ATOM 1478 CA THR A 98 5.014 -8.897 -5.170 1.00 0.00 C ATOM 1479 C THR A 98 4.586 -8.573 -6.597 1.00 0.00 C ATOM 1480 O THR A 98 4.486 -9.461 -7.444 1.00 0.00 O ATOM 1481 CB THR A 98 6.310 -9.713 -5.184 1.00 0.00 C ATOM 1482 OG1 THR A 98 6.046 -11.081 -4.921 1.00 0.00 O ATOM 1483 CG2 THR A 98 7.327 -9.237 -4.169 1.00 0.00 C ATOM 0 H THR A 98 4.072 -10.637 -4.472 1.00 0.00 H new ATOM 0 HA THR A 98 5.191 -7.960 -4.642 1.00 0.00 H new ATOM 0 HB THR A 98 6.726 -9.577 -6.182 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.886 -11.585 -4.936 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.221 -9.857 -4.231 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.590 -8.200 -4.376 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.903 -9.311 -3.167 1.00 0.00 H new ATOM 1491 N TYR A 99 4.334 -7.294 -6.856 1.00 0.00 N ATOM 1492 CA TYR A 99 3.917 -6.849 -8.180 1.00 0.00 C ATOM 1493 C TYR A 99 5.017 -7.085 -9.208 1.00 0.00 C ATOM 1494 O TYR A 99 6.067 -7.645 -8.893 1.00 0.00 O ATOM 1495 CB TYR A 99 3.551 -5.364 -8.148 1.00 0.00 C ATOM 1496 CG TYR A 99 2.090 -5.104 -7.863 1.00 0.00 C ATOM 1497 CD1 TYR A 99 1.432 -5.777 -6.842 1.00 0.00 C ATOM 1498 CD2 TYR A 99 1.372 -4.181 -8.611 1.00 0.00 C ATOM 1499 CE1 TYR A 99 0.097 -5.538 -6.575 1.00 0.00 C ATOM 1500 CE2 TYR A 99 0.037 -3.936 -8.350 1.00 0.00 C ATOM 1501 CZ TYR A 99 -0.595 -4.617 -7.332 1.00 0.00 C ATOM 1502 OH TYR A 99 -1.923 -4.375 -7.068 1.00 0.00 O ATOM 0 H TYR A 99 4.412 -6.547 -6.166 1.00 0.00 H new ATOM 0 HA TYR A 99 3.042 -7.430 -8.470 1.00 0.00 H new ATOM 0 HB2 TYR A 99 4.154 -4.867 -7.389 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.811 -4.914 -9.106 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.972 -6.499 -6.247 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.864 -3.646 -9.410 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.401 -6.070 -5.778 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.508 -3.215 -8.941 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.140 -3.448 -7.302 1.00 0.00 H new ATOM 1512 N SER A 100 4.770 -6.646 -10.437 1.00 0.00 N ATOM 1513 CA SER A 100 5.740 -6.801 -11.516 1.00 0.00 C ATOM 1514 C SER A 100 6.218 -5.440 -12.020 1.00 0.00 C ATOM 1515 O SER A 100 6.804 -5.340 -13.098 1.00 0.00 O ATOM 1516 CB SER A 100 5.128 -7.598 -12.669 1.00 0.00 C ATOM 1517 OG SER A 100 3.844 -7.102 -13.009 1.00 0.00 O ATOM 0 H SER A 100 3.906 -6.179 -10.712 1.00 0.00 H new ATOM 0 HA SER A 100 6.599 -7.345 -11.123 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.783 -7.546 -13.539 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.053 -8.649 -12.389 1.00 0.00 H new ATOM 0 HG SER A 100 3.476 -7.628 -13.750 1.00 0.00 H new ATOM 1523 N GLY A 101 5.965 -4.395 -11.235 1.00 0.00 N ATOM 1524 CA GLY A 101 6.378 -3.059 -11.623 1.00 0.00 C ATOM 1525 C GLY A 101 5.269 -2.038 -11.459 1.00 0.00 C ATOM 1526 O GLY A 101 4.141 -2.259 -11.899 1.00 0.00 O ATOM 0 H GLY A 101 5.482 -4.451 -10.338 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.236 -2.758 -11.022 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.706 -3.071 -12.663 1.00 0.00 H new ATOM 1530 N SER A 102 5.591 -0.915 -10.824 1.00 0.00 N ATOM 1531 CA SER A 102 4.614 0.146 -10.604 1.00 0.00 C ATOM 1532 C SER A 102 4.616 1.137 -11.763 1.00 0.00 C ATOM 1533 O SER A 102 5.559 1.179 -12.554 1.00 0.00 O ATOM 1534 CB SER A 102 4.910 0.876 -9.292 1.00 0.00 C ATOM 1535 OG SER A 102 3.751 1.523 -8.795 1.00 0.00 O ATOM 0 H SER A 102 6.520 -0.716 -10.453 1.00 0.00 H new ATOM 0 HA SER A 102 3.626 -0.311 -10.543 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.279 0.166 -8.552 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.700 1.610 -9.451 1.00 0.00 H new ATOM 0 HG SER A 102 3.820 1.616 -7.822 1.00 0.00 H new ATOM 1541 N ARG A 103 3.556 1.933 -11.859 1.00 0.00 N ATOM 1542 CA ARG A 103 3.439 2.922 -12.924 1.00 0.00 C ATOM 1543 C ARG A 103 2.435 4.010 -12.555 1.00 0.00 C ATOM 1544 O ARG A 103 2.806 5.165 -12.348 1.00 0.00 O ATOM 1545 CB ARG A 103 3.020 2.248 -14.232 1.00 0.00 C ATOM 1546 CG ARG A 103 3.620 2.896 -15.469 1.00 0.00 C ATOM 1547 CD ARG A 103 3.928 1.866 -16.543 1.00 0.00 C ATOM 1548 NE ARG A 103 4.288 2.491 -17.814 1.00 0.00 N ATOM 1549 CZ ARG A 103 3.404 3.026 -18.653 1.00 0.00 C ATOM 1550 NH1 ARG A 103 2.110 3.014 -18.361 1.00 0.00 N ATOM 1551 NH2 ARG A 103 3.816 3.576 -19.788 1.00 0.00 N ATOM 0 H ARG A 103 2.767 1.912 -11.213 1.00 0.00 H new ATOM 0 HA ARG A 103 4.416 3.387 -13.059 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.316 1.199 -14.202 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.933 2.271 -14.311 1.00 0.00 H new ATOM 0 HG2 ARG A 103 2.927 3.639 -15.864 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.534 3.424 -15.197 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.746 1.227 -16.209 1.00 0.00 H new ATOM 0 HD3 ARG A 103 3.060 1.223 -16.688 1.00 0.00 H new ATOM 0 HE ARG A 103 5.274 2.519 -18.073 1.00 0.00 H new ATOM 0 HH11 ARG A 103 1.788 2.593 -17.490 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.437 3.426 -19.008 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.810 3.589 -20.017 1.00 0.00 H new ATOM 0 HH22 ARG A 103 3.139 3.986 -20.431 1.00 0.00 H new ATOM 1565 N THR A 104 1.162 3.635 -12.477 1.00 0.00 N ATOM 1566 CA THR A 104 0.107 4.582 -12.136 1.00 0.00 C ATOM 1567 C THR A 104 -0.798 4.024 -11.042 1.00 0.00 C ATOM 1568 O THR A 104 -0.890 2.811 -10.857 1.00 0.00 O ATOM 1569 CB THR A 104 -0.722 4.920 -13.376 1.00 0.00 C ATOM 1570 OG1 THR A 104 0.115 5.102 -14.504 1.00 0.00 O ATOM 1571 CG2 THR A 104 -1.555 6.173 -13.216 1.00 0.00 C ATOM 0 H THR A 104 0.837 2.683 -12.645 1.00 0.00 H new ATOM 0 HA THR A 104 0.578 5.491 -11.761 1.00 0.00 H new ATOM 0 HB THR A 104 -1.393 4.072 -13.514 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.434 5.316 -15.287 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.118 6.355 -14.131 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.247 6.046 -12.384 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.901 7.022 -13.018 1.00 0.00 H new ATOM 1579 N VAL A 105 -1.463 4.920 -10.320 1.00 0.00 N ATOM 1580 CA VAL A 105 -2.361 4.523 -9.243 1.00 0.00 C ATOM 1581 C VAL A 105 -3.598 3.815 -9.787 1.00 0.00 C ATOM 1582 O VAL A 105 -4.170 2.950 -9.125 1.00 0.00 O ATOM 1583 CB VAL A 105 -2.807 5.739 -8.410 1.00 0.00 C ATOM 1584 CG1 VAL A 105 -1.621 6.349 -7.678 1.00 0.00 C ATOM 1585 CG2 VAL A 105 -3.488 6.771 -9.296 1.00 0.00 C ATOM 0 H VAL A 105 -1.396 5.928 -10.462 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.804 3.836 -8.606 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.528 5.403 -7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.956 7.207 -7.095 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.183 5.606 -7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.873 6.672 -8.402 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.797 7.623 -8.691 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.792 7.105 -10.066 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.364 6.325 -9.767 1.00 0.00 H new ATOM 1595 N GLU A 106 -4.007 4.190 -10.994 1.00 0.00 N ATOM 1596 CA GLU A 106 -5.179 3.591 -11.624 1.00 0.00 C ATOM 1597 C GLU A 106 -4.998 2.086 -11.797 1.00 0.00 C ATOM 1598 O GLU A 106 -5.957 1.320 -11.702 1.00 0.00 O ATOM 1599 CB GLU A 106 -5.444 4.244 -12.981 1.00 0.00 C ATOM 1600 CG GLU A 106 -4.333 4.016 -13.993 1.00 0.00 C ATOM 1601 CD GLU A 106 -4.303 5.078 -15.075 1.00 0.00 C ATOM 1602 OE1 GLU A 106 -4.862 6.171 -14.848 1.00 0.00 O ATOM 1603 OE2 GLU A 106 -3.721 4.816 -16.148 1.00 0.00 O ATOM 0 H GLU A 106 -3.545 4.905 -11.556 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.036 3.761 -10.972 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.378 3.855 -13.386 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.580 5.316 -12.839 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.373 4.002 -13.476 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.462 3.037 -14.454 1.00 0.00 H new ATOM 1610 N ASP A 107 -3.762 1.669 -12.054 1.00 0.00 N ATOM 1611 CA ASP A 107 -3.456 0.255 -12.242 1.00 0.00 C ATOM 1612 C ASP A 107 -3.419 -0.480 -10.906 1.00 0.00 C ATOM 1613 O ASP A 107 -3.708 -1.674 -10.835 1.00 0.00 O ATOM 1614 CB ASP A 107 -2.117 0.094 -12.963 1.00 0.00 C ATOM 1615 CG ASP A 107 -1.832 -1.347 -13.338 1.00 0.00 C ATOM 1616 OD1 ASP A 107 -2.797 -2.129 -13.468 1.00 0.00 O ATOM 1617 OD2 ASP A 107 -0.643 -1.694 -13.502 1.00 0.00 O ATOM 0 H ASP A 107 -2.957 2.290 -12.137 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.246 -0.182 -12.853 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.116 0.708 -13.864 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.316 0.465 -12.324 1.00 0.00 H new ATOM 1622 N LEU A 108 -3.059 0.241 -9.848 1.00 0.00 N ATOM 1623 CA LEU A 108 -2.983 -0.346 -8.515 1.00 0.00 C ATOM 1624 C LEU A 108 -4.375 -0.618 -7.955 1.00 0.00 C ATOM 1625 O LEU A 108 -4.661 -1.718 -7.484 1.00 0.00 O ATOM 1626 CB LEU A 108 -2.213 0.581 -7.572 1.00 0.00 C ATOM 1627 CG LEU A 108 -1.327 -0.129 -6.546 1.00 0.00 C ATOM 1628 CD1 LEU A 108 -0.083 0.694 -6.254 1.00 0.00 C ATOM 1629 CD2 LEU A 108 -2.105 -0.397 -5.266 1.00 0.00 C ATOM 0 H LEU A 108 -2.816 1.231 -9.888 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.454 -1.296 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.589 1.246 -8.170 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.928 1.208 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.014 -1.085 -6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.535 0.173 -5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.485 0.834 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.375 1.666 -5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.460 -0.902 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.448 0.548 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.965 -1.029 -5.488 1.00 0.00 H new ATOM 1641 N ILE A 109 -5.237 0.392 -8.008 1.00 0.00 N ATOM 1642 CA ILE A 109 -6.599 0.264 -7.505 1.00 0.00 C ATOM 1643 C ILE A 109 -7.351 -0.854 -8.222 1.00 0.00 C ATOM 1644 O ILE A 109 -8.022 -1.670 -7.589 1.00 0.00 O ATOM 1645 CB ILE A 109 -7.381 1.584 -7.667 1.00 0.00 C ATOM 1646 CG1 ILE A 109 -8.799 1.440 -7.105 1.00 0.00 C ATOM 1647 CG2 ILE A 109 -7.418 1.997 -9.131 1.00 0.00 C ATOM 1648 CD1 ILE A 109 -9.684 2.640 -7.370 1.00 0.00 C ATOM 0 H ILE A 109 -5.016 1.309 -8.395 1.00 0.00 H new ATOM 0 HA ILE A 109 -6.524 0.021 -6.445 1.00 0.00 H new ATOM 0 HB ILE A 109 -6.871 2.365 -7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.264 0.554 -7.538 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.739 1.275 -6.029 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -7.973 2.930 -9.232 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -6.400 2.139 -9.495 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -7.908 1.219 -9.716 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -10.672 2.465 -6.943 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.243 3.526 -6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.776 2.794 -8.445 1.00 0.00 H new ATOM 1660 N LYS A 110 -7.238 -0.884 -9.546 1.00 0.00 N ATOM 1661 CA LYS A 110 -7.912 -1.900 -10.347 1.00 0.00 C ATOM 1662 C LYS A 110 -7.484 -3.304 -9.928 1.00 0.00 C ATOM 1663 O LYS A 110 -8.308 -4.215 -9.843 1.00 0.00 O ATOM 1664 CB LYS A 110 -7.615 -1.687 -11.833 1.00 0.00 C ATOM 1665 CG LYS A 110 -8.354 -2.653 -12.745 1.00 0.00 C ATOM 1666 CD LYS A 110 -7.511 -3.035 -13.951 1.00 0.00 C ATOM 1667 CE LYS A 110 -6.402 -4.004 -13.571 1.00 0.00 C ATOM 1668 NZ LYS A 110 -6.181 -5.035 -14.622 1.00 0.00 N ATOM 0 H LYS A 110 -6.687 -0.217 -10.087 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.985 -1.804 -10.178 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.882 -0.666 -12.106 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.543 -1.791 -11.999 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.620 -3.551 -12.187 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.286 -2.198 -13.080 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.147 -3.488 -14.712 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.077 -2.138 -14.392 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.478 -3.451 -13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.654 -4.493 -12.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.418 -5.676 -14.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.055 -5.580 -14.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.915 -4.570 -15.514 1.00 0.00 H new ATOM 1682 N PHE A 111 -6.192 -3.470 -9.671 1.00 0.00 N ATOM 1683 CA PHE A 111 -5.654 -4.763 -9.264 1.00 0.00 C ATOM 1684 C PHE A 111 -6.191 -5.175 -7.896 1.00 0.00 C ATOM 1685 O PHE A 111 -6.623 -6.312 -7.705 1.00 0.00 O ATOM 1686 CB PHE A 111 -4.126 -4.713 -9.229 1.00 0.00 C ATOM 1687 CG PHE A 111 -3.473 -5.973 -9.721 1.00 0.00 C ATOM 1688 CD1 PHE A 111 -3.282 -6.187 -11.077 1.00 0.00 C ATOM 1689 CD2 PHE A 111 -3.050 -6.944 -8.827 1.00 0.00 C ATOM 1690 CE1 PHE A 111 -2.681 -7.346 -11.531 1.00 0.00 C ATOM 1691 CE2 PHE A 111 -2.449 -8.104 -9.276 1.00 0.00 C ATOM 1692 CZ PHE A 111 -2.264 -8.305 -10.630 1.00 0.00 C ATOM 0 H PHE A 111 -5.497 -2.726 -9.737 1.00 0.00 H new ATOM 0 HA PHE A 111 -5.972 -5.505 -9.996 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -3.784 -3.875 -9.836 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.800 -4.520 -8.207 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.606 -5.440 -11.787 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.192 -6.792 -7.767 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.538 -7.501 -12.590 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.124 -8.853 -8.569 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.794 -9.211 -10.983 1.00 0.00 H new ATOM 1702 N ILE A 112 -6.159 -4.245 -6.947 1.00 0.00 N ATOM 1703 CA ILE A 112 -6.641 -4.512 -5.596 1.00 0.00 C ATOM 1704 C ILE A 112 -8.072 -5.045 -5.617 1.00 0.00 C ATOM 1705 O ILE A 112 -8.469 -5.818 -4.745 1.00 0.00 O ATOM 1706 CB ILE A 112 -6.584 -3.245 -4.717 1.00 0.00 C ATOM 1707 CG1 ILE A 112 -5.162 -2.683 -4.687 1.00 0.00 C ATOM 1708 CG2 ILE A 112 -7.065 -3.550 -3.305 1.00 0.00 C ATOM 1709 CD1 ILE A 112 -5.109 -1.179 -4.529 1.00 0.00 C ATOM 0 H ILE A 112 -5.804 -3.299 -7.088 1.00 0.00 H new ATOM 0 HA ILE A 112 -5.983 -5.269 -5.169 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.246 -2.495 -5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.614 -3.146 -3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.651 -2.962 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.017 -2.644 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.094 -3.909 -3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.429 -4.316 -2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.070 -0.851 -4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.628 -0.707 -5.363 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.591 -0.894 -3.594 1.00 0.00 H new ATOM 1721 N ALA A 113 -8.840 -4.628 -6.617 1.00 0.00 N ATOM 1722 CA ALA A 113 -10.223 -5.068 -6.749 1.00 0.00 C ATOM 1723 C ALA A 113 -10.298 -6.459 -7.367 1.00 0.00 C ATOM 1724 O ALA A 113 -11.214 -7.230 -7.077 1.00 0.00 O ATOM 1725 CB ALA A 113 -11.018 -4.074 -7.582 1.00 0.00 C ATOM 0 H ALA A 113 -8.529 -3.987 -7.347 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.659 -5.117 -5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.049 -4.417 -7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -11.001 -3.098 -7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -10.575 -3.994 -8.575 1.00 0.00 H new ATOM 1731 N GLU A 114 -9.329 -6.776 -8.219 1.00 0.00 N ATOM 1732 CA GLU A 114 -9.283 -8.076 -8.877 1.00 0.00 C ATOM 1733 C GLU A 114 -8.707 -9.139 -7.946 1.00 0.00 C ATOM 1734 O GLU A 114 -9.039 -10.319 -8.054 1.00 0.00 O ATOM 1735 CB GLU A 114 -8.447 -7.995 -10.156 1.00 0.00 C ATOM 1736 CG GLU A 114 -8.996 -7.015 -11.180 1.00 0.00 C ATOM 1737 CD GLU A 114 -9.997 -7.655 -12.121 1.00 0.00 C ATOM 1738 OE1 GLU A 114 -9.616 -8.606 -12.835 1.00 0.00 O ATOM 1739 OE2 GLU A 114 -11.162 -7.205 -12.144 1.00 0.00 O ATOM 0 H GLU A 114 -8.564 -6.150 -8.470 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.303 -8.360 -9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.429 -7.705 -9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.391 -8.986 -10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.471 -6.182 -10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.171 -6.601 -11.760 1.00 0.00 H new ATOM 1746 N ASN A 115 -7.842 -8.712 -7.030 1.00 0.00 N ATOM 1747 CA ASN A 115 -7.221 -9.627 -6.079 1.00 0.00 C ATOM 1748 C ASN A 115 -7.663 -9.316 -4.651 1.00 0.00 C ATOM 1749 O ASN A 115 -6.981 -9.673 -3.690 1.00 0.00 O ATOM 1750 CB ASN A 115 -5.697 -9.545 -6.181 1.00 0.00 C ATOM 1751 CG ASN A 115 -5.208 -9.620 -7.614 1.00 0.00 C ATOM 1752 OD1 ASN A 115 -4.628 -10.622 -8.033 1.00 0.00 O ATOM 1753 ND2 ASN A 115 -5.441 -8.557 -8.375 1.00 0.00 N ATOM 0 H ASN A 115 -7.556 -7.738 -6.927 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.542 -10.639 -6.327 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -5.355 -8.612 -5.732 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -5.253 -10.357 -5.606 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -5.136 -8.550 -9.348 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -5.925 -7.748 -7.986 1.00 0.00 H new ATOM 1760 N GLY A 116 -8.807 -8.651 -4.519 1.00 0.00 N ATOM 1761 CA GLY A 116 -9.316 -8.306 -3.205 1.00 0.00 C ATOM 1762 C GLY A 116 -10.534 -9.124 -2.822 1.00 0.00 C ATOM 1763 O GLY A 116 -11.329 -9.505 -3.682 1.00 0.00 O ATOM 0 H GLY A 116 -9.390 -8.345 -5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.532 -8.459 -2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.572 -7.247 -3.185 1.00 0.00 H new ATOM 1767 N LYS A 117 -10.681 -9.394 -1.530 1.00 0.00 N ATOM 1768 CA LYS A 117 -11.810 -10.172 -1.034 1.00 0.00 C ATOM 1769 C LYS A 117 -13.056 -9.302 -0.905 1.00 0.00 C ATOM 1770 O LYS A 117 -14.178 -9.778 -1.079 1.00 0.00 O ATOM 1771 CB LYS A 117 -11.470 -10.799 0.319 1.00 0.00 C ATOM 1772 CG LYS A 117 -12.526 -11.770 0.821 1.00 0.00 C ATOM 1773 CD LYS A 117 -11.901 -12.930 1.580 1.00 0.00 C ATOM 1774 CE LYS A 117 -12.869 -14.095 1.712 1.00 0.00 C ATOM 1775 NZ LYS A 117 -13.188 -14.704 0.391 1.00 0.00 N ATOM 0 H LYS A 117 -10.032 -9.085 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 117 -12.015 -10.965 -1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -10.517 -11.321 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.338 -10.006 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -13.226 -11.244 1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -13.100 -12.153 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.000 -13.261 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -11.595 -12.595 2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -12.438 -14.853 2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -13.789 -13.751 2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.509 -15.684 0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -13.941 -14.155 -0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -12.338 -14.699 -0.208 1.00 0.00 H new ATOM 1789 N TYR A 118 -12.852 -8.026 -0.598 1.00 0.00 N ATOM 1790 CA TYR A 118 -13.959 -7.090 -0.445 1.00 0.00 C ATOM 1791 C TYR A 118 -14.512 -6.672 -1.804 1.00 0.00 C ATOM 1792 O TYR A 118 -15.707 -6.411 -1.947 1.00 0.00 O ATOM 1793 CB TYR A 118 -13.506 -5.855 0.335 1.00 0.00 C ATOM 1794 CG TYR A 118 -13.490 -6.057 1.834 1.00 0.00 C ATOM 1795 CD1 TYR A 118 -14.667 -6.030 2.571 1.00 0.00 C ATOM 1796 CD2 TYR A 118 -12.296 -6.275 2.511 1.00 0.00 C ATOM 1797 CE1 TYR A 118 -14.655 -6.215 3.941 1.00 0.00 C ATOM 1798 CE2 TYR A 118 -12.277 -6.461 3.880 1.00 0.00 C ATOM 1799 CZ TYR A 118 -13.458 -6.429 4.590 1.00 0.00 C ATOM 1800 OH TYR A 118 -13.443 -6.613 5.954 1.00 0.00 O ATOM 0 H TYR A 118 -11.930 -7.616 -0.450 1.00 0.00 H new ATOM 0 HA TYR A 118 -14.751 -7.592 0.110 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.506 -5.573 0.004 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -14.167 -5.022 0.096 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -15.607 -5.862 2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -11.368 -6.299 1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -15.579 -6.192 4.500 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -11.341 -6.631 4.391 1.00 0.00 H new ATOM 0 HH TYR A 118 -12.548 -6.414 6.301 1.00 0.00 H new