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 86 LYS NZ :NH3+ 142:sc= -0.476 (180deg=-3.08!) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.701 USER MOD Single : A 10 THR OG1 : rot 95:sc= 0.457 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 159:sc= 0.00361 USER MOD Single : A 18 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.17) USER MOD Single : A 25 THR OG1 : rot 0:sc= 0.284 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -157:sc= -0.0534 (180deg=-0.292) USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= -0.376 (180deg=-1.04) USER MOD Single : A 47 TYR OH : rot 144:sc= 0.812 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 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= -0.0867 (180deg=-0.412) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.499 X(o=-0.5,f=-0.081) USER MOD Single : A 80 GLN : amide:sc= -1.04 X(o=-1,f=-0.55) USER MOD Single : A 84 THR OG1 : rot -132:sc= -8.96! USER MOD Single : A 88 TYR OH : rot 180:sc= -0.967 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -2.17 X(o=-2.2,f=-2.1) USER MOD Single : A 99 TYR OH : rot -15:sc= -2.53! USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -169:sc= -0.149 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.137 K(o=-0.14,f=-0.72) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 9 -3.537 9.400 2.995 1.00 0.00 N ATOM 98 CA VAL A 9 -2.288 8.685 3.229 1.00 0.00 C ATOM 99 C VAL A 9 -2.223 8.136 4.650 1.00 0.00 C ATOM 100 O VAL A 9 -2.760 8.734 5.582 1.00 0.00 O ATOM 101 CB VAL A 9 -1.068 9.592 2.985 1.00 0.00 C ATOM 102 CG1 VAL A 9 -0.874 9.840 1.497 1.00 0.00 C ATOM 103 CG2 VAL A 9 -1.219 10.906 3.736 1.00 0.00 C ATOM 0 HA VAL A 9 -2.263 7.856 2.522 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.181 9.084 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.007 10.483 1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.715 8.890 0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.761 10.325 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.347 11.533 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.116 11.421 3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.303 10.707 4.804 1.00 0.00 H new ATOM 113 N THR A 10 -1.563 6.993 4.808 1.00 0.00 N ATOM 114 CA THR A 10 -1.427 6.361 6.115 1.00 0.00 C ATOM 115 C THR A 10 0.037 6.079 6.437 1.00 0.00 C ATOM 116 O THR A 10 0.825 5.746 5.551 1.00 0.00 O ATOM 117 CB THR A 10 -2.231 5.061 6.162 1.00 0.00 C ATOM 118 OG1 THR A 10 -3.541 5.263 5.663 1.00 0.00 O ATOM 119 CG2 THR A 10 -2.355 4.483 7.555 1.00 0.00 C ATOM 0 H THR A 10 -1.114 6.485 4.046 1.00 0.00 H new ATOM 0 HA THR A 10 -1.817 7.050 6.864 1.00 0.00 H new ATOM 0 HB THR A 10 -1.676 4.357 5.542 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.571 5.020 4.714 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.937 3.562 7.516 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.362 4.268 7.950 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.856 5.202 8.204 1.00 0.00 H new ATOM 127 N VAL A 11 0.394 6.216 7.710 1.00 0.00 N ATOM 128 CA VAL A 11 1.763 5.978 8.153 1.00 0.00 C ATOM 129 C VAL A 11 2.021 4.490 8.374 1.00 0.00 C ATOM 130 O VAL A 11 1.145 3.761 8.838 1.00 0.00 O ATOM 131 CB VAL A 11 2.073 6.738 9.456 1.00 0.00 C ATOM 132 CG1 VAL A 11 3.551 6.633 9.798 1.00 0.00 C ATOM 133 CG2 VAL A 11 1.647 8.193 9.339 1.00 0.00 C ATOM 0 H VAL A 11 -0.247 6.491 8.454 1.00 0.00 H new ATOM 0 HA VAL A 11 2.417 6.344 7.362 1.00 0.00 H new ATOM 0 HB VAL A 11 1.504 6.281 10.266 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.750 7.176 10.722 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.821 5.585 9.928 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.143 7.062 8.990 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.874 8.714 10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.186 8.665 8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.575 8.244 9.146 1.00 0.00 H new ATOM 143 N VAL A 12 3.229 4.049 8.039 1.00 0.00 N ATOM 144 CA VAL A 12 3.604 2.649 8.201 1.00 0.00 C ATOM 145 C VAL A 12 5.065 2.515 8.618 1.00 0.00 C ATOM 146 O VAL A 12 5.966 2.559 7.781 1.00 0.00 O ATOM 147 CB VAL A 12 3.382 1.853 6.901 1.00 0.00 C ATOM 148 CG1 VAL A 12 3.534 0.363 7.157 1.00 0.00 C ATOM 149 CG2 VAL A 12 2.016 2.164 6.309 1.00 0.00 C ATOM 0 H VAL A 12 3.965 4.641 7.654 1.00 0.00 H new ATOM 0 HA VAL A 12 2.965 2.241 8.984 1.00 0.00 H new ATOM 0 HB VAL A 12 4.140 2.154 6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.374 -0.184 6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.537 0.158 7.530 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.800 0.044 7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.878 1.592 5.391 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.239 1.894 7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.950 3.229 6.086 1.00 0.00 H new ATOM 159 N VAL A 13 5.293 2.348 9.917 1.00 0.00 N ATOM 160 CA VAL A 13 6.646 2.203 10.442 1.00 0.00 C ATOM 161 C VAL A 13 6.926 0.751 10.824 1.00 0.00 C ATOM 162 O VAL A 13 6.004 -0.048 10.970 1.00 0.00 O ATOM 163 CB VAL A 13 6.876 3.116 11.666 1.00 0.00 C ATOM 164 CG1 VAL A 13 5.931 2.750 12.799 1.00 0.00 C ATOM 165 CG2 VAL A 13 8.325 3.046 12.127 1.00 0.00 C ATOM 0 H VAL A 13 4.559 2.310 10.624 1.00 0.00 H new ATOM 0 HA VAL A 13 7.335 2.504 9.652 1.00 0.00 H new ATOM 0 HB VAL A 13 6.664 4.143 11.367 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.112 3.407 13.650 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.900 2.865 12.464 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.103 1.715 13.096 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.464 3.697 12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.570 2.020 12.403 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.980 3.371 11.319 1.00 0.00 H new ATOM 175 N ALA A 14 8.203 0.414 10.973 1.00 0.00 N ATOM 176 CA ALA A 14 8.608 -0.945 11.326 1.00 0.00 C ATOM 177 C ALA A 14 7.769 -1.518 12.469 1.00 0.00 C ATOM 178 O ALA A 14 7.482 -2.715 12.498 1.00 0.00 O ATOM 179 CB ALA A 14 10.082 -0.969 11.696 1.00 0.00 C ATOM 0 H ALA A 14 8.979 1.065 10.855 1.00 0.00 H new ATOM 0 HA ALA A 14 8.440 -1.574 10.452 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.375 -1.986 11.958 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.676 -0.627 10.848 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.254 -0.311 12.548 1.00 0.00 H new ATOM 185 N LYS A 15 7.393 -0.664 13.416 1.00 0.00 N ATOM 186 CA LYS A 15 6.603 -1.096 14.568 1.00 0.00 C ATOM 187 C LYS A 15 5.101 -1.075 14.279 1.00 0.00 C ATOM 188 O LYS A 15 4.303 -1.530 15.099 1.00 0.00 O ATOM 189 CB LYS A 15 6.909 -0.207 15.776 1.00 0.00 C ATOM 190 CG LYS A 15 8.010 -0.753 16.670 1.00 0.00 C ATOM 191 CD LYS A 15 7.910 -0.195 18.080 1.00 0.00 C ATOM 192 CE LYS A 15 9.242 -0.279 18.807 1.00 0.00 C ATOM 193 NZ LYS A 15 9.630 -1.687 19.095 1.00 0.00 N ATOM 0 H LYS A 15 7.621 0.330 13.410 1.00 0.00 H new ATOM 0 HA LYS A 15 6.883 -2.127 14.785 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.196 0.784 15.424 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.001 -0.085 16.366 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.948 -1.841 16.703 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.982 -0.502 16.246 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.581 0.843 18.039 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.154 -0.747 18.638 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.016 0.194 18.203 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.181 0.279 19.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.544 -1.701 19.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.905 -2.132 19.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.713 -2.214 18.202 1.00 0.00 H new ATOM 207 N ASN A 16 4.713 -0.539 13.126 1.00 0.00 N ATOM 208 CA ASN A 16 3.302 -0.460 12.762 1.00 0.00 C ATOM 209 C ASN A 16 2.971 -1.379 11.590 1.00 0.00 C ATOM 210 O ASN A 16 1.983 -2.112 11.624 1.00 0.00 O ATOM 211 CB ASN A 16 2.930 0.981 12.409 1.00 0.00 C ATOM 212 CG ASN A 16 1.612 1.406 13.026 1.00 0.00 C ATOM 213 OD1 ASN A 16 1.584 2.095 14.046 1.00 0.00 O ATOM 214 ND2 ASN A 16 0.510 0.995 12.409 1.00 0.00 N ATOM 0 H ASN A 16 5.352 -0.154 12.430 1.00 0.00 H new ATOM 0 HA ASN A 16 2.720 -0.788 13.623 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.720 1.651 12.749 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.870 1.083 11.325 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.406 1.249 12.778 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.580 0.425 11.566 1.00 0.00 H new ATOM 221 N TYR A 17 3.797 -1.326 10.548 1.00 0.00 N ATOM 222 CA TYR A 17 3.587 -2.145 9.356 1.00 0.00 C ATOM 223 C TYR A 17 3.251 -3.590 9.721 1.00 0.00 C ATOM 224 O TYR A 17 2.307 -4.163 9.195 1.00 0.00 O ATOM 225 CB TYR A 17 4.828 -2.094 8.453 1.00 0.00 C ATOM 226 CG TYR A 17 5.644 -3.371 8.441 1.00 0.00 C ATOM 227 CD1 TYR A 17 5.300 -4.428 7.607 1.00 0.00 C ATOM 228 CD2 TYR A 17 6.752 -3.519 9.264 1.00 0.00 C ATOM 229 CE1 TYR A 17 6.038 -5.597 7.594 1.00 0.00 C ATOM 230 CE2 TYR A 17 7.496 -4.684 9.257 1.00 0.00 C ATOM 231 CZ TYR A 17 7.135 -5.719 8.421 1.00 0.00 C ATOM 232 OH TYR A 17 7.873 -6.881 8.411 1.00 0.00 O ATOM 0 H TYR A 17 4.619 -0.724 10.505 1.00 0.00 H new ATOM 0 HA TYR A 17 2.735 -1.735 8.813 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.513 -1.869 7.434 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.466 -1.272 8.778 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.442 -4.335 6.958 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.038 -2.711 9.921 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.757 -6.410 6.940 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.356 -4.783 9.903 1.00 0.00 H new ATOM 0 HH TYR A 17 8.766 -6.704 8.773 1.00 0.00 H new ATOM 242 N ASN A 18 4.039 -4.175 10.612 1.00 0.00 N ATOM 243 CA ASN A 18 3.829 -5.558 11.031 1.00 0.00 C ATOM 244 C ASN A 18 2.381 -5.810 11.459 1.00 0.00 C ATOM 245 O ASN A 18 1.847 -6.901 11.257 1.00 0.00 O ATOM 246 CB ASN A 18 4.788 -5.913 12.175 1.00 0.00 C ATOM 247 CG ASN A 18 4.340 -5.368 13.521 1.00 0.00 C ATOM 248 OD1 ASN A 18 4.176 -6.119 14.482 1.00 0.00 O ATOM 249 ND2 ASN A 18 4.139 -4.056 13.597 1.00 0.00 N ATOM 0 H ASN A 18 4.831 -3.715 11.060 1.00 0.00 H new ATOM 0 HA ASN A 18 4.035 -6.198 10.173 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.879 -6.997 12.241 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.779 -5.523 11.944 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.837 -3.636 14.476 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.287 -3.469 12.776 1.00 0.00 H new ATOM 256 N GLU A 19 1.756 -4.804 12.061 1.00 0.00 N ATOM 257 CA GLU A 19 0.379 -4.932 12.532 1.00 0.00 C ATOM 258 C GLU A 19 -0.631 -4.842 11.388 1.00 0.00 C ATOM 259 O GLU A 19 -1.418 -5.764 11.172 1.00 0.00 O ATOM 260 CB GLU A 19 0.077 -3.852 13.572 1.00 0.00 C ATOM 261 CG GLU A 19 -1.140 -4.156 14.429 1.00 0.00 C ATOM 262 CD GLU A 19 -1.370 -3.114 15.506 1.00 0.00 C ATOM 263 OE1 GLU A 19 -0.376 -2.640 16.096 1.00 0.00 O ATOM 264 OE2 GLU A 19 -2.544 -2.771 15.759 1.00 0.00 O ATOM 0 H GLU A 19 2.179 -3.892 12.235 1.00 0.00 H new ATOM 0 HA GLU A 19 0.281 -5.919 12.984 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.945 -3.730 14.219 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.077 -2.901 13.062 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.023 -4.216 13.792 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.017 -5.134 14.895 1.00 0.00 H new ATOM 271 N ILE A 20 -0.621 -3.723 10.673 1.00 0.00 N ATOM 272 CA ILE A 20 -1.554 -3.508 9.568 1.00 0.00 C ATOM 273 C ILE A 20 -1.483 -4.628 8.530 1.00 0.00 C ATOM 274 O ILE A 20 -2.511 -5.138 8.083 1.00 0.00 O ATOM 275 CB ILE A 20 -1.297 -2.156 8.873 1.00 0.00 C ATOM 276 CG1 ILE A 20 0.147 -2.075 8.367 1.00 0.00 C ATOM 277 CG2 ILE A 20 -1.596 -1.009 9.829 1.00 0.00 C ATOM 278 CD1 ILE A 20 0.506 -0.730 7.773 1.00 0.00 C ATOM 0 H ILE A 20 0.022 -2.949 10.837 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.552 -3.505 10.006 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.962 -2.075 8.014 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.825 -2.291 9.193 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.304 -2.848 7.615 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.411 -0.059 9.327 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.639 -1.057 10.140 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.952 -1.088 10.705 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.542 -0.746 7.436 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.148 -0.520 6.926 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.382 0.046 8.528 1.00 0.00 H new ATOM 290 N VAL A 21 -0.270 -4.997 8.145 1.00 0.00 N ATOM 291 CA VAL A 21 -0.058 -6.045 7.153 1.00 0.00 C ATOM 292 C VAL A 21 -0.514 -7.408 7.668 1.00 0.00 C ATOM 293 O VAL A 21 -1.070 -8.209 6.918 1.00 0.00 O ATOM 294 CB VAL A 21 1.426 -6.125 6.738 1.00 0.00 C ATOM 295 CG1 VAL A 21 1.902 -4.781 6.204 1.00 0.00 C ATOM 296 CG2 VAL A 21 2.293 -6.578 7.904 1.00 0.00 C ATOM 0 H VAL A 21 0.589 -4.583 8.507 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.660 -5.782 6.283 1.00 0.00 H new ATOM 0 HB VAL A 21 1.518 -6.865 5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.951 -4.855 5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.306 -4.503 5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.791 -4.022 6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.334 -6.626 7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.197 -5.868 8.726 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.969 -7.564 8.237 1.00 0.00 H new ATOM 306 N LEU A 22 -0.274 -7.668 8.950 1.00 0.00 N ATOM 307 CA LEU A 22 -0.662 -8.938 9.554 1.00 0.00 C ATOM 308 C LEU A 22 -2.171 -9.004 9.793 1.00 0.00 C ATOM 309 O LEU A 22 -2.708 -10.063 10.117 1.00 0.00 O ATOM 310 CB LEU A 22 0.087 -9.148 10.871 1.00 0.00 C ATOM 311 CG LEU A 22 1.553 -9.561 10.723 1.00 0.00 C ATOM 312 CD1 LEU A 22 2.227 -9.634 12.084 1.00 0.00 C ATOM 313 CD2 LEU A 22 1.659 -10.896 10.001 1.00 0.00 C ATOM 0 H LEU A 22 0.186 -7.019 9.588 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.395 -9.734 8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.042 -8.225 11.448 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.433 -9.911 11.450 1.00 0.00 H new ATOM 0 HG LEU A 22 2.066 -8.806 10.127 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.269 -9.929 11.959 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.182 -8.657 12.565 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.714 -10.368 12.705 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.708 -11.175 9.904 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.131 -11.661 10.571 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.213 -10.810 9.010 1.00 0.00 H new ATOM 325 N ASP A 23 -2.851 -7.871 9.632 1.00 0.00 N ATOM 326 CA ASP A 23 -4.296 -7.811 9.832 1.00 0.00 C ATOM 327 C ASP A 23 -5.015 -8.798 8.918 1.00 0.00 C ATOM 328 O ASP A 23 -5.142 -8.569 7.716 1.00 0.00 O ATOM 329 CB ASP A 23 -4.809 -6.393 9.575 1.00 0.00 C ATOM 330 CG ASP A 23 -5.899 -5.987 10.547 1.00 0.00 C ATOM 331 OD1 ASP A 23 -6.988 -6.599 10.507 1.00 0.00 O ATOM 332 OD2 ASP A 23 -5.665 -5.059 11.348 1.00 0.00 O ATOM 0 H ASP A 23 -2.425 -6.984 9.364 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.505 -8.084 10.866 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.979 -5.690 9.650 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.191 -6.327 8.556 1.00 0.00 H new ATOM 337 N ASP A 24 -5.484 -9.897 9.499 1.00 0.00 N ATOM 338 CA ASP A 24 -6.193 -10.923 8.742 1.00 0.00 C ATOM 339 C ASP A 24 -7.644 -10.522 8.485 1.00 0.00 C ATOM 340 O ASP A 24 -8.333 -11.148 7.679 1.00 0.00 O ATOM 341 CB ASP A 24 -6.147 -12.257 9.489 1.00 0.00 C ATOM 342 CG ASP A 24 -6.646 -12.139 10.915 1.00 0.00 C ATOM 343 OD1 ASP A 24 -7.364 -11.162 11.214 1.00 0.00 O ATOM 344 OD2 ASP A 24 -6.320 -13.024 11.734 1.00 0.00 O ATOM 0 H ASP A 24 -5.386 -10.101 10.494 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.695 -11.031 7.779 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.752 -12.990 8.955 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.123 -12.632 9.495 1.00 0.00 H new ATOM 349 N THR A 25 -8.108 -9.482 9.174 1.00 0.00 N ATOM 350 CA THR A 25 -9.479 -9.011 9.014 1.00 0.00 C ATOM 351 C THR A 25 -9.519 -7.635 8.353 1.00 0.00 C ATOM 352 O THR A 25 -10.490 -6.894 8.505 1.00 0.00 O ATOM 353 CB THR A 25 -10.181 -8.956 10.371 1.00 0.00 C ATOM 354 OG1 THR A 25 -9.497 -8.085 11.254 1.00 0.00 O ATOM 355 CG2 THR A 25 -10.284 -10.307 11.047 1.00 0.00 C ATOM 0 H THR A 25 -7.555 -8.951 9.847 1.00 0.00 H new ATOM 0 HA THR A 25 -10.001 -9.716 8.366 1.00 0.00 H new ATOM 0 HB THR A 25 -11.188 -8.595 10.161 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.719 -7.701 10.798 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.792 -10.197 12.005 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.850 -10.989 10.412 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.284 -10.709 11.211 1.00 0.00 H new ATOM 363 N LYS A 26 -8.463 -7.298 7.619 1.00 0.00 N ATOM 364 CA LYS A 26 -8.388 -6.010 6.938 1.00 0.00 C ATOM 365 C LYS A 26 -7.247 -5.994 5.925 1.00 0.00 C ATOM 366 O LYS A 26 -6.115 -6.359 6.244 1.00 0.00 O ATOM 367 CB LYS A 26 -8.202 -4.882 7.956 1.00 0.00 C ATOM 368 CG LYS A 26 -9.483 -4.122 8.261 1.00 0.00 C ATOM 369 CD LYS A 26 -9.608 -3.810 9.744 1.00 0.00 C ATOM 370 CE LYS A 26 -11.037 -3.990 10.232 1.00 0.00 C ATOM 371 NZ LYS A 26 -11.259 -3.339 11.553 1.00 0.00 N ATOM 0 H LYS A 26 -7.649 -7.897 7.481 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.324 -5.855 6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.808 -5.301 8.882 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.455 -4.183 7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.501 -3.193 7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.342 -4.711 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.944 -4.462 10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.285 -2.786 9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.726 -3.570 9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.263 -5.054 10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.245 -3.485 11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.619 -3.757 12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.068 -2.320 11.474 1.00 0.00 H new ATOM 385 N ASP A 27 -7.552 -5.568 4.703 1.00 0.00 N ATOM 386 CA ASP A 27 -6.552 -5.503 3.644 1.00 0.00 C ATOM 387 C ASP A 27 -5.752 -4.208 3.732 1.00 0.00 C ATOM 388 O ASP A 27 -6.313 -3.133 3.941 1.00 0.00 O ATOM 389 CB ASP A 27 -7.222 -5.608 2.273 1.00 0.00 C ATOM 390 CG ASP A 27 -7.966 -6.916 2.091 1.00 0.00 C ATOM 391 OD1 ASP A 27 -8.683 -7.327 3.028 1.00 0.00 O ATOM 392 OD2 ASP A 27 -7.832 -7.531 1.012 1.00 0.00 O ATOM 0 H ASP A 27 -8.484 -5.263 4.422 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.869 -6.342 3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.917 -4.778 2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.466 -5.512 1.494 1.00 0.00 H new ATOM 397 N VAL A 28 -4.437 -4.319 3.571 1.00 0.00 N ATOM 398 CA VAL A 28 -3.560 -3.156 3.633 1.00 0.00 C ATOM 399 C VAL A 28 -2.562 -3.158 2.481 1.00 0.00 C ATOM 400 O VAL A 28 -2.116 -4.215 2.033 1.00 0.00 O ATOM 401 CB VAL A 28 -2.791 -3.104 4.966 1.00 0.00 C ATOM 402 CG1 VAL A 28 -2.032 -1.793 5.096 1.00 0.00 C ATOM 403 CG2 VAL A 28 -3.743 -3.295 6.137 1.00 0.00 C ATOM 0 H VAL A 28 -3.956 -5.202 3.397 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.197 -2.275 3.555 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.066 -3.918 4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.495 -1.776 6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.321 -1.701 4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.735 -0.961 5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.183 -3.256 7.071 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.492 -2.504 6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.237 -4.263 6.050 1.00 0.00 H new ATOM 413 N LEU A 29 -2.217 -1.966 2.002 1.00 0.00 N ATOM 414 CA LEU A 29 -1.274 -1.831 0.898 1.00 0.00 C ATOM 415 C LEU A 29 -0.139 -0.880 1.264 1.00 0.00 C ATOM 416 O LEU A 29 -0.333 0.333 1.339 1.00 0.00 O ATOM 417 CB LEU A 29 -1.989 -1.322 -0.358 1.00 0.00 C ATOM 418 CG LEU A 29 -3.430 -1.815 -0.537 1.00 0.00 C ATOM 419 CD1 LEU A 29 -4.371 -0.644 -0.774 1.00 0.00 C ATOM 420 CD2 LEU A 29 -3.517 -2.806 -1.688 1.00 0.00 C ATOM 0 H LEU A 29 -2.576 -1.081 2.361 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.853 -2.816 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.995 -0.232 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.409 -1.620 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.734 -2.322 0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.389 -1.014 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.333 0.032 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.067 -0.109 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.547 -3.145 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.192 -2.323 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.874 -3.662 -1.481 1.00 0.00 H new ATOM 432 N ILE A 30 1.048 -1.436 1.486 1.00 0.00 N ATOM 433 CA ILE A 30 2.213 -0.631 1.839 1.00 0.00 C ATOM 434 C ILE A 30 3.197 -0.559 0.678 1.00 0.00 C ATOM 435 O ILE A 30 3.762 -1.572 0.265 1.00 0.00 O ATOM 436 CB ILE A 30 2.934 -1.191 3.083 1.00 0.00 C ATOM 437 CG1 ILE A 30 4.098 -0.278 3.480 1.00 0.00 C ATOM 438 CG2 ILE A 30 3.425 -2.609 2.821 1.00 0.00 C ATOM 439 CD1 ILE A 30 4.939 -0.823 4.615 1.00 0.00 C ATOM 0 H ILE A 30 1.229 -2.438 1.428 1.00 0.00 H new ATOM 0 HA ILE A 30 1.849 0.371 2.067 1.00 0.00 H new ATOM 0 HB ILE A 30 2.226 -1.223 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.736 -0.119 2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.702 0.696 3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.931 -2.989 3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.576 -3.250 2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.120 -2.604 1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.743 -0.123 4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.315 -0.956 5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.365 -1.783 4.324 1.00 0.00 H new ATOM 451 N GLU A 31 3.395 0.645 0.155 1.00 0.00 N ATOM 452 CA GLU A 31 4.309 0.849 -0.962 1.00 0.00 C ATOM 453 C GLU A 31 5.543 1.636 -0.527 1.00 0.00 C ATOM 454 O GLU A 31 5.435 2.755 -0.026 1.00 0.00 O ATOM 455 CB GLU A 31 3.594 1.578 -2.100 1.00 0.00 C ATOM 456 CG GLU A 31 4.020 1.112 -3.483 1.00 0.00 C ATOM 457 CD GLU A 31 2.889 1.158 -4.491 1.00 0.00 C ATOM 458 OE1 GLU A 31 1.752 0.794 -4.124 1.00 0.00 O ATOM 459 OE2 GLU A 31 3.140 1.555 -5.648 1.00 0.00 O ATOM 0 H GLU A 31 2.936 1.494 0.486 1.00 0.00 H new ATOM 0 HA GLU A 31 4.638 -0.129 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.519 1.435 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.784 2.648 -2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.841 1.737 -3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.401 0.093 -3.417 1.00 0.00 H new ATOM 466 N PHE A 32 6.715 1.039 -0.725 1.00 0.00 N ATOM 467 CA PHE A 32 7.975 1.676 -0.359 1.00 0.00 C ATOM 468 C PHE A 32 8.506 2.533 -1.505 1.00 0.00 C ATOM 469 O PHE A 32 8.556 2.089 -2.652 1.00 0.00 O ATOM 470 CB PHE A 32 9.012 0.616 0.022 1.00 0.00 C ATOM 471 CG PHE A 32 8.852 0.095 1.422 1.00 0.00 C ATOM 472 CD1 PHE A 32 9.105 0.912 2.513 1.00 0.00 C ATOM 473 CD2 PHE A 32 8.448 -1.211 1.647 1.00 0.00 C ATOM 474 CE1 PHE A 32 8.956 0.435 3.801 1.00 0.00 C ATOM 475 CE2 PHE A 32 8.298 -1.693 2.933 1.00 0.00 C ATOM 476 CZ PHE A 32 8.552 -0.869 4.012 1.00 0.00 C ATOM 0 H PHE A 32 6.818 0.112 -1.138 1.00 0.00 H new ATOM 0 HA PHE A 32 7.791 2.323 0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.942 -0.217 -0.677 1.00 0.00 H new ATOM 0 HB3 PHE A 32 10.010 1.040 -0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.422 1.932 2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.248 -1.860 0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.155 1.082 4.643 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.982 -2.713 3.094 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.435 -1.243 5.018 1.00 0.00 H new ATOM 486 N TYR A 33 8.902 3.762 -1.187 1.00 0.00 N ATOM 487 CA TYR A 33 9.429 4.680 -2.191 1.00 0.00 C ATOM 488 C TYR A 33 10.374 5.698 -1.558 1.00 0.00 C ATOM 489 O TYR A 33 10.441 5.820 -0.336 1.00 0.00 O ATOM 490 CB TYR A 33 8.283 5.402 -2.904 1.00 0.00 C ATOM 491 CG TYR A 33 7.532 6.375 -2.020 1.00 0.00 C ATOM 492 CD1 TYR A 33 6.575 5.928 -1.119 1.00 0.00 C ATOM 493 CD2 TYR A 33 7.784 7.740 -2.088 1.00 0.00 C ATOM 494 CE1 TYR A 33 5.888 6.814 -0.310 1.00 0.00 C ATOM 495 CE2 TYR A 33 7.102 8.632 -1.283 1.00 0.00 C ATOM 496 CZ TYR A 33 6.155 8.164 -0.396 1.00 0.00 C ATOM 497 OH TYR A 33 5.474 9.050 0.408 1.00 0.00 O ATOM 0 H TYR A 33 8.868 4.145 -0.242 1.00 0.00 H new ATOM 0 HA TYR A 33 9.991 4.097 -2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.683 5.940 -3.763 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.583 4.661 -3.290 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.364 4.871 -1.049 1.00 0.00 H new ATOM 0 HD2 TYR A 33 8.525 8.110 -2.781 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.146 6.451 0.386 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.309 9.690 -1.348 1.00 0.00 H new ATOM 0 HH TYR A 33 5.782 9.962 0.224 1.00 0.00 H new ATOM 507 N ALA A 34 11.102 6.428 -2.397 1.00 0.00 N ATOM 508 CA ALA A 34 12.040 7.435 -1.914 1.00 0.00 C ATOM 509 C ALA A 34 11.999 8.688 -2.787 1.00 0.00 C ATOM 510 O ALA A 34 11.759 8.607 -3.992 1.00 0.00 O ATOM 511 CB ALA A 34 13.449 6.864 -1.866 1.00 0.00 C ATOM 0 H ALA A 34 11.061 6.341 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 34 11.743 7.720 -0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 34 14.138 7.627 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.471 6.006 -1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.748 6.550 -2.866 1.00 0.00 H new ATOM 517 N PRO A 35 12.232 9.869 -2.187 1.00 0.00 N ATOM 518 CA PRO A 35 12.218 11.143 -2.917 1.00 0.00 C ATOM 519 C PRO A 35 13.404 11.283 -3.866 1.00 0.00 C ATOM 520 O PRO A 35 13.246 11.695 -5.015 1.00 0.00 O ATOM 521 CB PRO A 35 12.297 12.191 -1.805 1.00 0.00 C ATOM 522 CG PRO A 35 12.966 11.492 -0.673 1.00 0.00 C ATOM 523 CD PRO A 35 12.525 10.057 -0.754 1.00 0.00 C ATOM 0 HA PRO A 35 11.336 11.239 -3.550 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.867 13.064 -2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.305 12.544 -1.522 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.050 11.572 -0.751 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.682 11.934 0.282 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.305 9.377 -0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 35 11.646 9.871 -0.137 1.00 0.00 H new ATOM 531 N TRP A 36 14.592 10.938 -3.378 1.00 0.00 N ATOM 532 CA TRP A 36 15.805 11.026 -4.185 1.00 0.00 C ATOM 533 C TRP A 36 15.881 9.888 -5.204 1.00 0.00 C ATOM 534 O TRP A 36 16.789 9.850 -6.034 1.00 0.00 O ATOM 535 CB TRP A 36 17.041 11.001 -3.285 1.00 0.00 C ATOM 536 CG TRP A 36 17.066 9.836 -2.343 1.00 0.00 C ATOM 537 CD1 TRP A 36 17.192 8.517 -2.674 1.00 0.00 C ATOM 538 CD2 TRP A 36 16.960 9.884 -0.916 1.00 0.00 C ATOM 539 NE1 TRP A 36 17.172 7.743 -1.539 1.00 0.00 N ATOM 540 CE2 TRP A 36 17.031 8.559 -0.447 1.00 0.00 C ATOM 541 CE3 TRP A 36 16.814 10.920 0.012 1.00 0.00 C ATOM 542 CZ2 TRP A 36 16.960 8.243 0.908 1.00 0.00 C ATOM 543 CZ3 TRP A 36 16.743 10.605 1.356 1.00 0.00 C ATOM 544 CH2 TRP A 36 16.817 9.276 1.793 1.00 0.00 C ATOM 0 H TRP A 36 14.741 10.595 -2.429 1.00 0.00 H new ATOM 0 HA TRP A 36 15.774 11.969 -4.731 1.00 0.00 H new ATOM 0 HB2 TRP A 36 17.935 10.974 -3.908 1.00 0.00 H new ATOM 0 HB3 TRP A 36 17.081 11.926 -2.709 1.00 0.00 H new ATOM 0 HD1 TRP A 36 17.293 8.138 -3.680 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.250 6.726 -1.513 1.00 0.00 H new ATOM 0 HE3 TRP A 36 16.758 11.948 -0.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 17.016 7.219 1.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 16.629 11.397 2.082 1.00 0.00 H new ATOM 0 HH2 TRP A 36 16.760 9.063 2.850 1.00 0.00 H new ATOM 555 N CYS A 37 14.925 8.962 -5.136 1.00 0.00 N ATOM 556 CA CYS A 37 14.888 7.826 -6.052 1.00 0.00 C ATOM 557 C CYS A 37 15.019 8.278 -7.504 1.00 0.00 C ATOM 558 O CYS A 37 15.815 7.729 -8.266 1.00 0.00 O ATOM 559 CB CYS A 37 13.580 7.049 -5.870 1.00 0.00 C ATOM 560 SG CYS A 37 13.349 5.684 -7.058 1.00 0.00 S ATOM 0 H CYS A 37 14.166 8.978 -4.455 1.00 0.00 H new ATOM 0 HA CYS A 37 15.734 7.180 -5.818 1.00 0.00 H new ATOM 0 HB2 CYS A 37 13.549 6.644 -4.858 1.00 0.00 H new ATOM 0 HB3 CYS A 37 12.743 7.742 -5.962 1.00 0.00 H new ATOM 565 N GLY A 38 14.221 9.268 -7.884 1.00 0.00 N ATOM 566 CA GLY A 38 14.249 9.762 -9.248 1.00 0.00 C ATOM 567 C GLY A 38 13.144 9.153 -10.086 1.00 0.00 C ATOM 568 O GLY A 38 12.568 9.814 -10.950 1.00 0.00 O ATOM 0 H GLY A 38 13.554 9.738 -7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.147 10.847 -9.244 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.215 9.534 -9.698 1.00 0.00 H new ATOM 572 N HIS A 39 12.843 7.887 -9.814 1.00 0.00 N ATOM 573 CA HIS A 39 11.793 7.171 -10.528 1.00 0.00 C ATOM 574 C HIS A 39 10.661 6.780 -9.577 1.00 0.00 C ATOM 575 O HIS A 39 9.644 6.230 -10.001 1.00 0.00 O ATOM 576 CB HIS A 39 12.364 5.920 -11.198 1.00 0.00 C ATOM 577 CG HIS A 39 11.763 5.632 -12.538 1.00 0.00 C ATOM 578 ND1 HIS A 39 12.063 6.360 -13.670 1.00 0.00 N ATOM 579 CD2 HIS A 39 10.873 4.687 -12.925 1.00 0.00 C ATOM 580 CE1 HIS A 39 11.383 5.876 -14.695 1.00 0.00 C ATOM 581 NE2 HIS A 39 10.655 4.860 -14.270 1.00 0.00 N ATOM 0 H HIS A 39 13.315 7.333 -9.099 1.00 0.00 H new ATOM 0 HA HIS A 39 11.391 7.834 -11.294 1.00 0.00 H new ATOM 0 HB2 HIS A 39 13.442 6.038 -11.310 1.00 0.00 H new ATOM 0 HB3 HIS A 39 12.203 5.062 -10.545 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.419 3.937 -12.294 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.417 6.248 -15.708 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.032 4.295 -14.847 1.00 0.00 H new ATOM 590 N CYS A 40 10.844 7.068 -8.289 1.00 0.00 N ATOM 591 CA CYS A 40 9.843 6.749 -7.279 1.00 0.00 C ATOM 592 C CYS A 40 9.067 7.995 -6.864 1.00 0.00 C ATOM 593 O CYS A 40 7.966 7.900 -6.322 1.00 0.00 O ATOM 594 CB CYS A 40 10.508 6.125 -6.051 1.00 0.00 C ATOM 595 SG CYS A 40 11.651 4.760 -6.435 1.00 0.00 S ATOM 0 H CYS A 40 11.680 7.523 -7.922 1.00 0.00 H new ATOM 0 HA CYS A 40 9.145 6.034 -7.714 1.00 0.00 H new ATOM 0 HB2 CYS A 40 11.053 6.901 -5.513 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.733 5.757 -5.379 1.00 0.00 H new ATOM 600 N LYS A 41 9.648 9.166 -7.120 1.00 0.00 N ATOM 601 CA LYS A 41 9.011 10.432 -6.771 1.00 0.00 C ATOM 602 C LYS A 41 7.566 10.476 -7.263 1.00 0.00 C ATOM 603 O LYS A 41 6.727 11.168 -6.687 1.00 0.00 O ATOM 604 CB LYS A 41 9.803 11.599 -7.363 1.00 0.00 C ATOM 605 CG LYS A 41 9.816 12.835 -6.479 1.00 0.00 C ATOM 606 CD LYS A 41 8.629 13.739 -6.768 1.00 0.00 C ATOM 607 CE LYS A 41 9.020 14.901 -7.668 1.00 0.00 C ATOM 608 NZ LYS A 41 9.928 15.857 -6.978 1.00 0.00 N ATOM 0 H LYS A 41 10.559 9.263 -7.568 1.00 0.00 H new ATOM 0 HA LYS A 41 9.002 10.519 -5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.830 11.278 -7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.379 11.860 -8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.799 12.535 -5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.742 13.387 -6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.837 13.160 -7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.226 14.123 -5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.509 14.518 -8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.122 15.425 -7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.865 16.788 -7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.648 15.943 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.906 15.509 -7.034 1.00 0.00 H new ATOM 622 N ALA A 42 7.282 9.731 -8.327 1.00 0.00 N ATOM 623 CA ALA A 42 5.938 9.683 -8.890 1.00 0.00 C ATOM 624 C ALA A 42 5.002 8.871 -7.999 1.00 0.00 C ATOM 625 O ALA A 42 3.795 9.111 -7.968 1.00 0.00 O ATOM 626 CB ALA A 42 5.974 9.098 -10.294 1.00 0.00 C ATOM 0 H ALA A 42 7.965 9.153 -8.816 1.00 0.00 H new ATOM 0 HA ALA A 42 5.555 10.702 -8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.964 9.068 -10.702 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.604 9.719 -10.931 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.380 8.087 -10.257 1.00 0.00 H new ATOM 632 N LEU A 43 5.567 7.911 -7.273 1.00 0.00 N ATOM 633 CA LEU A 43 4.784 7.066 -6.379 1.00 0.00 C ATOM 634 C LEU A 43 4.103 7.903 -5.298 1.00 0.00 C ATOM 635 O LEU A 43 3.051 7.529 -4.780 1.00 0.00 O ATOM 636 CB LEU A 43 5.683 6.005 -5.733 1.00 0.00 C ATOM 637 CG LEU A 43 5.198 4.561 -5.879 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.138 3.608 -5.157 1.00 0.00 C ATOM 639 CD2 LEU A 43 3.780 4.414 -5.349 1.00 0.00 C ATOM 0 H LEU A 43 6.565 7.699 -7.287 1.00 0.00 H new ATOM 0 HA LEU A 43 4.012 6.570 -6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.679 6.082 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.781 6.233 -4.672 1.00 0.00 H new ATOM 0 HG LEU A 43 5.195 4.307 -6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.778 2.586 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.138 3.690 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.173 3.864 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.455 3.380 -5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.755 4.689 -4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.112 5.068 -5.910 1.00 0.00 H new ATOM 651 N ALA A 44 4.712 9.036 -4.960 1.00 0.00 N ATOM 652 CA ALA A 44 4.168 9.925 -3.939 1.00 0.00 C ATOM 653 C ALA A 44 2.811 10.492 -4.355 1.00 0.00 C ATOM 654 O ALA A 44 1.800 10.237 -3.701 1.00 0.00 O ATOM 655 CB ALA A 44 5.147 11.053 -3.648 1.00 0.00 C ATOM 0 H ALA A 44 5.584 9.360 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 44 4.019 9.340 -3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.729 11.709 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.088 10.635 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.326 11.624 -4.559 1.00 0.00 H new ATOM 661 N PRO A 45 2.767 11.272 -5.451 1.00 0.00 N ATOM 662 CA PRO A 45 1.521 11.872 -5.940 1.00 0.00 C ATOM 663 C PRO A 45 0.470 10.821 -6.280 1.00 0.00 C ATOM 664 O PRO A 45 -0.714 11.001 -5.998 1.00 0.00 O ATOM 665 CB PRO A 45 1.947 12.635 -7.201 1.00 0.00 C ATOM 666 CG PRO A 45 3.272 12.065 -7.579 1.00 0.00 C ATOM 667 CD PRO A 45 3.918 11.632 -6.294 1.00 0.00 C ATOM 0 HA PRO A 45 1.057 12.509 -5.186 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.220 12.506 -8.003 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.020 13.705 -7.007 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.154 11.222 -8.260 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.884 12.807 -8.093 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.589 10.786 -6.444 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.509 12.433 -5.850 1.00 0.00 H new ATOM 675 N LYS A 46 0.910 9.722 -6.883 1.00 0.00 N ATOM 676 CA LYS A 46 0.004 8.643 -7.254 1.00 0.00 C ATOM 677 C LYS A 46 -0.686 8.069 -6.020 1.00 0.00 C ATOM 678 O LYS A 46 -1.810 7.572 -6.098 1.00 0.00 O ATOM 679 CB LYS A 46 0.767 7.539 -7.991 1.00 0.00 C ATOM 680 CG LYS A 46 0.557 7.555 -9.497 1.00 0.00 C ATOM 681 CD LYS A 46 0.911 8.908 -10.095 1.00 0.00 C ATOM 682 CE LYS A 46 -0.331 9.746 -10.356 1.00 0.00 C ATOM 683 NZ LYS A 46 -0.279 11.052 -9.643 1.00 0.00 N ATOM 0 H LYS A 46 1.887 9.556 -7.125 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.758 9.050 -7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.831 7.641 -7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.456 6.570 -7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.169 6.780 -9.959 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.482 7.317 -9.723 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.576 9.443 -9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.456 8.763 -11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.433 9.921 -11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.215 9.194 -10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.903 11.733 -10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.595 10.924 -8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.697 11.412 -9.649 1.00 0.00 H new ATOM 697 N TYR A 47 -0.005 8.145 -4.880 1.00 0.00 N ATOM 698 CA TYR A 47 -0.551 7.636 -3.628 1.00 0.00 C ATOM 699 C TYR A 47 -1.501 8.649 -2.994 1.00 0.00 C ATOM 700 O TYR A 47 -2.385 8.283 -2.220 1.00 0.00 O ATOM 701 CB TYR A 47 0.580 7.298 -2.655 1.00 0.00 C ATOM 702 CG TYR A 47 0.563 5.861 -2.187 1.00 0.00 C ATOM 703 CD1 TYR A 47 1.171 4.861 -2.933 1.00 0.00 C ATOM 704 CD2 TYR A 47 -0.064 5.505 -1.000 1.00 0.00 C ATOM 705 CE1 TYR A 47 1.157 3.546 -2.510 1.00 0.00 C ATOM 706 CE2 TYR A 47 -0.082 4.193 -0.569 1.00 0.00 C ATOM 707 CZ TYR A 47 0.529 3.217 -1.327 1.00 0.00 C ATOM 708 OH TYR A 47 0.513 1.908 -0.902 1.00 0.00 O ATOM 0 H TYR A 47 0.926 8.554 -4.799 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.114 6.729 -3.848 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.536 7.504 -3.136 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.511 7.955 -1.788 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.663 5.115 -3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.545 6.266 -0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.635 2.780 -3.102 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.572 3.933 0.357 1.00 0.00 H new ATOM 0 HH TYR A 47 0.588 1.880 0.075 1.00 0.00 H new ATOM 718 N GLU A 48 -1.312 9.922 -3.326 1.00 0.00 N ATOM 719 CA GLU A 48 -2.155 10.983 -2.787 1.00 0.00 C ATOM 720 C GLU A 48 -3.522 10.986 -3.464 1.00 0.00 C ATOM 721 O GLU A 48 -4.538 11.283 -2.835 1.00 0.00 O ATOM 722 CB GLU A 48 -1.479 12.343 -2.970 1.00 0.00 C ATOM 723 CG GLU A 48 -1.781 13.327 -1.851 1.00 0.00 C ATOM 724 CD GLU A 48 -0.538 13.748 -1.090 1.00 0.00 C ATOM 725 OE1 GLU A 48 -0.033 12.938 -0.284 1.00 0.00 O ATOM 726 OE2 GLU A 48 -0.071 14.887 -1.300 1.00 0.00 O ATOM 0 H GLU A 48 -0.584 10.243 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.296 10.796 -1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.401 12.198 -3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.799 12.774 -3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.262 14.211 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.491 12.876 -1.158 1.00 0.00 H new ATOM 733 N GLU A 49 -3.539 10.654 -4.751 1.00 0.00 N ATOM 734 CA GLU A 49 -4.781 10.618 -5.515 1.00 0.00 C ATOM 735 C GLU A 49 -5.589 9.367 -5.184 1.00 0.00 C ATOM 736 O GLU A 49 -6.705 9.455 -4.673 1.00 0.00 O ATOM 737 CB GLU A 49 -4.483 10.666 -7.015 1.00 0.00 C ATOM 738 CG GLU A 49 -5.496 11.472 -7.811 1.00 0.00 C ATOM 739 CD GLU A 49 -5.375 11.248 -9.306 1.00 0.00 C ATOM 740 OE1 GLU A 49 -4.232 11.152 -9.801 1.00 0.00 O ATOM 741 OE2 GLU A 49 -6.422 11.168 -9.981 1.00 0.00 O ATOM 0 H GLU A 49 -2.707 10.406 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.372 11.492 -5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.492 11.093 -7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.455 9.648 -7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.502 11.205 -7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.362 12.532 -7.594 1.00 0.00 H new ATOM 748 N LEU A 50 -5.017 8.204 -5.478 1.00 0.00 N ATOM 749 CA LEU A 50 -5.685 6.935 -5.209 1.00 0.00 C ATOM 750 C LEU A 50 -5.989 6.785 -3.721 1.00 0.00 C ATOM 751 O LEU A 50 -6.954 6.124 -3.338 1.00 0.00 O ATOM 752 CB LEU A 50 -4.819 5.767 -5.692 1.00 0.00 C ATOM 753 CG LEU A 50 -5.294 4.378 -5.260 1.00 0.00 C ATOM 754 CD1 LEU A 50 -6.710 4.122 -5.752 1.00 0.00 C ATOM 755 CD2 LEU A 50 -4.346 3.307 -5.777 1.00 0.00 C ATOM 0 H LEU A 50 -4.094 8.114 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.629 6.925 -5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.774 5.795 -6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.802 5.915 -5.327 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.297 4.337 -4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.031 3.130 -5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.382 4.871 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.733 4.181 -6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.699 2.325 -5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.311 3.347 -6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.348 3.480 -5.376 1.00 0.00 H new ATOM 767 N GLY A 51 -5.158 7.403 -2.888 1.00 0.00 N ATOM 768 CA GLY A 51 -5.354 7.326 -1.452 1.00 0.00 C ATOM 769 C GLY A 51 -6.604 8.053 -0.997 1.00 0.00 C ATOM 770 O GLY A 51 -7.382 7.524 -0.204 1.00 0.00 O ATOM 0 H GLY A 51 -4.353 7.956 -3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.417 6.280 -1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.486 7.751 -0.947 1.00 0.00 H new ATOM 774 N ALA A 52 -6.797 9.268 -1.499 1.00 0.00 N ATOM 775 CA ALA A 52 -7.961 10.068 -1.138 1.00 0.00 C ATOM 776 C ALA A 52 -9.239 9.481 -1.730 1.00 0.00 C ATOM 777 O ALA A 52 -10.323 9.637 -1.169 1.00 0.00 O ATOM 778 CB ALA A 52 -7.776 11.506 -1.600 1.00 0.00 C ATOM 0 H ALA A 52 -6.162 9.720 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.056 10.055 -0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.652 12.092 -1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.891 11.930 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.651 11.527 -2.683 1.00 0.00 H new ATOM 784 N LEU A 53 -9.104 8.808 -2.868 1.00 0.00 N ATOM 785 CA LEU A 53 -10.249 8.200 -3.537 1.00 0.00 C ATOM 786 C LEU A 53 -10.665 6.906 -2.842 1.00 0.00 C ATOM 787 O LEU A 53 -11.782 6.792 -2.338 1.00 0.00 O ATOM 788 CB LEU A 53 -9.917 7.923 -5.006 1.00 0.00 C ATOM 789 CG LEU A 53 -10.492 8.933 -6.000 1.00 0.00 C ATOM 790 CD1 LEU A 53 -12.011 8.950 -5.924 1.00 0.00 C ATOM 791 CD2 LEU A 53 -9.927 10.320 -5.736 1.00 0.00 C ATOM 0 H LEU A 53 -8.214 8.670 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.083 8.900 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.833 7.900 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.286 6.931 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.203 8.630 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.403 9.674 -6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.398 7.959 -6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.322 9.229 -4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.347 11.026 -6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.186 10.632 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.842 10.297 -5.842 1.00 0.00 H new ATOM 803 N TYR A 54 -9.759 5.933 -2.822 1.00 0.00 N ATOM 804 CA TYR A 54 -10.032 4.646 -2.193 1.00 0.00 C ATOM 805 C TYR A 54 -10.407 4.821 -0.723 1.00 0.00 C ATOM 806 O TYR A 54 -11.160 4.023 -0.166 1.00 0.00 O ATOM 807 CB TYR A 54 -8.815 3.726 -2.320 1.00 0.00 C ATOM 808 CG TYR A 54 -9.127 2.398 -2.973 1.00 0.00 C ATOM 809 CD1 TYR A 54 -9.760 2.343 -4.208 1.00 0.00 C ATOM 810 CD2 TYR A 54 -8.787 1.201 -2.355 1.00 0.00 C ATOM 811 CE1 TYR A 54 -10.047 1.131 -4.809 1.00 0.00 C ATOM 812 CE2 TYR A 54 -9.070 -0.014 -2.950 1.00 0.00 C ATOM 813 CZ TYR A 54 -9.699 -0.043 -4.176 1.00 0.00 C ATOM 814 OH TYR A 54 -9.982 -1.251 -4.772 1.00 0.00 O ATOM 0 H TYR A 54 -8.829 6.012 -3.234 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.878 4.191 -2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.044 4.234 -2.899 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.401 3.546 -1.328 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.032 3.261 -4.707 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.294 1.220 -1.394 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.541 1.104 -5.769 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -8.800 -0.936 -2.457 1.00 0.00 H new ATOM 0 HH TYR A 54 -9.671 -1.981 -4.196 1.00 0.00 H new ATOM 824 N ALA A 55 -9.877 5.869 -0.101 1.00 0.00 N ATOM 825 CA ALA A 55 -10.157 6.146 1.303 1.00 0.00 C ATOM 826 C ALA A 55 -11.536 6.774 1.476 1.00 0.00 C ATOM 827 O ALA A 55 -12.161 6.641 2.529 1.00 0.00 O ATOM 828 CB ALA A 55 -9.085 7.055 1.884 1.00 0.00 C ATOM 0 H ALA A 55 -9.252 6.540 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.149 5.199 1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.306 7.254 2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.113 6.568 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.067 7.995 1.332 1.00 0.00 H new ATOM 834 N LYS A 56 -12.007 7.460 0.439 1.00 0.00 N ATOM 835 CA LYS A 56 -13.312 8.108 0.479 1.00 0.00 C ATOM 836 C LYS A 56 -14.382 7.226 -0.158 1.00 0.00 C ATOM 837 O LYS A 56 -15.278 7.717 -0.844 1.00 0.00 O ATOM 838 CB LYS A 56 -13.256 9.458 -0.238 1.00 0.00 C ATOM 839 CG LYS A 56 -14.310 10.445 0.237 1.00 0.00 C ATOM 840 CD LYS A 56 -14.166 11.790 -0.456 1.00 0.00 C ATOM 841 CE LYS A 56 -14.840 12.899 0.335 1.00 0.00 C ATOM 842 NZ LYS A 56 -16.195 13.216 -0.196 1.00 0.00 N ATOM 0 H LYS A 56 -11.503 7.581 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.576 8.268 1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.269 9.896 -0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.378 9.296 -1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.303 10.039 0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.225 10.579 1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.109 12.023 -0.584 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.603 11.735 -1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.920 12.602 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.220 13.795 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.621 13.977 0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.116 13.524 -1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.795 12.368 -0.144 1.00 0.00 H new ATOM 856 N SER A 57 -14.281 5.921 0.074 1.00 0.00 N ATOM 857 CA SER A 57 -15.240 4.971 -0.478 1.00 0.00 C ATOM 858 C SER A 57 -15.814 4.078 0.618 1.00 0.00 C ATOM 859 O SER A 57 -15.512 4.254 1.798 1.00 0.00 O ATOM 860 CB SER A 57 -14.577 4.112 -1.556 1.00 0.00 C ATOM 861 OG SER A 57 -14.751 4.682 -2.841 1.00 0.00 O ATOM 0 H SER A 57 -13.545 5.498 0.640 1.00 0.00 H new ATOM 0 HA SER A 57 -16.057 5.537 -0.926 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.513 4.010 -1.341 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.003 3.109 -1.539 1.00 0.00 H new ATOM 0 HG SER A 57 -14.317 4.115 -3.512 1.00 0.00 H new ATOM 867 N GLU A 58 -16.643 3.119 0.218 1.00 0.00 N ATOM 868 CA GLU A 58 -17.261 2.197 1.165 1.00 0.00 C ATOM 869 C GLU A 58 -16.289 1.096 1.588 1.00 0.00 C ATOM 870 O GLU A 58 -16.614 0.265 2.436 1.00 0.00 O ATOM 871 CB GLU A 58 -18.517 1.574 0.554 1.00 0.00 C ATOM 872 CG GLU A 58 -18.249 0.799 -0.727 1.00 0.00 C ATOM 873 CD GLU A 58 -19.336 0.997 -1.766 1.00 0.00 C ATOM 874 OE1 GLU A 58 -20.460 1.384 -1.383 1.00 0.00 O ATOM 875 OE2 GLU A 58 -19.063 0.764 -2.962 1.00 0.00 O ATOM 0 H GLU A 58 -16.902 2.960 -0.756 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.535 2.767 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.974 0.906 1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -19.240 2.363 0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -17.292 1.113 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -18.163 -0.262 -0.494 1.00 0.00 H new ATOM 882 N PHE A 59 -15.097 1.090 0.994 1.00 0.00 N ATOM 883 CA PHE A 59 -14.090 0.086 1.317 1.00 0.00 C ATOM 884 C PHE A 59 -13.095 0.622 2.342 1.00 0.00 C ATOM 885 O PHE A 59 -11.898 0.344 2.265 1.00 0.00 O ATOM 886 CB PHE A 59 -13.350 -0.351 0.051 1.00 0.00 C ATOM 887 CG PHE A 59 -14.260 -0.623 -1.113 1.00 0.00 C ATOM 888 CD1 PHE A 59 -14.995 -1.796 -1.175 1.00 0.00 C ATOM 889 CD2 PHE A 59 -14.379 0.294 -2.144 1.00 0.00 C ATOM 890 CE1 PHE A 59 -15.833 -2.048 -2.244 1.00 0.00 C ATOM 891 CE2 PHE A 59 -15.215 0.047 -3.216 1.00 0.00 C ATOM 892 CZ PHE A 59 -15.943 -1.126 -3.267 1.00 0.00 C ATOM 0 H PHE A 59 -14.807 1.768 0.289 1.00 0.00 H new ATOM 0 HA PHE A 59 -14.599 -0.776 1.748 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.637 0.424 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -12.774 -1.250 0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -14.912 -2.521 -0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.812 1.213 -2.110 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -16.402 -2.965 -2.280 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -15.299 0.770 -4.013 1.00 0.00 H new ATOM 0 HZ PHE A 59 -16.596 -1.322 -4.104 1.00 0.00 H new ATOM 902 N LYS A 60 -13.598 1.393 3.301 1.00 0.00 N ATOM 903 CA LYS A 60 -12.754 1.968 4.342 1.00 0.00 C ATOM 904 C LYS A 60 -12.304 0.898 5.332 1.00 0.00 C ATOM 905 O LYS A 60 -11.144 0.866 5.742 1.00 0.00 O ATOM 906 CB LYS A 60 -13.503 3.081 5.078 1.00 0.00 C ATOM 907 CG LYS A 60 -12.691 3.733 6.186 1.00 0.00 C ATOM 908 CD LYS A 60 -13.438 4.900 6.811 1.00 0.00 C ATOM 909 CE LYS A 60 -12.639 5.532 7.939 1.00 0.00 C ATOM 910 NZ LYS A 60 -12.278 4.538 8.987 1.00 0.00 N ATOM 0 H LYS A 60 -14.586 1.634 3.379 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.869 2.390 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.800 3.845 4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.419 2.671 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.461 2.994 6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.740 4.082 5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.648 5.650 6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.399 4.556 7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.731 5.979 7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.219 6.338 8.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.981 5.036 9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.103 3.941 9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.497 3.942 8.646 1.00 0.00 H new ATOM 924 N ASP A 61 -13.231 0.025 5.713 1.00 0.00 N ATOM 925 CA ASP A 61 -12.929 -1.046 6.656 1.00 0.00 C ATOM 926 C ASP A 61 -12.548 -2.335 5.929 1.00 0.00 C ATOM 927 O ASP A 61 -12.548 -3.413 6.522 1.00 0.00 O ATOM 928 CB ASP A 61 -14.130 -1.300 7.569 1.00 0.00 C ATOM 929 CG ASP A 61 -13.727 -1.908 8.898 1.00 0.00 C ATOM 930 OD1 ASP A 61 -12.664 -1.523 9.429 1.00 0.00 O ATOM 931 OD2 ASP A 61 -14.474 -2.769 9.408 1.00 0.00 O ATOM 0 H ASP A 61 -14.196 0.038 5.384 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.077 -0.730 7.259 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.653 -0.360 7.746 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.831 -1.966 7.066 1.00 0.00 H new ATOM 936 N ARG A 62 -12.224 -2.219 4.643 1.00 0.00 N ATOM 937 CA ARG A 62 -11.842 -3.378 3.845 1.00 0.00 C ATOM 938 C ARG A 62 -10.434 -3.209 3.283 1.00 0.00 C ATOM 939 O ARG A 62 -9.563 -4.051 3.500 1.00 0.00 O ATOM 940 CB ARG A 62 -12.838 -3.586 2.702 1.00 0.00 C ATOM 941 CG ARG A 62 -14.281 -3.693 3.166 1.00 0.00 C ATOM 942 CD ARG A 62 -15.251 -3.564 2.002 1.00 0.00 C ATOM 943 NE ARG A 62 -16.452 -4.373 2.199 1.00 0.00 N ATOM 944 CZ ARG A 62 -17.542 -4.277 1.442 1.00 0.00 C ATOM 945 NH1 ARG A 62 -17.587 -3.410 0.438 1.00 0.00 N ATOM 946 NH2 ARG A 62 -18.590 -5.050 1.689 1.00 0.00 N ATOM 0 H ARG A 62 -12.219 -1.335 4.134 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.854 -4.255 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.751 -2.757 2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.571 -4.493 2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -14.434 -4.650 3.664 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -14.487 -2.915 3.901 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -15.534 -2.518 1.880 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -14.755 -3.870 1.081 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.455 -5.051 2.961 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -16.783 -2.813 0.243 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -18.425 -3.341 -0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -18.561 -5.718 2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -19.426 -4.977 1.109 1.00 0.00 H new ATOM 960 N VAL A 63 -10.218 -2.114 2.562 1.00 0.00 N ATOM 961 CA VAL A 63 -8.917 -1.830 1.969 1.00 0.00 C ATOM 962 C VAL A 63 -8.456 -0.418 2.319 1.00 0.00 C ATOM 963 O VAL A 63 -9.218 0.541 2.200 1.00 0.00 O ATOM 964 CB VAL A 63 -8.953 -1.990 0.436 1.00 0.00 C ATOM 965 CG1 VAL A 63 -9.962 -1.033 -0.179 1.00 0.00 C ATOM 966 CG2 VAL A 63 -7.569 -1.775 -0.160 1.00 0.00 C ATOM 0 H VAL A 63 -10.929 -1.407 2.374 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.211 -2.551 2.381 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.266 -3.008 0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.972 -1.161 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.954 -1.244 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.684 -0.007 0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.617 -1.892 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.221 -0.771 0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.877 -2.508 0.254 1.00 0.00 H new ATOM 976 N VAL A 64 -7.205 -0.298 2.755 1.00 0.00 N ATOM 977 CA VAL A 64 -6.649 0.998 3.125 1.00 0.00 C ATOM 978 C VAL A 64 -5.327 1.261 2.409 1.00 0.00 C ATOM 979 O VAL A 64 -4.467 0.383 2.323 1.00 0.00 O ATOM 980 CB VAL A 64 -6.428 1.097 4.648 1.00 0.00 C ATOM 981 CG1 VAL A 64 -5.418 0.059 5.115 1.00 0.00 C ATOM 982 CG2 VAL A 64 -5.982 2.500 5.036 1.00 0.00 C ATOM 0 H VAL A 64 -6.559 -1.081 2.860 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.375 1.752 2.819 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.377 0.893 5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.277 0.147 6.192 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.786 -0.939 4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.466 0.225 4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.832 2.549 6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.047 2.738 4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.747 3.219 4.744 1.00 0.00 H new ATOM 992 N ILE A 65 -5.172 2.480 1.901 1.00 0.00 N ATOM 993 CA ILE A 65 -3.956 2.869 1.196 1.00 0.00 C ATOM 994 C ILE A 65 -2.925 3.437 2.166 1.00 0.00 C ATOM 995 O ILE A 65 -3.162 4.461 2.808 1.00 0.00 O ATOM 996 CB ILE A 65 -4.250 3.917 0.103 1.00 0.00 C ATOM 997 CG1 ILE A 65 -5.501 3.531 -0.689 1.00 0.00 C ATOM 998 CG2 ILE A 65 -3.053 4.066 -0.825 1.00 0.00 C ATOM 999 CD1 ILE A 65 -5.334 2.271 -1.510 1.00 0.00 C ATOM 0 H ILE A 65 -5.875 3.216 1.965 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.557 1.970 0.726 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.434 4.877 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.332 3.396 0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.769 4.354 -1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.276 4.809 -1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.185 4.387 -0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.839 3.108 -1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.260 2.059 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.525 2.409 -2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.096 1.436 -0.851 1.00 0.00 H new ATOM 1011 N ALA A 66 -1.784 2.764 2.275 1.00 0.00 N ATOM 1012 CA ALA A 66 -0.723 3.202 3.176 1.00 0.00 C ATOM 1013 C ALA A 66 0.611 3.334 2.447 1.00 0.00 C ATOM 1014 O ALA A 66 1.038 2.423 1.734 1.00 0.00 O ATOM 1015 CB ALA A 66 -0.593 2.236 4.343 1.00 0.00 C ATOM 0 H ALA A 66 -1.570 1.915 1.752 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.993 4.187 3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.202 2.574 5.008 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.534 2.199 4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.353 1.241 3.967 1.00 0.00 H new ATOM 1021 N LYS A 67 1.268 4.474 2.636 1.00 0.00 N ATOM 1022 CA LYS A 67 2.556 4.728 2.003 1.00 0.00 C ATOM 1023 C LYS A 67 3.669 4.772 3.048 1.00 0.00 C ATOM 1024 O LYS A 67 3.410 4.957 4.237 1.00 0.00 O ATOM 1025 CB LYS A 67 2.511 6.041 1.207 1.00 0.00 C ATOM 1026 CG LYS A 67 2.859 7.281 2.020 1.00 0.00 C ATOM 1027 CD LYS A 67 1.904 7.473 3.187 1.00 0.00 C ATOM 1028 CE LYS A 67 2.201 8.759 3.942 1.00 0.00 C ATOM 1029 NZ LYS A 67 1.675 8.720 5.334 1.00 0.00 N ATOM 0 H LYS A 67 0.929 5.236 3.223 1.00 0.00 H new ATOM 0 HA LYS A 67 2.768 3.912 1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.202 5.966 0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.512 6.164 0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.879 7.196 2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.828 8.160 1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.878 7.494 2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.982 6.624 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.278 8.926 3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.759 9.602 3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.898 9.615 5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.644 8.587 5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.115 7.931 5.849 1.00 0.00 H new ATOM 1043 N VAL A 68 4.906 4.599 2.598 1.00 0.00 N ATOM 1044 CA VAL A 68 6.052 4.619 3.497 1.00 0.00 C ATOM 1045 C VAL A 68 7.360 4.691 2.719 1.00 0.00 C ATOM 1046 O VAL A 68 7.457 4.188 1.601 1.00 0.00 O ATOM 1047 CB VAL A 68 6.071 3.373 4.406 1.00 0.00 C ATOM 1048 CG1 VAL A 68 6.159 2.103 3.573 1.00 0.00 C ATOM 1049 CG2 VAL A 68 7.222 3.448 5.399 1.00 0.00 C ATOM 0 H VAL A 68 5.140 4.444 1.618 1.00 0.00 H new ATOM 0 HA VAL A 68 5.955 5.510 4.117 1.00 0.00 H new ATOM 0 HB VAL A 68 5.138 3.347 4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.171 1.235 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.296 2.042 2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.073 2.120 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.217 2.559 6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.167 3.503 4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.108 4.336 6.021 1.00 0.00 H new ATOM 1059 N ASP A 69 8.367 5.315 3.320 1.00 0.00 N ATOM 1060 CA ASP A 69 9.670 5.443 2.684 1.00 0.00 C ATOM 1061 C ASP A 69 10.441 4.131 2.779 1.00 0.00 C ATOM 1062 O ASP A 69 10.327 3.407 3.768 1.00 0.00 O ATOM 1063 CB ASP A 69 10.472 6.571 3.335 1.00 0.00 C ATOM 1064 CG ASP A 69 11.279 7.364 2.326 1.00 0.00 C ATOM 1065 OD1 ASP A 69 10.665 8.010 1.451 1.00 0.00 O ATOM 1066 OD2 ASP A 69 12.525 7.339 2.411 1.00 0.00 O ATOM 0 H ASP A 69 8.305 5.739 4.246 1.00 0.00 H new ATOM 0 HA ASP A 69 9.517 5.683 1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.791 7.242 3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.144 6.150 4.083 1.00 0.00 H new ATOM 1071 N ALA A 70 11.223 3.827 1.749 1.00 0.00 N ATOM 1072 CA ALA A 70 12.008 2.597 1.724 1.00 0.00 C ATOM 1073 C ALA A 70 13.278 2.735 2.559 1.00 0.00 C ATOM 1074 O ALA A 70 14.379 2.448 2.087 1.00 0.00 O ATOM 1075 CB ALA A 70 12.351 2.220 0.290 1.00 0.00 C ATOM 0 H ALA A 70 11.331 4.414 0.922 1.00 0.00 H new ATOM 0 HA ALA A 70 11.405 1.802 2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.937 1.301 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.432 2.067 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.930 3.021 -0.168 1.00 0.00 H new ATOM 1081 N THR A 71 13.118 3.174 3.803 1.00 0.00 N ATOM 1082 CA THR A 71 14.249 3.349 4.706 1.00 0.00 C ATOM 1083 C THR A 71 13.913 2.841 6.108 1.00 0.00 C ATOM 1084 O THR A 71 14.614 3.149 7.072 1.00 0.00 O ATOM 1085 CB THR A 71 14.655 4.825 4.767 1.00 0.00 C ATOM 1086 OG1 THR A 71 13.850 5.529 5.696 1.00 0.00 O ATOM 1087 CG2 THR A 71 14.542 5.534 3.434 1.00 0.00 C ATOM 0 H THR A 71 12.214 3.415 4.209 1.00 0.00 H new ATOM 0 HA THR A 71 15.084 2.765 4.320 1.00 0.00 H new ATOM 0 HB THR A 71 15.702 4.823 5.072 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.126 6.469 5.722 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.844 6.575 3.549 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.190 5.046 2.706 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.510 5.492 3.086 1.00 0.00 H new ATOM 1095 N ALA A 72 12.835 2.067 6.216 1.00 0.00 N ATOM 1096 CA ALA A 72 12.406 1.526 7.501 1.00 0.00 C ATOM 1097 C ALA A 72 13.323 0.399 7.962 1.00 0.00 C ATOM 1098 O ALA A 72 14.309 0.075 7.300 1.00 0.00 O ATOM 1099 CB ALA A 72 10.969 1.036 7.412 1.00 0.00 C ATOM 0 H ALA A 72 12.244 1.801 5.429 1.00 0.00 H new ATOM 0 HA ALA A 72 12.463 2.326 8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.661 0.635 8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.318 1.866 7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 72 10.897 0.255 6.655 1.00 0.00 H new ATOM 1105 N ASN A 73 12.989 -0.194 9.104 1.00 0.00 N ATOM 1106 CA ASN A 73 13.779 -1.286 9.661 1.00 0.00 C ATOM 1107 C ASN A 73 12.898 -2.494 9.963 1.00 0.00 C ATOM 1108 O ASN A 73 11.672 -2.389 9.989 1.00 0.00 O ATOM 1109 CB ASN A 73 14.491 -0.830 10.937 1.00 0.00 C ATOM 1110 CG ASN A 73 15.086 0.560 10.807 1.00 0.00 C ATOM 1111 OD1 ASN A 73 16.290 0.716 10.601 1.00 0.00 O ATOM 1112 ND2 ASN A 73 14.242 1.578 10.929 1.00 0.00 N ATOM 0 H ASN A 73 12.175 0.064 9.662 1.00 0.00 H new ATOM 0 HA ASN A 73 14.524 -1.576 8.921 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.785 -0.843 11.767 1.00 0.00 H new ATOM 0 HB3 ASN A 73 15.282 -1.539 11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 73 14.584 2.536 10.852 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.252 1.402 11.099 1.00 0.00 H new ATOM 1119 N ASP A 74 13.531 -3.640 10.193 1.00 0.00 N ATOM 1120 CA ASP A 74 12.805 -4.869 10.497 1.00 0.00 C ATOM 1121 C ASP A 74 11.775 -5.183 9.416 1.00 0.00 C ATOM 1122 O ASP A 74 10.696 -5.701 9.705 1.00 0.00 O ATOM 1123 CB ASP A 74 12.114 -4.753 11.857 1.00 0.00 C ATOM 1124 CG ASP A 74 11.817 -6.106 12.473 1.00 0.00 C ATOM 1125 OD1 ASP A 74 11.019 -6.865 11.884 1.00 0.00 O ATOM 1126 OD2 ASP A 74 12.381 -6.407 13.546 1.00 0.00 O ATOM 0 H ASP A 74 14.546 -3.744 10.175 1.00 0.00 H new ATOM 0 HA ASP A 74 13.526 -5.685 10.529 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.746 -4.179 12.535 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.183 -4.197 11.742 1.00 0.00 H new ATOM 1131 N VAL A 75 12.114 -4.866 8.171 1.00 0.00 N ATOM 1132 CA VAL A 75 11.217 -5.116 7.049 1.00 0.00 C ATOM 1133 C VAL A 75 11.950 -5.815 5.905 1.00 0.00 C ATOM 1134 O VAL A 75 12.567 -5.163 5.063 1.00 0.00 O ATOM 1135 CB VAL A 75 10.595 -3.808 6.524 1.00 0.00 C ATOM 1136 CG1 VAL A 75 9.546 -4.102 5.462 1.00 0.00 C ATOM 1137 CG2 VAL A 75 9.995 -3.006 7.669 1.00 0.00 C ATOM 0 H VAL A 75 13.002 -4.436 7.914 1.00 0.00 H new ATOM 0 HA VAL A 75 10.422 -5.764 7.417 1.00 0.00 H new ATOM 0 HB VAL A 75 11.383 -3.211 6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.118 -3.166 5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.010 -4.631 4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.757 -4.720 5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.560 -2.085 7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.219 -3.595 8.159 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.775 -2.762 8.390 1.00 0.00 H new ATOM 1147 N PRO A 76 11.891 -7.159 5.860 1.00 0.00 N ATOM 1148 CA PRO A 76 12.554 -7.944 4.813 1.00 0.00 C ATOM 1149 C PRO A 76 11.900 -7.758 3.448 1.00 0.00 C ATOM 1150 O PRO A 76 11.123 -8.601 2.999 1.00 0.00 O ATOM 1151 CB PRO A 76 12.388 -9.389 5.293 1.00 0.00 C ATOM 1152 CG PRO A 76 11.179 -9.363 6.161 1.00 0.00 C ATOM 1153 CD PRO A 76 11.177 -8.015 6.825 1.00 0.00 C ATOM 0 HA PRO A 76 13.593 -7.643 4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.258 -10.072 4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.265 -9.726 5.846 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.273 -9.510 5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.212 -10.163 6.901 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.163 -7.658 7.006 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.683 -8.041 7.790 1.00 0.00 H new ATOM 1161 N ASP A 77 12.219 -6.647 2.794 1.00 0.00 N ATOM 1162 CA ASP A 77 11.662 -6.348 1.479 1.00 0.00 C ATOM 1163 C ASP A 77 12.741 -6.404 0.401 1.00 0.00 C ATOM 1164 O ASP A 77 13.580 -5.509 0.301 1.00 0.00 O ATOM 1165 CB ASP A 77 11.004 -4.967 1.484 1.00 0.00 C ATOM 1166 CG ASP A 77 9.807 -4.894 0.556 1.00 0.00 C ATOM 1167 OD1 ASP A 77 10.004 -4.976 -0.675 1.00 0.00 O ATOM 1168 OD2 ASP A 77 8.673 -4.755 1.060 1.00 0.00 O ATOM 0 H ASP A 77 12.860 -5.939 3.152 1.00 0.00 H new ATOM 0 HA ASP A 77 10.910 -7.103 1.253 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.690 -4.721 2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.737 -4.217 1.187 1.00 0.00 H new ATOM 1173 N GLU A 78 12.708 -7.459 -0.407 1.00 0.00 N ATOM 1174 CA GLU A 78 13.678 -7.632 -1.483 1.00 0.00 C ATOM 1175 C GLU A 78 13.021 -7.411 -2.841 1.00 0.00 C ATOM 1176 O GLU A 78 12.152 -8.180 -3.253 1.00 0.00 O ATOM 1177 CB GLU A 78 14.298 -9.030 -1.421 1.00 0.00 C ATOM 1178 CG GLU A 78 15.645 -9.068 -0.718 1.00 0.00 C ATOM 1179 CD GLU A 78 15.520 -8.934 0.787 1.00 0.00 C ATOM 1180 OE1 GLU A 78 14.582 -9.526 1.361 1.00 0.00 O ATOM 1181 OE2 GLU A 78 16.361 -8.236 1.392 1.00 0.00 O ATOM 0 H GLU A 78 12.019 -8.208 -0.337 1.00 0.00 H new ATOM 0 HA GLU A 78 14.466 -6.890 -1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.610 -9.701 -0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.416 -9.411 -2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.148 -10.005 -0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.273 -8.263 -1.100 1.00 0.00 H new ATOM 1188 N ILE A 79 13.435 -6.352 -3.531 1.00 0.00 N ATOM 1189 CA ILE A 79 12.878 -6.030 -4.839 1.00 0.00 C ATOM 1190 C ILE A 79 13.969 -5.624 -5.826 1.00 0.00 C ATOM 1191 O ILE A 79 15.069 -5.239 -5.429 1.00 0.00 O ATOM 1192 CB ILE A 79 11.839 -4.895 -4.742 1.00 0.00 C ATOM 1193 CG1 ILE A 79 12.513 -3.577 -4.333 1.00 0.00 C ATOM 1194 CG2 ILE A 79 10.733 -5.272 -3.766 1.00 0.00 C ATOM 1195 CD1 ILE A 79 13.016 -3.557 -2.904 1.00 0.00 C ATOM 0 H ILE A 79 14.153 -5.704 -3.206 1.00 0.00 H new ATOM 0 HA ILE A 79 12.389 -6.934 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 79 11.390 -4.749 -5.724 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.350 -3.386 -5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 79 11.803 -2.761 -4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.007 -4.461 -3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.237 -6.179 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.162 -5.446 -2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.478 -2.592 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.181 -3.715 -2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.752 -4.349 -2.766 1.00 0.00 H new ATOM 1207 N GLN A 80 13.652 -5.707 -7.115 1.00 0.00 N ATOM 1208 CA GLN A 80 14.601 -5.340 -8.159 1.00 0.00 C ATOM 1209 C GLN A 80 14.761 -3.825 -8.232 1.00 0.00 C ATOM 1210 O GLN A 80 15.877 -3.312 -8.317 1.00 0.00 O ATOM 1211 CB GLN A 80 14.137 -5.883 -9.513 1.00 0.00 C ATOM 1212 CG GLN A 80 15.238 -5.928 -10.559 1.00 0.00 C ATOM 1213 CD GLN A 80 16.460 -6.692 -10.087 1.00 0.00 C ATOM 1214 OE1 GLN A 80 16.593 -7.889 -10.338 1.00 0.00 O ATOM 1215 NE2 GLN A 80 17.360 -6.000 -9.398 1.00 0.00 N ATOM 0 H GLN A 80 12.746 -6.025 -7.460 1.00 0.00 H new ATOM 0 HA GLN A 80 15.567 -5.780 -7.913 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.737 -6.888 -9.375 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.320 -5.263 -9.883 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.853 -6.392 -11.467 1.00 0.00 H new ATOM 0 HG3 GLN A 80 15.529 -4.910 -10.819 1.00 0.00 H new ATOM 0 HE21 GLN A 80 17.209 -5.008 -9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 80 18.203 -6.460 -9.054 1.00 0.00 H new ATOM 1224 N GLY A 81 13.637 -3.114 -8.193 1.00 0.00 N ATOM 1225 CA GLY A 81 13.673 -1.664 -8.250 1.00 0.00 C ATOM 1226 C GLY A 81 13.018 -1.023 -7.041 1.00 0.00 C ATOM 1227 O GLY A 81 12.011 -1.520 -6.538 1.00 0.00 O ATOM 0 H GLY A 81 12.703 -3.517 -8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.709 -1.331 -8.318 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.169 -1.326 -9.155 1.00 0.00 H new ATOM 1231 N PHE A 82 13.606 0.072 -6.562 1.00 0.00 N ATOM 1232 CA PHE A 82 13.103 0.781 -5.395 1.00 0.00 C ATOM 1233 C PHE A 82 11.621 0.841 -5.279 1.00 0.00 C ATOM 1234 O PHE A 82 11.094 0.648 -4.184 1.00 0.00 O ATOM 1235 CB PHE A 82 13.680 2.179 -5.336 1.00 0.00 C ATOM 1236 CG PHE A 82 14.675 2.295 -4.250 1.00 0.00 C ATOM 1237 CD1 PHE A 82 14.268 2.238 -2.933 1.00 0.00 C ATOM 1238 CD2 PHE A 82 16.012 2.419 -4.544 1.00 0.00 C ATOM 1239 CE1 PHE A 82 15.195 2.317 -1.914 1.00 0.00 C ATOM 1240 CE2 PHE A 82 16.944 2.493 -3.541 1.00 0.00 C ATOM 1241 CZ PHE A 82 16.540 2.444 -2.218 1.00 0.00 C ATOM 0 H PHE A 82 14.441 0.489 -6.973 1.00 0.00 H new ATOM 0 HA PHE A 82 13.438 0.188 -4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.147 2.424 -6.290 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.879 2.901 -5.179 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.219 2.131 -2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.331 2.459 -5.575 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.873 2.280 -0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 82 17.992 2.589 -3.783 1.00 0.00 H new ATOM 0 HZ PHE A 82 17.271 2.505 -1.426 1.00 0.00 H new ATOM 1251 N PRO A 83 10.905 1.139 -6.339 1.00 0.00 N ATOM 1252 CA PRO A 83 9.485 1.234 -6.214 1.00 0.00 C ATOM 1253 C PRO A 83 8.872 -0.098 -5.802 1.00 0.00 C ATOM 1254 O PRO A 83 8.339 -0.843 -6.625 1.00 0.00 O ATOM 1255 CB PRO A 83 9.008 1.680 -7.591 1.00 0.00 C ATOM 1256 CG PRO A 83 10.227 2.173 -8.301 1.00 0.00 C ATOM 1257 CD PRO A 83 11.390 1.444 -7.692 1.00 0.00 C ATOM 0 HA PRO A 83 9.184 1.935 -5.435 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.547 0.854 -8.132 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.257 2.466 -7.510 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.161 1.976 -9.371 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.338 3.251 -8.182 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.637 0.539 -8.247 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.289 2.060 -7.671 1.00 0.00 H new ATOM 1265 N THR A 84 8.986 -0.389 -4.513 1.00 0.00 N ATOM 1266 CA THR A 84 8.487 -1.626 -3.940 1.00 0.00 C ATOM 1267 C THR A 84 6.987 -1.548 -3.668 1.00 0.00 C ATOM 1268 O THR A 84 6.474 -0.515 -3.243 1.00 0.00 O ATOM 1269 CB THR A 84 9.260 -1.922 -2.645 1.00 0.00 C ATOM 1270 OG1 THR A 84 10.335 -2.803 -2.899 1.00 0.00 O ATOM 1271 CG2 THR A 84 8.418 -2.541 -1.547 1.00 0.00 C ATOM 0 H THR A 84 9.429 0.231 -3.835 1.00 0.00 H new ATOM 0 HA THR A 84 8.642 -2.436 -4.653 1.00 0.00 H new ATOM 0 HB THR A 84 9.605 -0.948 -2.299 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.332 -3.523 -2.234 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.039 -2.718 -0.669 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.605 -1.863 -1.286 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.004 -3.487 -1.896 1.00 0.00 H new ATOM 1279 N ILE A 85 6.297 -2.659 -3.905 1.00 0.00 N ATOM 1280 CA ILE A 85 4.861 -2.735 -3.673 1.00 0.00 C ATOM 1281 C ILE A 85 4.514 -4.007 -2.907 1.00 0.00 C ATOM 1282 O ILE A 85 4.579 -5.108 -3.456 1.00 0.00 O ATOM 1283 CB ILE A 85 4.064 -2.710 -4.991 1.00 0.00 C ATOM 1284 CG1 ILE A 85 4.609 -1.632 -5.932 1.00 0.00 C ATOM 1285 CG2 ILE A 85 2.586 -2.479 -4.710 1.00 0.00 C ATOM 1286 CD1 ILE A 85 5.348 -2.192 -7.127 1.00 0.00 C ATOM 0 H ILE A 85 6.712 -3.521 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 85 4.585 -1.859 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 85 4.177 -3.677 -5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.782 -1.015 -6.283 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.279 -0.979 -5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.035 -2.464 -5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.206 -3.283 -4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.458 -1.525 -4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.706 -1.372 -7.750 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.196 -2.785 -6.785 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.675 -2.822 -7.708 1.00 0.00 H new ATOM 1298 N LYS A 86 4.156 -3.852 -1.638 1.00 0.00 N ATOM 1299 CA LYS A 86 3.811 -4.993 -0.798 1.00 0.00 C ATOM 1300 C LYS A 86 2.301 -5.105 -0.616 1.00 0.00 C ATOM 1301 O LYS A 86 1.646 -4.161 -0.173 1.00 0.00 O ATOM 1302 CB LYS A 86 4.494 -4.873 0.565 1.00 0.00 C ATOM 1303 CG LYS A 86 5.960 -5.272 0.548 1.00 0.00 C ATOM 1304 CD LYS A 86 6.126 -6.779 0.439 1.00 0.00 C ATOM 1305 CE LYS A 86 7.353 -7.147 -0.379 1.00 0.00 C ATOM 1306 NZ LYS A 86 7.474 -8.619 -0.568 1.00 0.00 N ATOM 0 H LYS A 86 4.097 -2.949 -1.168 1.00 0.00 H new ATOM 0 HA LYS A 86 4.163 -5.896 -1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.410 -3.844 0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.964 -5.498 1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.460 -4.788 -0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.446 -4.916 1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.210 -7.210 1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.238 -7.212 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.300 -6.659 -1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.247 -6.770 0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.823 -8.818 -1.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.141 -9.005 0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.543 -9.063 -0.439 1.00 0.00 H new ATOM 1320 N LEU A 87 1.758 -6.269 -0.960 1.00 0.00 N ATOM 1321 CA LEU A 87 0.327 -6.513 -0.836 1.00 0.00 C ATOM 1322 C LEU A 87 0.041 -7.512 0.281 1.00 0.00 C ATOM 1323 O LEU A 87 0.649 -8.582 0.340 1.00 0.00 O ATOM 1324 CB LEU A 87 -0.238 -7.036 -2.160 1.00 0.00 C ATOM 1325 CG LEU A 87 -1.531 -6.367 -2.624 1.00 0.00 C ATOM 1326 CD1 LEU A 87 -2.588 -6.434 -1.533 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -1.267 -4.924 -3.029 1.00 0.00 C ATOM 0 H LEU A 87 2.289 -7.058 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.158 -5.569 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.517 -6.907 -2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.416 -8.107 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.905 -6.905 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.502 -5.953 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.796 -7.476 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.225 -5.921 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.198 -4.462 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.869 -4.374 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.544 -4.901 -3.844 1.00 0.00 H new ATOM 1339 N TYR A 88 -0.888 -7.155 1.163 1.00 0.00 N ATOM 1340 CA TYR A 88 -1.257 -8.021 2.276 1.00 0.00 C ATOM 1341 C TYR A 88 -2.776 -8.133 2.397 1.00 0.00 C ATOM 1342 O TYR A 88 -3.418 -7.303 3.040 1.00 0.00 O ATOM 1343 CB TYR A 88 -0.666 -7.487 3.580 1.00 0.00 C ATOM 1344 CG TYR A 88 0.806 -7.793 3.743 1.00 0.00 C ATOM 1345 CD1 TYR A 88 1.231 -9.049 4.155 1.00 0.00 C ATOM 1346 CD2 TYR A 88 1.769 -6.826 3.483 1.00 0.00 C ATOM 1347 CE1 TYR A 88 2.575 -9.334 4.304 1.00 0.00 C ATOM 1348 CE2 TYR A 88 3.115 -7.103 3.630 1.00 0.00 C ATOM 1349 CZ TYR A 88 3.512 -8.358 4.040 1.00 0.00 C ATOM 1350 OH TYR A 88 4.852 -8.637 4.187 1.00 0.00 O ATOM 0 H TYR A 88 -1.398 -6.272 1.128 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.853 -9.015 2.083 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.812 -6.408 3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.213 -7.914 4.420 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.499 -9.816 4.362 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.461 -5.842 3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.889 -10.316 4.625 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.852 -6.341 3.425 1.00 0.00 H new ATOM 0 HH TYR A 88 5.378 -7.842 3.960 1.00 0.00 H new ATOM 1360 N PRO A 89 -3.374 -9.166 1.775 1.00 0.00 N ATOM 1361 CA PRO A 89 -4.822 -9.379 1.815 1.00 0.00 C ATOM 1362 C PRO A 89 -5.284 -9.999 3.129 1.00 0.00 C ATOM 1363 O PRO A 89 -4.560 -10.779 3.748 1.00 0.00 O ATOM 1364 CB PRO A 89 -5.058 -10.345 0.656 1.00 0.00 C ATOM 1365 CG PRO A 89 -3.797 -11.133 0.565 1.00 0.00 C ATOM 1366 CD PRO A 89 -2.686 -10.203 0.980 1.00 0.00 C ATOM 0 HA PRO A 89 -5.378 -8.445 1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -5.916 -10.990 0.845 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.260 -9.810 -0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.836 -12.006 1.216 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.639 -11.499 -0.450 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.929 -10.722 1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.179 -9.774 0.116 1.00 0.00 H new ATOM 1374 N ALA A 90 -6.496 -9.648 3.548 1.00 0.00 N ATOM 1375 CA ALA A 90 -7.058 -10.171 4.787 1.00 0.00 C ATOM 1376 C ALA A 90 -7.577 -11.592 4.593 1.00 0.00 C ATOM 1377 O ALA A 90 -8.183 -11.907 3.569 1.00 0.00 O ATOM 1378 CB ALA A 90 -8.170 -9.263 5.286 1.00 0.00 C ATOM 0 H ALA A 90 -7.107 -9.003 3.047 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.266 -10.199 5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.581 -9.666 6.212 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.770 -8.266 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.958 -9.206 4.535 1.00 0.00 H new ATOM 1384 N GLY A 91 -7.331 -12.446 5.580 1.00 0.00 N ATOM 1385 CA GLY A 91 -7.775 -13.825 5.496 1.00 0.00 C ATOM 1386 C GLY A 91 -6.699 -14.740 4.945 1.00 0.00 C ATOM 1387 O GLY A 91 -6.547 -15.875 5.395 1.00 0.00 O ATOM 0 H GLY A 91 -6.832 -12.208 6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.071 -14.171 6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.659 -13.882 4.861 1.00 0.00 H new ATOM 1391 N ALA A 92 -5.948 -14.239 3.970 1.00 0.00 N ATOM 1392 CA ALA A 92 -4.874 -15.007 3.355 1.00 0.00 C ATOM 1393 C ALA A 92 -3.571 -14.215 3.372 1.00 0.00 C ATOM 1394 O ALA A 92 -2.973 -13.956 2.328 1.00 0.00 O ATOM 1395 CB ALA A 92 -5.247 -15.388 1.930 1.00 0.00 C ATOM 0 H ALA A 92 -6.065 -13.300 3.588 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.727 -15.920 3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.435 -15.962 1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.155 -15.991 1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.418 -14.485 1.345 1.00 0.00 H new ATOM 1401 N LYS A 93 -3.139 -13.832 4.569 1.00 0.00 N ATOM 1402 CA LYS A 93 -1.908 -13.064 4.729 1.00 0.00 C ATOM 1403 C LYS A 93 -0.773 -13.956 5.224 1.00 0.00 C ATOM 1404 O LYS A 93 -0.917 -15.176 5.299 1.00 0.00 O ATOM 1405 CB LYS A 93 -2.118 -11.888 5.694 1.00 0.00 C ATOM 1406 CG LYS A 93 -3.245 -12.092 6.697 1.00 0.00 C ATOM 1407 CD LYS A 93 -2.922 -13.202 7.685 1.00 0.00 C ATOM 1408 CE LYS A 93 -2.320 -12.650 8.967 1.00 0.00 C ATOM 1409 NZ LYS A 93 -1.267 -13.548 9.517 1.00 0.00 N ATOM 0 H LYS A 93 -3.622 -14.040 5.443 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.634 -12.665 3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.191 -11.711 6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.323 -10.989 5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.423 -11.163 7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.166 -12.333 6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.830 -13.758 7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.226 -13.905 7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.893 -11.666 8.773 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.107 -12.516 9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.881 -13.136 10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.680 -14.480 9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.504 -13.656 8.819 1.00 0.00 H new ATOM 1423 N GLY A 94 0.358 -13.340 5.553 1.00 0.00 N ATOM 1424 CA GLY A 94 1.502 -14.095 6.027 1.00 0.00 C ATOM 1425 C GLY A 94 2.597 -14.209 4.982 1.00 0.00 C ATOM 1426 O GLY A 94 3.705 -14.652 5.282 1.00 0.00 O ATOM 0 H GLY A 94 0.502 -12.332 5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.905 -13.616 6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.178 -15.094 6.320 1.00 0.00 H new ATOM 1430 N GLN A 95 2.288 -13.804 3.752 1.00 0.00 N ATOM 1431 CA GLN A 95 3.257 -13.857 2.664 1.00 0.00 C ATOM 1432 C GLN A 95 3.348 -12.504 1.954 1.00 0.00 C ATOM 1433 O GLN A 95 2.394 -12.066 1.311 1.00 0.00 O ATOM 1434 CB GLN A 95 2.890 -14.969 1.668 1.00 0.00 C ATOM 1435 CG GLN A 95 1.707 -14.645 0.765 1.00 0.00 C ATOM 1436 CD GLN A 95 0.447 -14.315 1.540 1.00 0.00 C ATOM 1437 OE1 GLN A 95 -0.135 -15.178 2.198 1.00 0.00 O ATOM 1438 NE2 GLN A 95 0.018 -13.060 1.467 1.00 0.00 N ATOM 0 H GLN A 95 1.375 -13.436 3.486 1.00 0.00 H new ATOM 0 HA GLN A 95 4.235 -14.085 3.088 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.759 -15.182 1.045 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.667 -15.879 2.225 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.965 -13.801 0.125 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.513 -15.494 0.110 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.531 -12.377 0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.825 -12.779 1.968 1.00 0.00 H new ATOM 1447 N PRO A 96 4.497 -11.812 2.069 1.00 0.00 N ATOM 1448 CA PRO A 96 4.693 -10.502 1.439 1.00 0.00 C ATOM 1449 C PRO A 96 4.578 -10.567 -0.080 1.00 0.00 C ATOM 1450 O PRO A 96 5.435 -11.142 -0.752 1.00 0.00 O ATOM 1451 CB PRO A 96 6.119 -10.108 1.847 1.00 0.00 C ATOM 1452 CG PRO A 96 6.438 -10.960 3.028 1.00 0.00 C ATOM 1453 CD PRO A 96 5.685 -12.242 2.825 1.00 0.00 C ATOM 0 HA PRO A 96 3.934 -9.787 1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.824 -10.283 1.034 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.178 -9.049 2.098 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.510 -11.144 3.099 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.136 -10.472 3.955 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.274 -12.972 2.270 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.414 -12.705 3.774 1.00 0.00 H new ATOM 1461 N VAL A 97 3.518 -9.971 -0.618 1.00 0.00 N ATOM 1462 CA VAL A 97 3.302 -9.963 -2.060 1.00 0.00 C ATOM 1463 C VAL A 97 4.152 -8.890 -2.731 1.00 0.00 C ATOM 1464 O VAL A 97 3.860 -7.698 -2.630 1.00 0.00 O ATOM 1465 CB VAL A 97 1.820 -9.721 -2.407 1.00 0.00 C ATOM 1466 CG1 VAL A 97 1.589 -9.864 -3.903 1.00 0.00 C ATOM 1467 CG2 VAL A 97 0.925 -10.675 -1.629 1.00 0.00 C ATOM 0 H VAL A 97 2.798 -9.489 -0.079 1.00 0.00 H new ATOM 0 HA VAL A 97 3.596 -10.945 -2.431 1.00 0.00 H new ATOM 0 HB VAL A 97 1.563 -8.702 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.537 -9.689 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.199 -9.135 -4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.865 -10.870 -4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.117 -10.489 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.183 -11.703 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.067 -10.517 -0.560 1.00 0.00 H new ATOM 1477 N THR A 98 5.209 -9.320 -3.414 1.00 0.00 N ATOM 1478 CA THR A 98 6.105 -8.394 -4.098 1.00 0.00 C ATOM 1479 C THR A 98 5.719 -8.242 -5.566 1.00 0.00 C ATOM 1480 O THR A 98 5.645 -9.225 -6.304 1.00 0.00 O ATOM 1481 CB THR A 98 7.552 -8.875 -3.987 1.00 0.00 C ATOM 1482 OG1 THR A 98 7.705 -9.757 -2.888 1.00 0.00 O ATOM 1483 CG2 THR A 98 8.546 -7.747 -3.812 1.00 0.00 C ATOM 0 H THR A 98 5.466 -10.303 -3.508 1.00 0.00 H new ATOM 0 HA THR A 98 6.014 -7.421 -3.616 1.00 0.00 H new ATOM 0 HB THR A 98 7.762 -9.379 -4.930 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.637 -10.055 -2.835 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.553 -8.157 -3.740 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.488 -7.075 -4.668 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.313 -7.195 -2.901 1.00 0.00 H new ATOM 1491 N TYR A 99 5.476 -7.004 -5.983 1.00 0.00 N ATOM 1492 CA TYR A 99 5.099 -6.720 -7.363 1.00 0.00 C ATOM 1493 C TYR A 99 6.270 -6.959 -8.310 1.00 0.00 C ATOM 1494 O TYR A 99 7.341 -7.399 -7.892 1.00 0.00 O ATOM 1495 CB TYR A 99 4.619 -5.274 -7.495 1.00 0.00 C ATOM 1496 CG TYR A 99 3.144 -5.093 -7.219 1.00 0.00 C ATOM 1497 CD1 TYR A 99 2.522 -5.773 -6.180 1.00 0.00 C ATOM 1498 CD2 TYR A 99 2.374 -4.239 -7.998 1.00 0.00 C ATOM 1499 CE1 TYR A 99 1.174 -5.607 -5.924 1.00 0.00 C ATOM 1500 CE2 TYR A 99 1.026 -4.067 -7.749 1.00 0.00 C ATOM 1501 CZ TYR A 99 0.431 -4.753 -6.712 1.00 0.00 C ATOM 1502 OH TYR A 99 -0.912 -4.584 -6.461 1.00 0.00 O ATOM 0 H TYR A 99 5.533 -6.180 -5.384 1.00 0.00 H new ATOM 0 HA TYR A 99 4.288 -7.396 -7.635 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.187 -4.648 -6.807 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.837 -4.919 -8.502 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.101 -6.443 -5.562 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.837 -3.700 -8.812 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.705 -6.143 -5.112 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.441 -3.399 -8.364 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.227 -5.299 -5.870 1.00 0.00 H new ATOM 1512 N SER A 100 6.059 -6.658 -9.587 1.00 0.00 N ATOM 1513 CA SER A 100 7.096 -6.831 -10.598 1.00 0.00 C ATOM 1514 C SER A 100 7.389 -5.514 -11.314 1.00 0.00 C ATOM 1515 O SER A 100 8.009 -5.501 -12.377 1.00 0.00 O ATOM 1516 CB SER A 100 6.674 -7.894 -11.614 1.00 0.00 C ATOM 1517 OG SER A 100 6.572 -9.170 -11.007 1.00 0.00 O ATOM 0 H SER A 100 5.177 -6.292 -9.947 1.00 0.00 H new ATOM 0 HA SER A 100 8.006 -7.158 -10.095 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.715 -7.620 -12.054 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.399 -7.932 -12.427 1.00 0.00 H new ATOM 0 HG SER A 100 6.299 -9.830 -11.678 1.00 0.00 H new ATOM 1523 N GLY A 101 6.940 -4.406 -10.727 1.00 0.00 N ATOM 1524 CA GLY A 101 7.166 -3.105 -11.327 1.00 0.00 C ATOM 1525 C GLY A 101 5.950 -2.204 -11.237 1.00 0.00 C ATOM 1526 O GLY A 101 4.866 -2.566 -11.694 1.00 0.00 O ATOM 0 H GLY A 101 6.424 -4.388 -9.847 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.009 -2.622 -10.833 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.442 -3.234 -12.374 1.00 0.00 H new ATOM 1530 N SER A 102 6.130 -1.026 -10.647 1.00 0.00 N ATOM 1531 CA SER A 102 5.037 -0.071 -10.499 1.00 0.00 C ATOM 1532 C SER A 102 5.057 0.958 -11.626 1.00 0.00 C ATOM 1533 O SER A 102 6.033 1.059 -12.369 1.00 0.00 O ATOM 1534 CB SER A 102 5.129 0.634 -9.143 1.00 0.00 C ATOM 1535 OG SER A 102 4.026 0.300 -8.318 1.00 0.00 O ATOM 0 H SER A 102 7.021 -0.710 -10.264 1.00 0.00 H new ATOM 0 HA SER A 102 4.097 -0.620 -10.551 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.057 0.353 -8.646 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.162 1.713 -9.292 1.00 0.00 H new ATOM 0 HG SER A 102 4.016 0.885 -7.532 1.00 0.00 H new ATOM 1541 N ARG A 103 3.974 1.718 -11.746 1.00 0.00 N ATOM 1542 CA ARG A 103 3.869 2.739 -12.783 1.00 0.00 C ATOM 1543 C ARG A 103 2.715 3.694 -12.494 1.00 0.00 C ATOM 1544 O ARG A 103 2.928 4.877 -12.229 1.00 0.00 O ATOM 1545 CB ARG A 103 3.678 2.084 -14.153 1.00 0.00 C ATOM 1546 CG ARG A 103 4.969 1.933 -14.940 1.00 0.00 C ATOM 1547 CD ARG A 103 4.699 1.706 -16.420 1.00 0.00 C ATOM 1548 NE ARG A 103 4.918 0.315 -16.810 1.00 0.00 N ATOM 1549 CZ ARG A 103 4.018 -0.653 -16.646 1.00 0.00 C ATOM 1550 NH1 ARG A 103 2.837 -0.389 -16.100 1.00 0.00 N ATOM 1551 NH2 ARG A 103 4.301 -1.891 -17.029 1.00 0.00 N ATOM 0 H ARG A 103 3.157 1.647 -11.139 1.00 0.00 H new ATOM 0 HA ARG A 103 4.795 3.313 -12.789 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.228 1.101 -14.017 1.00 0.00 H new ATOM 0 HB3 ARG A 103 2.974 2.678 -14.736 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.579 2.827 -14.814 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.543 1.096 -14.542 1.00 0.00 H new ATOM 0 HD2 ARG A 103 3.671 1.989 -16.648 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.347 2.354 -17.010 1.00 0.00 H new ATOM 0 HE ARG A 103 5.813 0.071 -17.233 1.00 0.00 H new ATOM 0 HH11 ARG A 103 2.613 0.561 -15.803 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.153 -1.136 -15.978 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.207 -2.101 -17.448 1.00 0.00 H new ATOM 0 HH22 ARG A 103 3.613 -2.633 -16.904 1.00 0.00 H new ATOM 1565 N THR A 104 1.493 3.174 -12.548 1.00 0.00 N ATOM 1566 CA THR A 104 0.306 3.982 -12.294 1.00 0.00 C ATOM 1567 C THR A 104 -0.593 3.320 -11.254 1.00 0.00 C ATOM 1568 O THR A 104 -0.570 2.101 -11.084 1.00 0.00 O ATOM 1569 CB THR A 104 -0.472 4.202 -13.592 1.00 0.00 C ATOM 1570 OG1 THR A 104 0.398 4.597 -14.637 1.00 0.00 O ATOM 1571 CG2 THR A 104 -1.552 5.256 -13.471 1.00 0.00 C ATOM 0 H THR A 104 1.299 2.197 -12.765 1.00 0.00 H new ATOM 0 HA THR A 104 0.630 4.947 -11.904 1.00 0.00 H new ATOM 0 HB THR A 104 -0.944 3.244 -13.812 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.118 4.731 -15.459 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.065 5.362 -14.427 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.268 4.957 -12.706 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.101 6.209 -13.193 1.00 0.00 H new ATOM 1579 N VAL A 105 -1.383 4.133 -10.559 1.00 0.00 N ATOM 1580 CA VAL A 105 -2.290 3.629 -9.535 1.00 0.00 C ATOM 1581 C VAL A 105 -3.377 2.749 -10.142 1.00 0.00 C ATOM 1582 O VAL A 105 -3.893 1.843 -9.487 1.00 0.00 O ATOM 1583 CB VAL A 105 -2.955 4.781 -8.759 1.00 0.00 C ATOM 1584 CG1 VAL A 105 -1.916 5.565 -7.969 1.00 0.00 C ATOM 1585 CG2 VAL A 105 -3.716 5.695 -9.708 1.00 0.00 C ATOM 0 H VAL A 105 -1.413 5.144 -10.687 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.688 3.034 -8.848 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.667 4.355 -8.053 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.405 6.375 -7.428 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.421 4.901 -7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.177 5.981 -8.653 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.179 6.503 -9.142 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.026 6.114 -10.441 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.488 5.123 -10.222 1.00 0.00 H new ATOM 1595 N GLU A 106 -3.724 3.020 -11.397 1.00 0.00 N ATOM 1596 CA GLU A 106 -4.752 2.250 -12.090 1.00 0.00 C ATOM 1597 C GLU A 106 -4.389 0.769 -12.133 1.00 0.00 C ATOM 1598 O GLU A 106 -5.252 -0.097 -11.987 1.00 0.00 O ATOM 1599 CB GLU A 106 -4.947 2.782 -13.511 1.00 0.00 C ATOM 1600 CG GLU A 106 -3.725 2.611 -14.398 1.00 0.00 C ATOM 1601 CD GLU A 106 -3.640 3.666 -15.484 1.00 0.00 C ATOM 1602 OE1 GLU A 106 -3.900 4.850 -15.182 1.00 0.00 O ATOM 1603 OE2 GLU A 106 -3.314 3.309 -16.635 1.00 0.00 O ATOM 0 H GLU A 106 -3.309 3.766 -11.954 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.685 2.359 -11.538 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.793 2.269 -13.969 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.205 3.840 -13.462 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.826 2.654 -13.784 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.750 1.623 -14.858 1.00 0.00 H new ATOM 1610 N ASP A 107 -3.106 0.486 -12.335 1.00 0.00 N ATOM 1611 CA ASP A 107 -2.629 -0.891 -12.396 1.00 0.00 C ATOM 1612 C ASP A 107 -2.627 -1.527 -11.010 1.00 0.00 C ATOM 1613 O ASP A 107 -2.955 -2.704 -10.855 1.00 0.00 O ATOM 1614 CB ASP A 107 -1.222 -0.939 -12.994 1.00 0.00 C ATOM 1615 CG ASP A 107 -0.983 -2.193 -13.812 1.00 0.00 C ATOM 1616 OD1 ASP A 107 -1.933 -2.658 -14.475 1.00 0.00 O ATOM 1617 OD2 ASP A 107 0.154 -2.709 -13.789 1.00 0.00 O ATOM 0 H ASP A 107 -2.379 1.191 -12.459 1.00 0.00 H new ATOM 0 HA ASP A 107 -3.307 -1.457 -13.035 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.068 -0.063 -13.624 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.487 -0.887 -12.191 1.00 0.00 H new ATOM 1622 N LEU A 108 -2.256 -0.741 -10.005 1.00 0.00 N ATOM 1623 CA LEU A 108 -2.212 -1.226 -8.631 1.00 0.00 C ATOM 1624 C LEU A 108 -3.591 -1.690 -8.173 1.00 0.00 C ATOM 1625 O LEU A 108 -3.773 -2.847 -7.796 1.00 0.00 O ATOM 1626 CB LEU A 108 -1.693 -0.131 -7.698 1.00 0.00 C ATOM 1627 CG LEU A 108 -1.647 -0.509 -6.216 1.00 0.00 C ATOM 1628 CD1 LEU A 108 -0.643 -1.626 -5.981 1.00 0.00 C ATOM 1629 CD2 LEU A 108 -1.305 0.706 -5.368 1.00 0.00 C ATOM 0 H LEU A 108 -1.981 0.235 -10.117 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.532 -2.077 -8.594 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.689 0.150 -8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.323 0.751 -7.813 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.633 -0.868 -5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.624 -1.881 -4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.932 -2.503 -6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.348 -1.296 -6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.276 0.420 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.331 1.094 -5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.062 1.476 -5.514 1.00 0.00 H new ATOM 1641 N ILE A 109 -4.558 -0.779 -8.211 1.00 0.00 N ATOM 1642 CA ILE A 109 -5.924 -1.089 -7.801 1.00 0.00 C ATOM 1643 C ILE A 109 -6.443 -2.342 -8.503 1.00 0.00 C ATOM 1644 O ILE A 109 -7.043 -3.214 -7.875 1.00 0.00 O ATOM 1645 CB ILE A 109 -6.877 0.086 -8.099 1.00 0.00 C ATOM 1646 CG1 ILE A 109 -8.299 -0.243 -7.630 1.00 0.00 C ATOM 1647 CG2 ILE A 109 -6.859 0.415 -9.585 1.00 0.00 C ATOM 1648 CD1 ILE A 109 -9.333 0.779 -8.052 1.00 0.00 C ATOM 0 H ILE A 109 -4.421 0.183 -8.522 1.00 0.00 H new ATOM 0 HA ILE A 109 -5.899 -1.266 -6.726 1.00 0.00 H new ATOM 0 HB ILE A 109 -6.534 0.962 -7.549 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.585 -1.219 -8.023 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.304 -0.323 -6.543 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -7.536 1.246 -9.782 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -5.848 0.692 -9.884 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -7.180 -0.457 -10.155 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -10.314 0.478 -7.684 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.073 1.753 -7.637 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.358 0.843 -9.140 1.00 0.00 H new ATOM 1660 N LYS A 110 -6.210 -2.422 -9.809 1.00 0.00 N ATOM 1661 CA LYS A 110 -6.657 -3.566 -10.596 1.00 0.00 C ATOM 1662 C LYS A 110 -6.085 -4.868 -10.042 1.00 0.00 C ATOM 1663 O LYS A 110 -6.709 -5.924 -10.142 1.00 0.00 O ATOM 1664 CB LYS A 110 -6.245 -3.397 -12.059 1.00 0.00 C ATOM 1665 CG LYS A 110 -7.273 -3.926 -13.046 1.00 0.00 C ATOM 1666 CD LYS A 110 -6.609 -4.505 -14.285 1.00 0.00 C ATOM 1667 CE LYS A 110 -7.396 -4.176 -15.543 1.00 0.00 C ATOM 1668 NZ LYS A 110 -7.120 -5.145 -16.640 1.00 0.00 N ATOM 0 H LYS A 110 -5.715 -1.709 -10.344 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.744 -3.614 -10.534 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.072 -2.340 -12.259 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.298 -3.911 -12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.880 -4.693 -12.565 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.948 -3.121 -13.336 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.597 -4.111 -14.374 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.522 -5.587 -14.181 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.462 -4.179 -15.316 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.144 -3.169 -15.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -7.676 -4.886 -17.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.107 -5.124 -16.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.384 -6.103 -16.332 1.00 0.00 H new ATOM 1682 N PHE A 111 -4.894 -4.784 -9.458 1.00 0.00 N ATOM 1683 CA PHE A 111 -4.238 -5.955 -8.889 1.00 0.00 C ATOM 1684 C PHE A 111 -4.806 -6.286 -7.512 1.00 0.00 C ATOM 1685 O PHE A 111 -4.850 -7.449 -7.111 1.00 0.00 O ATOM 1686 CB PHE A 111 -2.728 -5.721 -8.791 1.00 0.00 C ATOM 1687 CG PHE A 111 -1.913 -6.740 -9.535 1.00 0.00 C ATOM 1688 CD1 PHE A 111 -2.007 -6.849 -10.913 1.00 0.00 C ATOM 1689 CD2 PHE A 111 -1.054 -7.589 -8.856 1.00 0.00 C ATOM 1690 CE1 PHE A 111 -1.258 -7.786 -11.601 1.00 0.00 C ATOM 1691 CE2 PHE A 111 -0.303 -8.528 -9.538 1.00 0.00 C ATOM 1692 CZ PHE A 111 -0.406 -8.626 -10.912 1.00 0.00 C ATOM 0 H PHE A 111 -4.364 -3.917 -9.367 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.426 -6.802 -9.549 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.496 -4.729 -9.179 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.435 -5.729 -7.741 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.673 -6.195 -11.456 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.970 -7.516 -7.782 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.339 -7.861 -12.675 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.363 -9.184 -8.997 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.179 -9.359 -11.447 1.00 0.00 H new ATOM 1702 N ILE A 112 -5.240 -5.258 -6.791 1.00 0.00 N ATOM 1703 CA ILE A 112 -5.805 -5.443 -5.460 1.00 0.00 C ATOM 1704 C ILE A 112 -7.139 -6.181 -5.525 1.00 0.00 C ATOM 1705 O ILE A 112 -7.517 -6.883 -4.588 1.00 0.00 O ATOM 1706 CB ILE A 112 -6.009 -4.095 -4.741 1.00 0.00 C ATOM 1707 CG1 ILE A 112 -4.709 -3.288 -4.745 1.00 0.00 C ATOM 1708 CG2 ILE A 112 -6.493 -4.318 -3.315 1.00 0.00 C ATOM 1709 CD1 ILE A 112 -4.917 -1.806 -4.521 1.00 0.00 C ATOM 0 H ILE A 112 -5.211 -4.288 -7.106 1.00 0.00 H new ATOM 0 HA ILE A 112 -5.090 -6.041 -4.895 1.00 0.00 H new ATOM 0 HB ILE A 112 -6.771 -3.529 -5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.048 -3.675 -3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.202 -3.436 -5.699 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -6.631 -3.355 -2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -7.441 -4.856 -3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.754 -4.902 -2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.953 -1.297 -4.536 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.552 -1.404 -5.311 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.396 -1.648 -3.555 1.00 0.00 H new ATOM 1721 N ALA A 113 -7.849 -6.016 -6.636 1.00 0.00 N ATOM 1722 CA ALA A 113 -9.141 -6.666 -6.819 1.00 0.00 C ATOM 1723 C ALA A 113 -8.974 -8.087 -7.347 1.00 0.00 C ATOM 1724 O ALA A 113 -9.716 -8.993 -6.966 1.00 0.00 O ATOM 1725 CB ALA A 113 -10.014 -5.851 -7.760 1.00 0.00 C ATOM 0 H ALA A 113 -7.552 -5.438 -7.422 1.00 0.00 H new ATOM 0 HA ALA A 113 -9.629 -6.724 -5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.975 -6.349 -7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -10.172 -4.857 -7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -9.521 -5.762 -8.728 1.00 0.00 H new ATOM 1731 N GLU A 114 -7.997 -8.275 -8.228 1.00 0.00 N ATOM 1732 CA GLU A 114 -7.735 -9.587 -8.810 1.00 0.00 C ATOM 1733 C GLU A 114 -7.074 -10.516 -7.796 1.00 0.00 C ATOM 1734 O GLU A 114 -7.237 -11.734 -7.858 1.00 0.00 O ATOM 1735 CB GLU A 114 -6.846 -9.448 -10.048 1.00 0.00 C ATOM 1736 CG GLU A 114 -7.628 -9.320 -11.346 1.00 0.00 C ATOM 1737 CD GLU A 114 -7.155 -10.290 -12.411 1.00 0.00 C ATOM 1738 OE1 GLU A 114 -6.663 -11.378 -12.047 1.00 0.00 O ATOM 1739 OE2 GLU A 114 -7.278 -9.961 -13.610 1.00 0.00 O ATOM 0 H GLU A 114 -7.374 -7.536 -8.555 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.690 -10.023 -9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.207 -8.573 -9.930 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.189 -10.315 -10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.686 -9.493 -11.147 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.536 -8.301 -11.722 1.00 0.00 H new ATOM 1746 N ASN A 115 -6.326 -9.934 -6.863 1.00 0.00 N ATOM 1747 CA ASN A 115 -5.640 -10.714 -5.838 1.00 0.00 C ATOM 1748 C ASN A 115 -6.143 -10.350 -4.444 1.00 0.00 C ATOM 1749 O ASN A 115 -5.441 -10.544 -3.451 1.00 0.00 O ATOM 1750 CB ASN A 115 -4.129 -10.488 -5.922 1.00 0.00 C ATOM 1751 CG ASN A 115 -3.604 -10.604 -7.339 1.00 0.00 C ATOM 1752 OD1 ASN A 115 -2.906 -11.559 -7.679 1.00 0.00 O ATOM 1753 ND2 ASN A 115 -3.939 -9.628 -8.175 1.00 0.00 N ATOM 0 H ASN A 115 -6.180 -8.927 -6.796 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.855 -11.768 -6.017 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.890 -9.500 -5.529 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -3.620 -11.215 -5.289 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -3.615 -9.651 -9.142 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.520 -8.855 -7.850 1.00 0.00 H new ATOM 1760 N GLY A 116 -7.362 -9.824 -4.376 1.00 0.00 N ATOM 1761 CA GLY A 116 -7.935 -9.444 -3.098 1.00 0.00 C ATOM 1762 C GLY A 116 -9.114 -10.314 -2.709 1.00 0.00 C ATOM 1763 O GLY A 116 -9.871 -10.764 -3.568 1.00 0.00 O ATOM 0 H GLY A 116 -7.963 -9.654 -5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -7.169 -9.510 -2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.255 -8.403 -3.142 1.00 0.00 H new ATOM 1767 N LYS A 117 -9.269 -10.550 -1.410 1.00 0.00 N ATOM 1768 CA LYS A 117 -10.365 -11.372 -0.909 1.00 0.00 C ATOM 1769 C LYS A 117 -11.657 -10.565 -0.830 1.00 0.00 C ATOM 1770 O LYS A 117 -12.750 -11.106 -0.996 1.00 0.00 O ATOM 1771 CB LYS A 117 -10.017 -11.938 0.469 1.00 0.00 C ATOM 1772 CG LYS A 117 -10.432 -13.389 0.653 1.00 0.00 C ATOM 1773 CD LYS A 117 -9.260 -14.335 0.448 1.00 0.00 C ATOM 1774 CE LYS A 117 -9.703 -15.638 -0.199 1.00 0.00 C ATOM 1775 NZ LYS A 117 -8.963 -16.809 0.347 1.00 0.00 N ATOM 0 H LYS A 117 -8.650 -10.184 -0.686 1.00 0.00 H new ATOM 0 HA LYS A 117 -10.516 -12.197 -1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -8.942 -11.854 0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -10.500 -11.331 1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.841 -13.527 1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -11.226 -13.634 -0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -8.508 -13.854 -0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -8.789 -14.546 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -10.772 -15.778 -0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -9.547 -15.580 -1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -9.294 -17.677 -0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.945 -16.689 0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -9.132 -16.880 1.371 1.00 0.00 H new ATOM 1789 N TYR A 118 -11.524 -9.267 -0.576 1.00 0.00 N ATOM 1790 CA TYR A 118 -12.681 -8.385 -0.476 1.00 0.00 C ATOM 1791 C TYR A 118 -13.315 -8.158 -1.845 1.00 0.00 C ATOM 1792 O TYR A 118 -14.516 -7.910 -1.950 1.00 0.00 O ATOM 1793 CB TYR A 118 -12.274 -7.045 0.141 1.00 0.00 C ATOM 1794 CG TYR A 118 -12.360 -7.023 1.650 1.00 0.00 C ATOM 1795 CD1 TYR A 118 -13.521 -7.418 2.304 1.00 0.00 C ATOM 1796 CD2 TYR A 118 -11.281 -6.610 2.421 1.00 0.00 C ATOM 1797 CE1 TYR A 118 -13.604 -7.400 3.683 1.00 0.00 C ATOM 1798 CE2 TYR A 118 -11.356 -6.590 3.801 1.00 0.00 C ATOM 1799 CZ TYR A 118 -12.519 -6.986 4.427 1.00 0.00 C ATOM 1800 OH TYR A 118 -12.598 -6.966 5.800 1.00 0.00 O ATOM 0 H TYR A 118 -10.627 -8.803 -0.436 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.418 -8.865 0.168 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -11.253 -6.811 -0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -12.913 -6.260 -0.263 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -14.372 -7.744 1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -10.368 -6.299 1.934 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -14.514 -7.709 4.176 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -10.508 -6.266 4.386 1.00 0.00 H new ATOM 0 HH TYR A 118 -11.748 -6.650 6.172 1.00 0.00 H new