USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 622 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 18 TYR OH : rot 36:sc= -0.194 USER MOD Set 1.2: A 75 THR OG1 : rot 134:sc= 0.208 USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 23 THR OG1 : rot -116:sc= 1.04 USER MOD Single : A 24 LYS NZ :NH3+ -102:sc= 0.883 (180deg=-0.34) USER MOD Single : A 25 GLN : amide:sc= -0.0164 K(o=-0.016,f=-5.7!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= 0.365 K(o=0.36,f=-4.1!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00964 USER MOD Single : A 76 LYS NZ :NH3+ 148:sc= 0.798 (180deg=0.395) USER MOD Single : A 78 THR OG1 : rot -110:sc= 0.109 USER MOD Single : A 79 TYR OH : rot -38:sc= 0.0232 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 29:sc= -1.13! USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.014) USER MOD Single : A 94 THR OG1 : rot -170:sc= -0.114 USER MOD Single : A 96 TYR OH : rot 118:sc= 0.257 USER MOD Single : A 97 CYS SG : rot -41:sc= -1.28 USER MOD Single : A 103 CYS SG : rot 30:sc= -3.05! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 70:sc= 0.272 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -12.443 9.255 1.378 1.00 0.00 N ATOM 131 CA ASN A 11 -12.113 8.547 2.613 1.00 0.00 C ATOM 132 C ASN A 11 -13.293 8.544 3.578 1.00 0.00 C ATOM 133 O ASN A 11 -13.121 8.396 4.793 1.00 0.00 O ATOM 134 CB ASN A 11 -10.882 9.175 3.279 1.00 0.00 C ATOM 135 CG ASN A 11 -9.596 8.902 2.518 1.00 0.00 C ATOM 136 OD1 ASN A 11 -8.925 7.899 2.750 1.00 0.00 O ATOM 137 ND2 ASN A 11 -9.246 9.792 1.608 1.00 0.00 N ATOM 0 HA ASN A 11 -11.884 7.513 2.356 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.029 10.252 3.360 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.787 8.789 4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.391 9.660 1.068 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.831 10.612 1.445 1.00 0.00 H new ATOM 144 N ALA A 12 -14.486 8.730 3.039 1.00 0.00 N ATOM 145 CA ALA A 12 -15.691 8.712 3.844 1.00 0.00 C ATOM 146 C ALA A 12 -16.243 7.295 3.953 1.00 0.00 C ATOM 147 O ALA A 12 -16.424 6.607 2.946 1.00 0.00 O ATOM 148 CB ALA A 12 -16.738 9.644 3.255 1.00 0.00 C ATOM 0 H ALA A 12 -14.644 8.895 2.045 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.439 9.061 4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.636 9.618 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.346 10.661 3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.984 9.322 2.243 1.00 0.00 H new ATOM 154 N VAL A 13 -16.514 6.872 5.172 1.00 0.00 N ATOM 155 CA VAL A 13 -17.029 5.534 5.433 1.00 0.00 C ATOM 156 C VAL A 13 -18.254 5.593 6.322 1.00 0.00 C ATOM 157 O VAL A 13 -18.537 6.626 6.938 1.00 0.00 O ATOM 158 CB VAL A 13 -15.970 4.625 6.104 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.812 4.363 5.161 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.471 5.248 7.402 1.00 0.00 C ATOM 0 H VAL A 13 -16.386 7.440 6.009 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.292 5.108 4.465 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.442 3.671 6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.080 3.722 5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.180 3.869 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.343 5.309 4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.728 4.594 7.858 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.020 6.217 7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.308 5.379 8.088 1.00 0.00 H new ATOM 170 N VAL A 14 -18.985 4.500 6.381 1.00 0.00 N ATOM 171 CA VAL A 14 -20.167 4.423 7.212 1.00 0.00 C ATOM 172 C VAL A 14 -19.967 3.370 8.290 1.00 0.00 C ATOM 173 O VAL A 14 -19.607 2.231 7.993 1.00 0.00 O ATOM 174 CB VAL A 14 -21.429 4.066 6.378 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.667 3.998 7.264 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.635 5.074 5.262 1.00 0.00 C ATOM 0 H VAL A 14 -18.779 3.648 5.860 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.321 5.403 7.665 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.271 3.083 5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.536 3.747 6.656 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.526 3.234 8.029 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.826 4.965 7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.523 4.807 4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.764 6.068 5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.766 5.072 4.605 1.00 0.00 H new ATOM 186 N VAL A 15 -20.179 3.756 9.536 1.00 0.00 N ATOM 187 CA VAL A 15 -20.051 2.835 10.651 1.00 0.00 C ATOM 188 C VAL A 15 -21.418 2.644 11.280 1.00 0.00 C ATOM 189 O VAL A 15 -22.115 3.612 11.550 1.00 0.00 O ATOM 190 CB VAL A 15 -19.070 3.362 11.730 1.00 0.00 C ATOM 191 CG1 VAL A 15 -18.818 2.302 12.791 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.763 3.819 11.103 1.00 0.00 C ATOM 0 H VAL A 15 -20.442 4.705 9.801 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.655 1.893 10.271 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.530 4.225 12.211 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.127 2.692 13.538 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.760 2.037 13.271 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.386 1.416 12.325 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.094 4.184 11.882 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.295 2.981 10.586 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.962 4.620 10.391 1.00 0.00 H new ATOM 202 N PHE A 16 -21.805 1.413 11.503 1.00 0.00 N ATOM 203 CA PHE A 16 -23.118 1.133 12.054 1.00 0.00 C ATOM 204 C PHE A 16 -23.088 -0.037 13.019 1.00 0.00 C ATOM 205 O PHE A 16 -22.126 -0.802 13.058 1.00 0.00 O ATOM 206 CB PHE A 16 -24.129 0.875 10.926 1.00 0.00 C ATOM 207 CG PHE A 16 -23.703 -0.189 9.940 1.00 0.00 C ATOM 208 CD1 PHE A 16 -23.891 -1.534 10.219 1.00 0.00 C ATOM 209 CD2 PHE A 16 -23.123 0.164 8.731 1.00 0.00 C ATOM 210 CE1 PHE A 16 -23.508 -2.505 9.314 1.00 0.00 C ATOM 211 CE2 PHE A 16 -22.739 -0.803 7.823 1.00 0.00 C ATOM 212 CZ PHE A 16 -22.931 -2.138 8.115 1.00 0.00 C ATOM 0 H PHE A 16 -21.236 0.588 11.314 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.432 2.012 12.617 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.082 0.584 11.368 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.299 1.807 10.386 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -24.343 -1.826 11.156 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -22.970 1.207 8.497 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -23.660 -3.549 9.544 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -22.289 -0.515 6.885 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.630 -2.895 7.406 1.00 0.00 H new ATOM 222 N GLY A 17 -24.147 -0.167 13.795 1.00 0.00 N ATOM 223 CA GLY A 17 -24.240 -1.259 14.737 1.00 0.00 C ATOM 224 C GLY A 17 -24.265 -0.790 16.172 1.00 0.00 C ATOM 225 O GLY A 17 -24.487 -1.582 17.085 1.00 0.00 O ATOM 0 H GLY A 17 -24.947 0.465 13.790 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.142 -1.835 14.531 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.394 -1.931 14.593 1.00 0.00 H new ATOM 229 N TYR A 18 -24.060 0.498 16.378 1.00 0.00 N ATOM 230 CA TYR A 18 -24.054 1.048 17.718 1.00 0.00 C ATOM 231 C TYR A 18 -25.099 2.147 17.866 1.00 0.00 C ATOM 232 O TYR A 18 -25.764 2.517 16.901 1.00 0.00 O ATOM 233 CB TYR A 18 -22.659 1.570 18.106 1.00 0.00 C ATOM 234 CG TYR A 18 -22.125 2.702 17.245 1.00 0.00 C ATOM 235 CD1 TYR A 18 -22.516 4.018 17.469 1.00 0.00 C ATOM 236 CD2 TYR A 18 -21.213 2.458 16.226 1.00 0.00 C ATOM 237 CE1 TYR A 18 -22.018 5.050 16.703 1.00 0.00 C ATOM 238 CE2 TYR A 18 -20.715 3.491 15.457 1.00 0.00 C ATOM 239 CZ TYR A 18 -21.120 4.783 15.701 1.00 0.00 C ATOM 240 OH TYR A 18 -20.619 5.811 14.942 1.00 0.00 O ATOM 0 H TYR A 18 -23.896 1.179 15.637 1.00 0.00 H new ATOM 0 HA TYR A 18 -24.311 0.239 18.402 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -22.691 1.908 19.142 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -21.954 0.740 18.063 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -23.222 4.235 18.257 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -20.889 1.446 16.033 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -22.334 6.066 16.891 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -20.009 3.285 14.666 1.00 0.00 H new ATOM 0 HH TYR A 18 -20.500 6.605 15.504 1.00 0.00 H new ATOM 250 N ARG A 19 -25.238 2.658 19.082 1.00 0.00 N ATOM 251 CA ARG A 19 -26.206 3.705 19.375 1.00 0.00 C ATOM 252 C ARG A 19 -25.577 4.778 20.259 1.00 0.00 C ATOM 253 O ARG A 19 -24.513 4.556 20.847 1.00 0.00 O ATOM 254 CB ARG A 19 -27.432 3.113 20.078 1.00 0.00 C ATOM 255 CG ARG A 19 -27.148 2.532 21.456 1.00 0.00 C ATOM 256 CD ARG A 19 -28.428 2.035 22.111 1.00 0.00 C ATOM 257 NE ARG A 19 -29.051 0.944 21.356 1.00 0.00 N ATOM 258 CZ ARG A 19 -30.336 0.597 21.465 1.00 0.00 C ATOM 259 NH1 ARG A 19 -31.140 1.264 22.291 1.00 0.00 N ATOM 260 NH2 ARG A 19 -30.820 -0.406 20.742 1.00 0.00 N ATOM 0 H ARG A 19 -24.687 2.361 19.887 1.00 0.00 H new ATOM 0 HA ARG A 19 -26.518 4.158 18.434 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -28.191 3.890 20.174 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -27.855 2.331 19.447 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -26.437 1.711 21.369 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -26.683 3.291 22.086 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -28.207 1.694 23.123 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -29.133 2.862 22.200 1.00 0.00 H new ATOM 0 HE ARG A 19 -28.467 0.417 20.707 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -30.775 2.041 22.841 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -32.121 0.998 22.373 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -30.210 -0.914 20.101 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -31.802 -0.669 20.827 1.00 0.00 H new ATOM 274 N GLU A 20 -26.236 5.935 20.348 1.00 0.00 N ATOM 275 CA GLU A 20 -25.768 7.036 21.191 1.00 0.00 C ATOM 276 C GLU A 20 -25.922 6.650 22.666 1.00 0.00 C ATOM 277 O GLU A 20 -26.942 6.923 23.297 1.00 0.00 O ATOM 278 CB GLU A 20 -26.561 8.325 20.866 1.00 0.00 C ATOM 279 CG GLU A 20 -26.087 9.585 21.589 1.00 0.00 C ATOM 280 CD GLU A 20 -24.694 10.037 21.170 1.00 0.00 C ATOM 281 OE1 GLU A 20 -24.485 10.322 19.975 1.00 0.00 O ATOM 282 OE2 GLU A 20 -23.814 10.129 22.047 1.00 0.00 O ATOM 0 H GLU A 20 -27.100 6.134 19.844 1.00 0.00 H new ATOM 0 HA GLU A 20 -24.714 7.230 20.991 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -26.510 8.502 19.792 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -27.610 8.158 21.112 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -26.795 10.392 21.399 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -26.093 9.402 22.664 1.00 0.00 H new ATOM 289 N ALA A 21 -24.913 5.962 23.172 1.00 0.00 N ATOM 290 CA ALA A 21 -24.881 5.468 24.546 1.00 0.00 C ATOM 291 C ALA A 21 -23.501 4.915 24.840 1.00 0.00 C ATOM 292 O ALA A 21 -22.964 5.075 25.933 1.00 0.00 O ATOM 293 CB ALA A 21 -25.934 4.380 24.748 1.00 0.00 C ATOM 0 H ALA A 21 -24.079 5.725 22.635 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.102 6.289 25.228 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -25.896 4.023 25.777 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -26.923 4.788 24.542 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -25.735 3.551 24.069 1.00 0.00 H new ATOM 299 N ILE A 22 -22.929 4.277 23.823 1.00 0.00 N ATOM 300 CA ILE A 22 -21.589 3.696 23.893 1.00 0.00 C ATOM 301 C ILE A 22 -20.559 4.749 23.516 1.00 0.00 C ATOM 302 O ILE A 22 -19.379 4.450 23.308 1.00 0.00 O ATOM 303 CB ILE A 22 -21.475 2.481 22.920 1.00 0.00 C ATOM 304 CG1 ILE A 22 -21.777 2.890 21.451 1.00 0.00 C ATOM 305 CG2 ILE A 22 -22.432 1.375 23.350 1.00 0.00 C ATOM 306 CD1 ILE A 22 -20.591 3.461 20.673 1.00 0.00 C ATOM 0 H ILE A 22 -23.385 4.147 22.920 1.00 0.00 H new ATOM 0 HA ILE A 22 -21.405 3.351 24.911 1.00 0.00 H new ATOM 0 HB ILE A 22 -20.448 2.118 22.965 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -22.153 2.016 20.918 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -22.578 3.630 21.455 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -22.345 0.532 22.665 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -22.182 1.049 24.360 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -23.455 1.752 23.333 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -20.908 3.714 19.661 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -20.225 4.357 21.174 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -19.794 2.719 20.629 1.00 0.00 H new ATOM 318 N THR A 23 -21.040 5.979 23.461 1.00 0.00 N ATOM 319 CA THR A 23 -20.307 7.130 23.007 1.00 0.00 C ATOM 320 C THR A 23 -18.898 7.219 23.564 1.00 0.00 C ATOM 321 O THR A 23 -17.942 6.965 22.853 1.00 0.00 O ATOM 322 CB THR A 23 -21.061 8.395 23.392 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.453 8.222 23.078 1.00 0.00 O ATOM 324 CG2 THR A 23 -20.502 9.588 22.648 1.00 0.00 C ATOM 0 H THR A 23 -21.993 6.204 23.745 1.00 0.00 H new ATOM 0 HA THR A 23 -20.218 7.027 21.926 1.00 0.00 H new ATOM 0 HB THR A 23 -20.946 8.576 24.461 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.716 8.868 22.389 1.00 0.00 H new ATOM 0 HG21 THR A 23 -21.051 10.485 22.934 1.00 0.00 H new ATOM 0 HG22 THR A 23 -19.449 9.712 22.899 1.00 0.00 H new ATOM 0 HG23 THR A 23 -20.603 9.427 21.575 1.00 0.00 H new ATOM 332 N LYS A 24 -18.783 7.551 24.838 1.00 0.00 N ATOM 333 CA LYS A 24 -17.498 7.767 25.461 1.00 0.00 C ATOM 334 C LYS A 24 -16.634 6.507 25.418 1.00 0.00 C ATOM 335 O LYS A 24 -15.413 6.585 25.264 1.00 0.00 O ATOM 336 CB LYS A 24 -17.684 8.227 26.901 1.00 0.00 C ATOM 337 CG LYS A 24 -18.653 9.398 27.070 1.00 0.00 C ATOM 338 CD LYS A 24 -18.369 10.529 26.090 1.00 0.00 C ATOM 339 CE LYS A 24 -19.032 11.810 26.532 1.00 0.00 C ATOM 340 NZ LYS A 24 -18.867 12.884 25.530 1.00 0.00 N ATOM 0 H LYS A 24 -19.578 7.677 25.464 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.981 8.545 24.899 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -18.042 7.386 27.495 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.713 8.513 27.307 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -19.674 9.045 26.928 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -18.586 9.778 28.089 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.293 10.682 26.009 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -18.728 10.254 25.098 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -20.094 11.631 26.702 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.607 12.131 27.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.120 13.537 25.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.603 12.467 24.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -19.762 13.404 25.428 1.00 0.00 H new ATOM 354 N GLN A 25 -17.274 5.359 25.548 1.00 0.00 N ATOM 355 CA GLN A 25 -16.578 4.082 25.566 1.00 0.00 C ATOM 356 C GLN A 25 -15.822 3.839 24.253 1.00 0.00 C ATOM 357 O GLN A 25 -14.601 3.665 24.256 1.00 0.00 O ATOM 358 CB GLN A 25 -17.573 2.934 25.814 1.00 0.00 C ATOM 359 CG GLN A 25 -18.212 2.920 27.204 1.00 0.00 C ATOM 360 CD GLN A 25 -19.143 4.094 27.457 1.00 0.00 C ATOM 361 OE1 GLN A 25 -19.760 4.627 26.535 1.00 0.00 O ATOM 362 NE2 GLN A 25 -19.251 4.505 28.703 1.00 0.00 N ATOM 0 H GLN A 25 -18.287 5.284 25.644 1.00 0.00 H new ATOM 0 HA GLN A 25 -15.852 4.112 26.378 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.365 2.992 25.067 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.057 1.986 25.658 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.769 1.992 27.329 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -17.424 2.923 27.957 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -18.724 4.039 29.441 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -19.862 5.290 28.930 1.00 0.00 H new ATOM 371 N ILE A 26 -16.546 3.846 23.138 1.00 0.00 N ATOM 372 CA ILE A 26 -15.941 3.631 21.833 1.00 0.00 C ATOM 373 C ILE A 26 -15.072 4.829 21.437 1.00 0.00 C ATOM 374 O ILE A 26 -14.107 4.697 20.668 1.00 0.00 O ATOM 375 CB ILE A 26 -17.014 3.375 20.744 1.00 0.00 C ATOM 376 CG1 ILE A 26 -16.418 2.556 19.615 1.00 0.00 C ATOM 377 CG2 ILE A 26 -17.570 4.690 20.203 1.00 0.00 C ATOM 378 CD1 ILE A 26 -17.425 2.122 18.570 1.00 0.00 C ATOM 0 H ILE A 26 -17.554 3.999 23.115 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.313 2.743 21.907 1.00 0.00 H new ATOM 0 HB ILE A 26 -17.836 2.820 21.196 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -15.636 3.140 19.130 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -15.941 1.670 20.035 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.321 4.481 19.441 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.026 5.254 21.016 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.761 5.274 19.765 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.921 1.542 17.798 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.195 1.510 19.039 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -17.885 3.002 18.120 1.00 0.00 H new ATOM 390 N LEU A 27 -15.421 5.986 21.984 1.00 0.00 N ATOM 391 CA LEU A 27 -14.743 7.226 21.695 1.00 0.00 C ATOM 392 C LEU A 27 -13.290 7.130 22.104 1.00 0.00 C ATOM 393 O LEU A 27 -12.421 7.556 21.379 1.00 0.00 O ATOM 394 CB LEU A 27 -15.462 8.391 22.419 1.00 0.00 C ATOM 395 CG LEU A 27 -14.959 9.817 22.168 1.00 0.00 C ATOM 396 CD1 LEU A 27 -16.058 10.811 22.494 1.00 0.00 C ATOM 397 CD2 LEU A 27 -13.735 10.119 23.011 1.00 0.00 C ATOM 0 H LEU A 27 -16.191 6.083 22.646 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.773 7.421 20.623 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.516 8.356 22.143 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.407 8.202 23.491 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.683 9.903 21.117 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.697 11.824 22.315 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.924 10.617 21.861 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.343 10.708 23.541 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.399 11.137 22.813 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.987 10.019 24.067 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.938 9.419 22.760 1.00 0.00 H new ATOM 409 N ALA A 28 -13.034 6.525 23.246 1.00 0.00 N ATOM 410 CA ALA A 28 -11.669 6.388 23.743 1.00 0.00 C ATOM 411 C ALA A 28 -10.759 5.668 22.736 1.00 0.00 C ATOM 412 O ALA A 28 -9.544 5.860 22.745 1.00 0.00 O ATOM 413 CB ALA A 28 -11.660 5.664 25.080 1.00 0.00 C ATOM 0 H ALA A 28 -13.748 6.119 23.851 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.271 7.393 23.881 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.634 5.570 25.436 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.245 6.230 25.804 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.094 4.671 24.959 1.00 0.00 H new ATOM 419 N TYR A 29 -11.348 4.850 21.868 1.00 0.00 N ATOM 420 CA TYR A 29 -10.574 4.115 20.877 1.00 0.00 C ATOM 421 C TYR A 29 -10.442 4.880 19.538 1.00 0.00 C ATOM 422 O TYR A 29 -9.341 5.032 19.017 1.00 0.00 O ATOM 423 CB TYR A 29 -11.189 2.728 20.632 1.00 0.00 C ATOM 424 CG TYR A 29 -10.413 1.874 19.646 1.00 0.00 C ATOM 425 CD1 TYR A 29 -9.279 1.171 20.041 1.00 0.00 C ATOM 426 CD2 TYR A 29 -10.813 1.775 18.321 1.00 0.00 C ATOM 427 CE1 TYR A 29 -8.571 0.395 19.138 1.00 0.00 C ATOM 428 CE2 TYR A 29 -10.113 1.003 17.419 1.00 0.00 C ATOM 429 CZ TYR A 29 -8.994 0.317 17.830 1.00 0.00 C ATOM 430 OH TYR A 29 -8.292 -0.445 16.923 1.00 0.00 O ATOM 0 H TYR A 29 -12.353 4.681 21.832 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.570 4.001 21.285 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.255 2.198 21.582 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.208 2.853 20.265 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.946 1.231 21.067 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.689 2.313 17.990 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.692 -0.146 19.458 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.442 0.937 16.393 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.726 -0.392 16.046 1.00 0.00 H new ATOM 440 N PHE A 30 -11.557 5.375 19.003 1.00 0.00 N ATOM 441 CA PHE A 30 -11.548 6.020 17.672 1.00 0.00 C ATOM 442 C PHE A 30 -11.282 7.526 17.720 1.00 0.00 C ATOM 443 O PHE A 30 -11.069 8.156 16.680 1.00 0.00 O ATOM 444 CB PHE A 30 -12.852 5.747 16.916 1.00 0.00 C ATOM 445 CG PHE A 30 -12.969 4.348 16.370 1.00 0.00 C ATOM 446 CD1 PHE A 30 -12.368 4.010 15.164 1.00 0.00 C ATOM 447 CD2 PHE A 30 -13.676 3.376 17.055 1.00 0.00 C ATOM 448 CE1 PHE A 30 -12.471 2.729 14.654 1.00 0.00 C ATOM 449 CE2 PHE A 30 -13.783 2.091 16.549 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.179 1.767 15.346 1.00 0.00 C ATOM 0 H PHE A 30 -12.471 5.348 19.456 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.713 5.568 17.137 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.692 5.935 17.584 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.936 6.455 16.091 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.813 4.758 14.617 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.149 3.622 17.994 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.998 2.481 13.715 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -14.338 1.341 17.093 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.261 0.765 14.951 1.00 0.00 H new ATOM 460 N ALA A 31 -11.269 8.107 18.910 1.00 0.00 N ATOM 461 CA ALA A 31 -11.048 9.550 19.048 1.00 0.00 C ATOM 462 C ALA A 31 -9.634 9.952 18.668 1.00 0.00 C ATOM 463 O ALA A 31 -9.305 11.135 18.678 1.00 0.00 O ATOM 464 CB ALA A 31 -11.380 10.039 20.438 1.00 0.00 C ATOM 0 H ALA A 31 -11.407 7.612 19.791 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.730 10.031 18.347 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.203 11.113 20.498 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.428 9.832 20.656 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.750 9.526 21.164 1.00 0.00 H new ATOM 470 N GLN A 32 -8.797 8.960 18.354 1.00 0.00 N ATOM 471 CA GLN A 32 -7.443 9.216 17.891 1.00 0.00 C ATOM 472 C GLN A 32 -7.482 10.132 16.685 1.00 0.00 C ATOM 473 O GLN A 32 -6.661 11.032 16.545 1.00 0.00 O ATOM 474 CB GLN A 32 -6.757 7.923 17.515 1.00 0.00 C ATOM 475 CG GLN A 32 -6.545 7.004 18.685 1.00 0.00 C ATOM 476 CD GLN A 32 -5.691 5.834 18.320 1.00 0.00 C ATOM 477 OE1 GLN A 32 -6.175 4.809 17.851 1.00 0.00 O ATOM 478 NE2 GLN A 32 -4.411 5.983 18.531 1.00 0.00 N ATOM 0 H GLN A 32 -9.040 7.971 18.414 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.884 9.690 18.698 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.353 7.409 16.761 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.793 8.150 17.060 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.078 7.555 19.501 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.509 6.651 19.050 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.057 6.855 18.923 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.765 5.227 18.303 1.00 0.00 H new ATOM 487 N PHE A 33 -8.458 9.890 15.814 1.00 0.00 N ATOM 488 CA PHE A 33 -8.651 10.706 14.634 1.00 0.00 C ATOM 489 C PHE A 33 -9.882 11.596 14.809 1.00 0.00 C ATOM 490 O PHE A 33 -10.126 12.497 14.018 1.00 0.00 O ATOM 491 CB PHE A 33 -8.781 9.823 13.395 1.00 0.00 C ATOM 492 CG PHE A 33 -7.544 9.008 13.124 1.00 0.00 C ATOM 493 CD1 PHE A 33 -6.462 9.569 12.462 1.00 0.00 C ATOM 494 CD2 PHE A 33 -7.460 7.686 13.536 1.00 0.00 C ATOM 495 CE1 PHE A 33 -5.321 8.830 12.218 1.00 0.00 C ATOM 496 CE2 PHE A 33 -6.319 6.941 13.296 1.00 0.00 C ATOM 497 CZ PHE A 33 -5.249 7.514 12.636 1.00 0.00 C ATOM 0 H PHE A 33 -9.129 9.128 15.911 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.782 11.349 14.498 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.631 9.153 13.520 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.994 10.450 12.529 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.512 10.597 12.133 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.295 7.233 14.050 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.486 9.280 11.701 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.265 5.913 13.624 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.357 6.935 12.447 1.00 0.00 H new ATOM 507 N GLY A 34 -10.645 11.326 15.866 1.00 0.00 N ATOM 508 CA GLY A 34 -11.792 12.154 16.210 1.00 0.00 C ATOM 509 C GLY A 34 -13.068 11.803 15.463 1.00 0.00 C ATOM 510 O GLY A 34 -13.041 11.062 14.489 1.00 0.00 O ATOM 0 H GLY A 34 -10.487 10.540 16.497 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.978 12.069 17.281 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.544 13.197 16.011 1.00 0.00 H new ATOM 514 N GLU A 35 -14.193 12.363 15.961 1.00 0.00 N ATOM 515 CA GLU A 35 -15.529 12.202 15.363 1.00 0.00 C ATOM 516 C GLU A 35 -16.044 10.749 15.450 1.00 0.00 C ATOM 517 O GLU A 35 -15.496 9.847 14.836 1.00 0.00 O ATOM 518 CB GLU A 35 -15.530 12.722 13.914 1.00 0.00 C ATOM 519 CG GLU A 35 -16.886 12.748 13.260 1.00 0.00 C ATOM 520 CD GLU A 35 -16.869 13.401 11.882 1.00 0.00 C ATOM 521 OE1 GLU A 35 -16.454 12.731 10.901 1.00 0.00 O ATOM 522 OE2 GLU A 35 -17.274 14.588 11.779 1.00 0.00 O ATOM 0 H GLU A 35 -14.194 12.945 16.799 1.00 0.00 H new ATOM 0 HA GLU A 35 -16.227 12.803 15.946 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.116 13.730 13.903 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.865 12.098 13.317 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -17.259 11.728 13.168 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -17.583 13.286 13.903 1.00 0.00 H new ATOM 529 N ILE A 36 -17.099 10.534 16.249 1.00 0.00 N ATOM 530 CA ILE A 36 -17.673 9.194 16.385 1.00 0.00 C ATOM 531 C ILE A 36 -19.194 9.255 16.573 1.00 0.00 C ATOM 532 O ILE A 36 -19.944 8.530 15.918 1.00 0.00 O ATOM 533 CB ILE A 36 -17.021 8.391 17.563 1.00 0.00 C ATOM 534 CG1 ILE A 36 -17.284 6.901 17.419 1.00 0.00 C ATOM 535 CG2 ILE A 36 -17.413 8.904 18.941 1.00 0.00 C ATOM 536 CD1 ILE A 36 -16.484 6.281 16.307 1.00 0.00 C ATOM 0 H ILE A 36 -17.562 11.257 16.800 1.00 0.00 H new ATOM 0 HA ILE A 36 -17.455 8.667 15.456 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.946 8.557 17.488 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.045 6.401 18.357 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.346 6.739 17.233 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.925 8.301 19.706 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -17.101 9.943 19.045 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.494 8.836 19.061 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.709 5.216 16.247 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.742 6.760 15.362 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.421 6.417 16.504 1.00 0.00 H new ATOM 548 N LEU A 37 -19.626 10.117 17.477 1.00 0.00 N ATOM 549 CA LEU A 37 -21.029 10.295 17.809 1.00 0.00 C ATOM 550 C LEU A 37 -21.275 11.758 18.109 1.00 0.00 C ATOM 551 O LEU A 37 -20.391 12.588 17.880 1.00 0.00 O ATOM 552 CB LEU A 37 -21.421 9.443 19.028 1.00 0.00 C ATOM 553 CG LEU A 37 -21.599 7.935 18.803 1.00 0.00 C ATOM 554 CD1 LEU A 37 -20.285 7.209 18.806 1.00 0.00 C ATOM 555 CD2 LEU A 37 -22.477 7.363 19.854 1.00 0.00 C ATOM 0 H LEU A 37 -19.002 10.723 18.010 1.00 0.00 H new ATOM 0 HA LEU A 37 -21.637 9.973 16.964 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.660 9.582 19.796 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.355 9.837 19.429 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.057 7.805 17.822 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -20.457 6.145 18.644 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.651 7.600 18.010 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.791 7.354 19.767 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -22.597 6.293 19.685 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -22.027 7.528 20.833 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -23.453 7.848 19.817 1.00 0.00 H new ATOM 567 N GLU A 38 -22.448 12.084 18.631 1.00 0.00 N ATOM 568 CA GLU A 38 -22.769 13.467 18.914 1.00 0.00 C ATOM 569 C GLU A 38 -22.186 13.952 20.233 1.00 0.00 C ATOM 570 O GLU A 38 -21.572 15.009 20.283 1.00 0.00 O ATOM 571 CB GLU A 38 -24.271 13.709 18.893 1.00 0.00 C ATOM 572 CG GLU A 38 -24.893 13.587 17.521 1.00 0.00 C ATOM 573 CD GLU A 38 -26.350 13.979 17.519 1.00 0.00 C ATOM 574 OE1 GLU A 38 -26.643 15.177 17.699 1.00 0.00 O ATOM 575 OE2 GLU A 38 -27.215 13.094 17.322 1.00 0.00 O ATOM 0 H GLU A 38 -23.183 11.416 18.863 1.00 0.00 H new ATOM 0 HA GLU A 38 -22.305 14.047 18.116 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -24.753 12.998 19.564 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -24.474 14.705 19.286 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -24.348 14.218 16.819 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -24.794 12.560 17.169 1.00 0.00 H new ATOM 582 N ASP A 39 -22.359 13.189 21.295 1.00 0.00 N ATOM 583 CA ASP A 39 -21.909 13.648 22.604 1.00 0.00 C ATOM 584 C ASP A 39 -20.381 13.607 22.695 1.00 0.00 C ATOM 585 O ASP A 39 -19.765 12.545 22.683 1.00 0.00 O ATOM 586 CB ASP A 39 -22.562 12.846 23.724 1.00 0.00 C ATOM 587 CG ASP A 39 -22.412 13.525 25.062 1.00 0.00 C ATOM 588 OD1 ASP A 39 -23.130 14.518 25.309 1.00 0.00 O ATOM 589 OD2 ASP A 39 -21.583 13.083 25.863 1.00 0.00 O ATOM 0 H ASP A 39 -22.797 12.268 21.285 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.221 14.685 22.728 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.621 12.709 23.503 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -22.114 11.853 23.768 1.00 0.00 H new ATOM 594 N LEU A 40 -19.791 14.778 22.834 1.00 0.00 N ATOM 595 CA LEU A 40 -18.362 14.960 22.757 1.00 0.00 C ATOM 596 C LEU A 40 -17.952 16.083 23.705 1.00 0.00 C ATOM 597 O LEU A 40 -18.193 17.262 23.420 1.00 0.00 O ATOM 598 CB LEU A 40 -17.989 15.355 21.314 1.00 0.00 C ATOM 599 CG LEU A 40 -16.786 14.650 20.684 1.00 0.00 C ATOM 600 CD1 LEU A 40 -15.573 14.694 21.598 1.00 0.00 C ATOM 601 CD2 LEU A 40 -17.143 13.220 20.300 1.00 0.00 C ATOM 0 H LEU A 40 -20.304 15.643 23.007 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.851 14.038 23.035 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.857 15.174 20.679 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -17.799 16.428 21.296 1.00 0.00 H new ATOM 0 HG LEU A 40 -16.520 15.187 19.774 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.737 14.184 21.119 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -15.301 15.732 21.792 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.809 14.198 22.540 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.275 12.736 19.854 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.448 12.670 21.190 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.962 13.230 19.581 1.00 0.00 H new ATOM 1035 N SER A 67 -19.158 17.040 12.668 1.00 0.00 N ATOM 1036 CA SER A 67 -19.009 17.705 11.384 1.00 0.00 C ATOM 1037 C SER A 67 -19.696 16.916 10.263 1.00 0.00 C ATOM 1038 O SER A 67 -20.365 17.491 9.399 1.00 0.00 O ATOM 1039 CB SER A 67 -17.520 17.900 11.068 1.00 0.00 C ATOM 1040 OG SER A 67 -17.327 18.866 10.042 1.00 0.00 O ATOM 0 HA SER A 67 -19.493 18.680 11.446 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.994 18.215 11.969 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.085 16.949 10.761 1.00 0.00 H new ATOM 0 HG SER A 67 -16.369 18.968 9.865 1.00 0.00 H new ATOM 1046 N ARG A 68 -19.519 15.617 10.279 1.00 0.00 N ATOM 1047 CA ARG A 68 -20.103 14.749 9.269 1.00 0.00 C ATOM 1048 C ARG A 68 -21.565 14.426 9.611 1.00 0.00 C ATOM 1049 O ARG A 68 -21.967 14.478 10.773 1.00 0.00 O ATOM 1050 CB ARG A 68 -19.293 13.462 9.181 1.00 0.00 C ATOM 1051 CG ARG A 68 -19.590 12.604 7.967 1.00 0.00 C ATOM 1052 CD ARG A 68 -18.808 13.053 6.748 1.00 0.00 C ATOM 1053 NE ARG A 68 -19.369 14.232 6.098 1.00 0.00 N ATOM 1054 CZ ARG A 68 -18.693 15.005 5.242 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -17.420 14.736 4.960 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -19.297 16.032 4.657 1.00 0.00 N ATOM 0 H ARG A 68 -18.970 15.128 10.986 1.00 0.00 H new ATOM 0 HA ARG A 68 -20.082 15.262 8.307 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.233 13.716 9.178 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.477 12.872 10.079 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -19.348 11.565 8.190 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.657 12.643 7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -17.780 13.265 7.043 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -18.770 12.235 6.029 1.00 0.00 H new ATOM 0 HE ARG A 68 -20.335 14.482 6.309 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.958 13.939 5.397 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.906 15.327 4.307 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -20.276 16.231 4.861 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.782 16.622 4.004 1.00 0.00 H new ATOM 1070 N GLU A 69 -22.358 14.109 8.597 1.00 0.00 N ATOM 1071 CA GLU A 69 -23.748 13.765 8.803 1.00 0.00 C ATOM 1072 C GLU A 69 -23.877 12.362 9.397 1.00 0.00 C ATOM 1073 O GLU A 69 -23.096 11.461 9.076 1.00 0.00 O ATOM 1074 CB GLU A 69 -24.549 13.865 7.488 1.00 0.00 C ATOM 1075 CG GLU A 69 -24.061 12.932 6.377 1.00 0.00 C ATOM 1076 CD GLU A 69 -23.033 13.573 5.461 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -22.038 14.124 5.961 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -23.226 13.532 4.228 1.00 0.00 O ATOM 0 H GLU A 69 -22.057 14.084 7.623 1.00 0.00 H new ATOM 0 HA GLU A 69 -24.165 14.482 9.510 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -25.596 13.645 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -24.505 14.893 7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -23.629 12.038 6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -24.915 12.609 5.782 1.00 0.00 H new ATOM 1085 N HIS A 70 -24.861 12.184 10.249 1.00 0.00 N ATOM 1086 CA HIS A 70 -25.089 10.907 10.904 1.00 0.00 C ATOM 1087 C HIS A 70 -26.569 10.548 10.851 1.00 0.00 C ATOM 1088 O HIS A 70 -27.424 11.416 10.634 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.604 10.961 12.367 1.00 0.00 C ATOM 1090 CG HIS A 70 -25.459 11.808 13.266 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -25.561 13.176 13.139 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -26.271 11.470 14.295 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -26.395 13.638 14.046 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -26.840 12.624 14.762 1.00 0.00 N ATOM 0 H HIS A 70 -25.525 12.913 10.509 1.00 0.00 H new ATOM 0 HA HIS A 70 -24.522 10.138 10.379 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -24.571 9.947 12.765 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -23.584 11.345 12.386 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -26.439 10.474 14.677 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -26.669 14.674 14.181 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -27.500 12.689 15.537 1.00 0.00 H new ATOM 1102 N GLY A 71 -26.872 9.283 11.051 1.00 0.00 N ATOM 1103 CA GLY A 71 -28.241 8.843 11.008 1.00 0.00 C ATOM 1104 C GLY A 71 -28.757 8.446 12.367 1.00 0.00 C ATOM 1105 O GLY A 71 -28.814 9.270 13.278 1.00 0.00 O ATOM 0 H GLY A 71 -26.190 8.549 11.243 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -28.864 9.641 10.604 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -28.327 7.996 10.327 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.137 7.191 12.502 1.00 0.00 N ATOM 1110 CA ARG A 72 -29.679 6.689 13.755 1.00 0.00 C ATOM 1111 C ARG A 72 -28.730 5.714 14.392 1.00 0.00 C ATOM 1112 O ARG A 72 -28.067 6.032 15.373 1.00 0.00 O ATOM 1113 CB ARG A 72 -31.039 6.043 13.512 1.00 0.00 C ATOM 1114 CG ARG A 72 -32.080 7.007 12.962 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.391 6.301 12.669 1.00 0.00 C ATOM 1116 NE ARG A 72 -34.014 5.784 13.885 1.00 0.00 N ATOM 1117 CZ ARG A 72 -34.740 4.674 13.945 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -34.937 3.940 12.852 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -35.272 4.300 15.093 1.00 0.00 N ATOM 0 H ARG A 72 -29.081 6.496 11.758 1.00 0.00 H new ATOM 0 HA ARG A 72 -29.808 7.526 14.441 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -30.919 5.214 12.815 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -31.405 5.622 14.448 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -32.250 7.809 13.680 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -31.703 7.470 12.050 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -34.074 6.993 12.177 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -33.214 5.480 11.974 1.00 0.00 H new ATOM 0 HE ARG A 72 -33.882 6.312 14.748 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -34.529 4.230 11.963 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -35.496 3.088 12.904 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -35.125 4.863 15.931 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -35.830 3.448 15.143 1.00 0.00 H new ATOM 1133 N THR A 73 -28.650 4.545 13.823 1.00 0.00 N ATOM 1134 CA THR A 73 -27.771 3.528 14.316 1.00 0.00 C ATOM 1135 C THR A 73 -26.530 3.441 13.442 1.00 0.00 C ATOM 1136 O THR A 73 -25.744 2.486 13.531 1.00 0.00 O ATOM 1137 CB THR A 73 -28.484 2.182 14.343 1.00 0.00 C ATOM 1138 OG1 THR A 73 -29.150 1.953 13.089 1.00 0.00 O ATOM 1139 CG2 THR A 73 -29.500 2.123 15.476 1.00 0.00 C ATOM 0 H THR A 73 -29.193 4.272 13.004 1.00 0.00 H new ATOM 0 HA THR A 73 -27.472 3.788 15.331 1.00 0.00 H new ATOM 0 HB THR A 73 -27.735 1.407 14.508 1.00 0.00 H new ATOM 0 HG1 THR A 73 -29.604 1.085 13.114 1.00 0.00 H new ATOM 0 HG21 THR A 73 -29.994 1.151 15.472 1.00 0.00 H new ATOM 0 HG22 THR A 73 -28.991 2.267 16.429 1.00 0.00 H new ATOM 0 HG23 THR A 73 -30.243 2.908 15.339 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.364 4.458 12.601 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.261 4.528 11.672 1.00 0.00 C ATOM 1149 C TRP A 74 -24.681 5.936 11.637 1.00 0.00 C ATOM 1150 O TRP A 74 -25.420 6.931 11.683 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.730 4.108 10.273 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.969 4.829 9.793 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -28.267 4.534 10.114 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -27.026 5.942 8.887 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -29.122 5.399 9.476 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -28.386 6.273 8.715 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -26.059 6.695 8.214 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -28.800 7.319 7.891 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -26.471 7.730 7.397 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -27.830 8.037 7.244 1.00 0.00 C ATOM 0 H TRP A 74 -26.998 5.255 12.551 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.479 3.845 12.003 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.922 4.285 9.563 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -25.925 3.036 10.274 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.574 3.736 10.774 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -30.139 5.393 9.555 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -25.009 6.472 8.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -29.847 7.554 7.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -25.733 8.313 6.867 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -28.118 8.857 6.603 1.00 0.00 H new ATOM 1171 N THR A 75 -23.376 6.013 11.554 1.00 0.00 N ATOM 1172 CA THR A 75 -22.679 7.273 11.518 1.00 0.00 C ATOM 1173 C THR A 75 -21.682 7.297 10.351 1.00 0.00 C ATOM 1174 O THR A 75 -20.894 6.366 10.174 1.00 0.00 O ATOM 1175 CB THR A 75 -21.928 7.505 12.844 1.00 0.00 C ATOM 1176 OG1 THR A 75 -22.850 7.431 13.937 1.00 0.00 O ATOM 1177 CG2 THR A 75 -21.231 8.855 12.866 1.00 0.00 C ATOM 0 H THR A 75 -22.764 5.198 11.509 1.00 0.00 H new ATOM 0 HA THR A 75 -23.411 8.068 11.378 1.00 0.00 H new ATOM 0 HB THR A 75 -21.168 6.729 12.937 1.00 0.00 H new ATOM 0 HG1 THR A 75 -22.473 6.869 14.646 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.713 8.982 13.817 1.00 0.00 H new ATOM 0 HG22 THR A 75 -20.510 8.906 12.050 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.970 9.648 12.747 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.748 8.338 9.549 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.811 8.524 8.460 1.00 0.00 C ATOM 1187 C LYS A 76 -19.582 9.245 9.010 1.00 0.00 C ATOM 1188 O LYS A 76 -19.718 10.228 9.716 1.00 0.00 O ATOM 1189 CB LYS A 76 -21.473 9.350 7.349 1.00 0.00 C ATOM 1190 CG LYS A 76 -20.605 9.631 6.147 1.00 0.00 C ATOM 1191 CD LYS A 76 -21.361 10.503 5.161 1.00 0.00 C ATOM 1192 CE LYS A 76 -20.516 10.868 3.965 1.00 0.00 C ATOM 1193 NZ LYS A 76 -21.248 11.773 3.030 1.00 0.00 N ATOM 0 H LYS A 76 -22.448 9.075 9.632 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.513 7.564 8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -22.369 8.826 7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.799 10.301 7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.687 10.129 6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -20.314 8.695 5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -22.256 9.979 4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -21.693 11.413 5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.600 11.355 4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.220 9.961 3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -20.572 12.413 2.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.738 11.205 2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.945 12.332 3.562 1.00 0.00 H new ATOM 1207 N LEU A 77 -18.401 8.741 8.719 1.00 0.00 N ATOM 1208 CA LEU A 77 -17.175 9.345 9.238 1.00 0.00 C ATOM 1209 C LEU A 77 -16.186 9.659 8.121 1.00 0.00 C ATOM 1210 O LEU A 77 -15.980 8.846 7.213 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.516 8.418 10.269 1.00 0.00 C ATOM 1212 CG LEU A 77 -17.351 8.092 11.509 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -16.607 7.126 12.412 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.691 9.362 12.268 1.00 0.00 C ATOM 0 H LEU A 77 -18.256 7.920 8.131 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.452 10.283 9.719 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.257 7.482 9.774 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.582 8.875 10.595 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.278 7.620 11.184 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.216 6.905 13.289 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.405 6.203 11.869 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.665 7.575 12.728 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.285 9.112 13.147 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.771 9.857 12.580 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.261 10.030 11.622 1.00 0.00 H new ATOM 1226 N THR A 78 -15.603 10.843 8.164 1.00 0.00 N ATOM 1227 CA THR A 78 -14.589 11.219 7.204 1.00 0.00 C ATOM 1228 C THR A 78 -13.232 11.350 7.885 1.00 0.00 C ATOM 1229 O THR A 78 -12.944 12.352 8.533 1.00 0.00 O ATOM 1230 CB THR A 78 -14.949 12.524 6.465 1.00 0.00 C ATOM 1231 OG1 THR A 78 -16.155 12.321 5.718 1.00 0.00 O ATOM 1232 CG2 THR A 78 -13.835 12.940 5.510 1.00 0.00 C ATOM 0 H THR A 78 -15.817 11.561 8.857 1.00 0.00 H new ATOM 0 HA THR A 78 -14.537 10.426 6.458 1.00 0.00 H new ATOM 0 HB THR A 78 -15.084 13.314 7.204 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.949 12.316 4.760 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.116 13.863 5.003 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.915 13.101 6.072 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.676 12.154 4.772 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.415 10.325 7.744 1.00 0.00 N ATOM 1241 CA TYR A 79 -11.090 10.310 8.348 1.00 0.00 C ATOM 1242 C TYR A 79 -10.093 11.139 7.539 1.00 0.00 C ATOM 1243 O TYR A 79 -9.071 11.585 8.070 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.592 8.878 8.515 1.00 0.00 C ATOM 1245 CG TYR A 79 -11.371 8.073 9.532 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -11.039 8.123 10.880 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -12.432 7.264 9.148 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -11.741 7.389 11.814 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -13.139 6.528 10.077 1.00 0.00 C ATOM 1250 CZ TYR A 79 -12.789 6.593 11.408 1.00 0.00 C ATOM 1251 OH TYR A 79 -13.487 5.855 12.331 1.00 0.00 O ATOM 0 H TYR A 79 -12.644 9.485 7.213 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.172 10.766 9.334 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.641 8.372 7.551 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.543 8.901 8.810 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.218 8.746 11.202 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.709 7.210 8.105 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.470 7.438 12.858 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.963 5.904 9.762 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.868 5.501 13.003 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.386 11.301 6.240 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.558 12.099 5.301 1.00 0.00 C ATOM 1263 C ALA A 80 -8.226 11.417 4.953 1.00 0.00 C ATOM 1264 O ALA A 80 -7.738 11.531 3.829 1.00 0.00 O ATOM 1265 CB ALA A 80 -9.320 13.511 5.834 1.00 0.00 C ATOM 0 H ALA A 80 -11.207 10.883 5.802 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.129 12.169 4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.711 14.070 5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.277 14.016 5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.802 13.456 6.792 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.653 10.712 5.908 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.388 10.027 5.706 1.00 0.00 C ATOM 1273 C ASN A 81 -6.611 8.556 5.454 1.00 0.00 C ATOM 1274 O ASN A 81 -7.470 7.932 6.086 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.470 10.225 6.912 1.00 0.00 C ATOM 1276 CG ASN A 81 -4.999 11.655 7.040 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -3.950 12.024 6.510 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -5.770 12.473 7.732 1.00 0.00 N ATOM 0 H ASN A 81 -8.047 10.597 6.842 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.906 10.458 4.828 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.998 9.935 7.820 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.606 9.566 6.822 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.505 13.452 7.844 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.631 12.127 8.155 1.00 0.00 H new ATOM 1285 N HIS A 82 -5.826 7.998 4.547 1.00 0.00 N ATOM 1286 CA HIS A 82 -5.962 6.596 4.169 1.00 0.00 C ATOM 1287 C HIS A 82 -5.609 5.672 5.329 1.00 0.00 C ATOM 1288 O HIS A 82 -6.213 4.611 5.492 1.00 0.00 O ATOM 1289 CB HIS A 82 -5.112 6.267 2.939 1.00 0.00 C ATOM 1290 CG HIS A 82 -5.360 4.889 2.396 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -6.498 4.557 1.697 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -4.621 3.752 2.464 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -6.454 3.281 1.362 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -5.328 2.772 1.812 1.00 0.00 N ATOM 0 H HIS A 82 -5.084 8.495 4.055 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.008 6.429 3.911 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.316 7.000 2.158 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -4.058 6.363 3.198 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -3.659 3.640 2.941 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.214 2.746 0.812 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.028 1.804 1.695 1.00 0.00 H new ATOM 1302 N SER A 83 -4.629 6.076 6.129 1.00 0.00 N ATOM 1303 CA SER A 83 -4.204 5.283 7.273 1.00 0.00 C ATOM 1304 C SER A 83 -5.382 5.049 8.221 1.00 0.00 C ATOM 1305 O SER A 83 -5.623 3.933 8.670 1.00 0.00 O ATOM 1306 CB SER A 83 -3.085 6.022 8.010 1.00 0.00 C ATOM 1307 OG SER A 83 -2.040 6.378 7.118 1.00 0.00 O ATOM 0 H SER A 83 -4.115 6.948 6.005 1.00 0.00 H new ATOM 0 HA SER A 83 -3.839 4.317 6.925 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.486 6.918 8.483 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.690 5.391 8.806 1.00 0.00 H new ATOM 0 HG SER A 83 -1.337 6.851 7.610 1.00 0.00 H new ATOM 1313 N SER A 84 -6.119 6.109 8.497 1.00 0.00 N ATOM 1314 CA SER A 84 -7.287 6.034 9.347 1.00 0.00 C ATOM 1315 C SER A 84 -8.469 5.376 8.624 1.00 0.00 C ATOM 1316 O SER A 84 -9.285 4.698 9.241 1.00 0.00 O ATOM 1317 CB SER A 84 -7.643 7.427 9.845 1.00 0.00 C ATOM 1318 OG SER A 84 -7.511 8.384 8.804 1.00 0.00 O ATOM 0 H SER A 84 -5.923 7.043 8.138 1.00 0.00 H new ATOM 0 HA SER A 84 -7.056 5.403 10.205 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.665 7.433 10.223 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.994 7.697 10.678 1.00 0.00 H new ATOM 0 HG SER A 84 -7.671 7.951 7.939 1.00 0.00 H new ATOM 1324 N TYR A 85 -8.531 5.582 7.312 1.00 0.00 N ATOM 1325 CA TYR A 85 -9.602 5.041 6.471 1.00 0.00 C ATOM 1326 C TYR A 85 -9.650 3.524 6.532 1.00 0.00 C ATOM 1327 O TYR A 85 -10.700 2.936 6.761 1.00 0.00 O ATOM 1328 CB TYR A 85 -9.375 5.491 5.020 1.00 0.00 C ATOM 1329 CG TYR A 85 -10.289 4.845 3.990 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -11.573 5.316 3.770 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -9.850 3.764 3.226 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -12.397 4.735 2.819 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -10.667 3.175 2.280 1.00 0.00 C ATOM 1334 CZ TYR A 85 -11.938 3.664 2.079 1.00 0.00 C ATOM 1335 OH TYR A 85 -12.758 3.085 1.131 1.00 0.00 O ATOM 0 H TYR A 85 -7.841 6.129 6.798 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.554 5.419 6.843 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.503 6.572 4.968 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.341 5.279 4.748 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.938 6.151 4.350 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.852 3.380 3.377 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.394 5.118 2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.310 2.336 1.701 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.285 2.344 0.698 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.504 2.898 6.350 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.418 1.472 6.322 1.00 0.00 C ATOM 1347 C LEU A 86 -8.652 0.864 7.713 1.00 0.00 C ATOM 1348 O LEU A 86 -9.114 -0.269 7.840 1.00 0.00 O ATOM 1349 CB LEU A 86 -7.071 1.055 5.744 1.00 0.00 C ATOM 1350 CG LEU A 86 -6.893 -0.431 5.532 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -7.957 -0.975 4.590 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -5.516 -0.732 4.989 1.00 0.00 C ATOM 0 H LEU A 86 -7.612 3.375 6.218 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.209 1.085 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.931 1.561 4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.283 1.408 6.410 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.002 -0.923 6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.808 -2.046 4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.945 -0.797 5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.881 -0.472 3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.409 -1.807 4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.381 -0.222 4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.762 -0.385 5.696 1.00 0.00 H new ATOM 1364 N ARG A 87 -8.345 1.629 8.747 1.00 0.00 N ATOM 1365 CA ARG A 87 -8.515 1.159 10.121 1.00 0.00 C ATOM 1366 C ARG A 87 -9.983 1.184 10.547 1.00 0.00 C ATOM 1367 O ARG A 87 -10.346 0.595 11.552 1.00 0.00 O ATOM 1368 CB ARG A 87 -7.679 1.993 11.090 1.00 0.00 C ATOM 1369 CG ARG A 87 -6.184 1.827 10.909 1.00 0.00 C ATOM 1370 CD ARG A 87 -5.414 2.676 11.896 1.00 0.00 C ATOM 1371 NE ARG A 87 -3.975 2.555 11.703 1.00 0.00 N ATOM 1372 CZ ARG A 87 -3.059 2.902 12.608 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -3.438 3.336 13.808 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -1.770 2.792 12.318 1.00 0.00 N ATOM 0 H ARG A 87 -7.977 2.577 8.667 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.168 0.126 10.152 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.936 3.045 10.964 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.944 1.720 12.111 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.914 0.779 11.039 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.905 2.104 9.892 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.709 3.719 11.787 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.671 2.377 12.912 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.645 2.179 10.814 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.430 3.403 14.036 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.737 3.601 14.499 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.481 2.443 11.404 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.068 3.057 13.009 1.00 0.00 H new ATOM 1388 N ALA A 88 -10.817 1.866 9.781 1.00 0.00 N ATOM 1389 CA ALA A 88 -12.244 1.962 10.098 1.00 0.00 C ATOM 1390 C ALA A 88 -12.974 0.665 9.765 1.00 0.00 C ATOM 1391 O ALA A 88 -14.084 0.437 10.212 1.00 0.00 O ATOM 1392 CB ALA A 88 -12.871 3.122 9.351 1.00 0.00 C ATOM 0 H ALA A 88 -10.538 2.363 8.935 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.338 2.136 11.170 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.931 3.182 9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.379 4.050 9.641 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.754 2.969 8.278 1.00 0.00 H new ATOM 1398 N LEU A 89 -12.309 -0.197 9.021 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.883 -1.455 8.537 1.00 0.00 C ATOM 1400 C LEU A 89 -13.062 -2.492 9.651 1.00 0.00 C ATOM 1401 O LEU A 89 -13.578 -3.580 9.393 1.00 0.00 O ATOM 1402 CB LEU A 89 -12.026 -2.043 7.405 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.215 -1.431 6.000 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -13.640 -1.613 5.521 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -11.833 0.038 5.977 1.00 0.00 C ATOM 0 H LEU A 89 -11.343 -0.050 8.728 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.875 -1.216 8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.977 -1.938 7.683 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.234 -3.111 7.341 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.548 -1.961 5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.749 -1.174 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.875 -2.676 5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.322 -1.120 6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.978 0.436 4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.459 0.588 6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.787 0.146 6.262 1.00 0.00 H new ATOM 1417 N ARG A 90 -12.602 -2.160 10.866 1.00 0.00 N ATOM 1418 CA ARG A 90 -12.640 -3.075 12.029 1.00 0.00 C ATOM 1419 C ARG A 90 -14.000 -3.763 12.238 1.00 0.00 C ATOM 1420 O ARG A 90 -14.861 -3.253 12.947 1.00 0.00 O ATOM 1421 CB ARG A 90 -12.262 -2.335 13.320 1.00 0.00 C ATOM 1422 CG ARG A 90 -10.889 -1.695 13.305 1.00 0.00 C ATOM 1423 CD ARG A 90 -9.789 -2.727 13.162 1.00 0.00 C ATOM 1424 NE ARG A 90 -9.683 -3.586 14.340 1.00 0.00 N ATOM 1425 CZ ARG A 90 -8.927 -4.685 14.409 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -8.239 -5.092 13.343 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -8.873 -5.381 15.539 1.00 0.00 N ATOM 0 H ARG A 90 -12.192 -1.250 11.076 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.911 -3.853 11.801 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.006 -1.562 13.510 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.312 -3.037 14.153 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.829 -0.983 12.482 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.741 -1.131 14.226 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.981 -3.341 12.282 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.838 -2.221 12.996 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.223 -3.329 15.166 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.289 -4.564 12.472 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.662 -5.932 13.398 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.408 -5.076 16.352 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.296 -6.221 15.594 1.00 0.00 H new ATOM 1441 N GLU A 91 -14.163 -4.915 11.615 1.00 0.00 N ATOM 1442 CA GLU A 91 -15.330 -5.756 11.790 1.00 0.00 C ATOM 1443 C GLU A 91 -14.992 -7.170 11.383 1.00 0.00 C ATOM 1444 O GLU A 91 -15.107 -7.555 10.218 1.00 0.00 O ATOM 1445 CB GLU A 91 -16.568 -5.230 11.034 1.00 0.00 C ATOM 1446 CG GLU A 91 -17.761 -6.206 11.015 1.00 0.00 C ATOM 1447 CD GLU A 91 -18.233 -6.647 12.403 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -17.492 -7.419 13.077 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -19.362 -6.277 12.800 1.00 0.00 O ATOM 0 H GLU A 91 -13.478 -5.298 10.964 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.602 -5.738 12.845 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -16.887 -4.293 11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.283 -5.003 10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -18.594 -5.734 10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.484 -7.090 10.440 1.00 0.00 H new ATOM 1456 N HIS A 92 -14.508 -7.906 12.343 1.00 0.00 N ATOM 1457 CA HIS A 92 -14.136 -9.291 12.164 1.00 0.00 C ATOM 1458 C HIS A 92 -14.656 -10.045 13.360 1.00 0.00 C ATOM 1459 O HIS A 92 -14.083 -11.047 13.794 1.00 0.00 O ATOM 1460 CB HIS A 92 -12.608 -9.415 12.077 1.00 0.00 C ATOM 1461 CG HIS A 92 -11.996 -8.591 10.979 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -11.481 -7.326 11.189 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -11.832 -8.843 9.660 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -11.032 -6.840 10.045 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -11.233 -7.737 9.103 1.00 0.00 N ATOM 0 H HIS A 92 -14.356 -7.559 13.290 1.00 0.00 H new ATOM 0 HA HIS A 92 -14.556 -9.694 11.243 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -12.173 -9.114 13.030 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.346 -10.462 11.923 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.118 -9.745 9.140 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.577 -5.870 9.906 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.985 -7.629 8.120 1.00 0.00 H new ATOM 1473 N GLY A 93 -15.763 -9.544 13.886 1.00 0.00 N ATOM 1474 CA GLY A 93 -16.323 -10.066 15.099 1.00 0.00 C ATOM 1475 C GLY A 93 -16.043 -9.115 16.229 1.00 0.00 C ATOM 1476 O GLY A 93 -15.757 -9.527 17.356 1.00 0.00 O ATOM 0 H GLY A 93 -16.287 -8.769 13.479 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -17.398 -10.206 14.985 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -15.895 -11.044 15.318 1.00 0.00 H new ATOM 1480 N THR A 94 -16.124 -7.827 15.922 1.00 0.00 N ATOM 1481 CA THR A 94 -15.786 -6.793 16.868 1.00 0.00 C ATOM 1482 C THR A 94 -16.951 -6.470 17.783 1.00 0.00 C ATOM 1483 O THR A 94 -17.675 -5.501 17.571 1.00 0.00 O ATOM 1484 CB THR A 94 -15.343 -5.509 16.142 1.00 0.00 C ATOM 1485 OG1 THR A 94 -14.488 -5.842 15.033 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.595 -4.581 17.095 1.00 0.00 C ATOM 0 H THR A 94 -16.426 -7.479 15.012 1.00 0.00 H new ATOM 0 HA THR A 94 -14.962 -7.173 17.472 1.00 0.00 H new ATOM 0 HB THR A 94 -16.234 -4.998 15.778 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.085 -5.024 14.674 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.291 -3.680 16.562 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.247 -4.309 17.925 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.712 -5.090 17.480 1.00 0.00 H new ATOM 1494 N ILE A 95 -17.125 -7.284 18.803 1.00 0.00 N ATOM 1495 CA ILE A 95 -18.173 -7.071 19.769 1.00 0.00 C ATOM 1496 C ILE A 95 -17.690 -6.110 20.838 1.00 0.00 C ATOM 1497 O ILE A 95 -16.727 -6.389 21.561 1.00 0.00 O ATOM 1498 CB ILE A 95 -18.628 -8.416 20.400 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -19.507 -9.194 19.404 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -19.358 -8.197 21.730 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -20.960 -8.820 19.433 1.00 0.00 C ATOM 0 H ILE A 95 -16.547 -8.105 18.982 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.036 -6.636 19.264 1.00 0.00 H new ATOM 0 HB ILE A 95 -17.740 -9.009 20.618 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -19.123 -9.032 18.397 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -19.415 -10.260 19.613 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -19.661 -9.160 22.141 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -18.692 -7.696 22.432 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -20.241 -7.580 21.563 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -21.504 -9.416 18.701 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -21.365 -9.009 20.427 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -21.068 -7.762 19.192 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.336 -4.976 20.914 1.00 0.00 N ATOM 1514 CA TYR A 96 -17.983 -3.971 21.871 1.00 0.00 C ATOM 1515 C TYR A 96 -19.225 -3.551 22.624 1.00 0.00 C ATOM 1516 O TYR A 96 -20.243 -3.230 22.013 1.00 0.00 O ATOM 1517 CB TYR A 96 -17.352 -2.766 21.167 1.00 0.00 C ATOM 1518 CG TYR A 96 -16.635 -1.828 22.103 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -15.297 -2.033 22.407 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -17.284 -0.750 22.691 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -14.624 -1.194 23.270 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -16.618 0.094 23.553 1.00 0.00 C ATOM 1523 CZ TYR A 96 -15.288 -0.135 23.839 1.00 0.00 C ATOM 1524 OH TYR A 96 -14.624 0.697 24.701 1.00 0.00 O ATOM 0 H TYR A 96 -19.121 -4.727 20.312 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.253 -4.375 22.572 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.649 -3.123 20.414 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -18.131 -2.215 20.640 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -14.773 -2.865 21.960 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -18.326 -0.571 22.469 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.583 -1.368 23.497 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -17.134 0.930 24.002 1.00 0.00 H new ATOM 0 HH TYR A 96 -14.600 1.603 24.328 1.00 0.00 H new ATOM 1534 N CYS A 97 -19.150 -3.590 23.948 1.00 0.00 N ATOM 1535 CA CYS A 97 -20.274 -3.231 24.814 1.00 0.00 C ATOM 1536 C CYS A 97 -21.454 -4.207 24.627 1.00 0.00 C ATOM 1537 O CYS A 97 -22.574 -3.948 25.083 1.00 0.00 O ATOM 1538 CB CYS A 97 -20.718 -1.773 24.564 1.00 0.00 C ATOM 1539 SG CYS A 97 -21.844 -1.111 25.820 1.00 0.00 S ATOM 0 H CYS A 97 -18.311 -3.871 24.455 1.00 0.00 H new ATOM 0 HA CYS A 97 -19.938 -3.309 25.848 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -19.833 -1.139 24.516 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -21.204 -1.715 23.590 1.00 0.00 H new ATOM 0 HG CYS A 97 -22.715 -2.020 26.144 1.00 0.00 H new ATOM 1545 N GLY A 98 -21.187 -5.337 23.973 1.00 0.00 N ATOM 1546 CA GLY A 98 -22.212 -6.339 23.776 1.00 0.00 C ATOM 1547 C GLY A 98 -22.587 -6.556 22.321 1.00 0.00 C ATOM 1548 O GLY A 98 -23.178 -7.578 21.984 1.00 0.00 O ATOM 0 H GLY A 98 -20.277 -5.572 23.577 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -21.869 -7.284 24.198 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -23.103 -6.047 24.331 1.00 0.00 H new ATOM 1552 N ALA A 99 -22.241 -5.618 21.447 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.597 -5.750 20.034 1.00 0.00 C ATOM 1554 C ALA A 99 -21.443 -5.425 19.113 1.00 0.00 C ATOM 1555 O ALA A 99 -20.548 -4.667 19.466 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.775 -4.889 19.690 1.00 0.00 C ATOM 0 H ALA A 99 -21.724 -4.771 21.683 1.00 0.00 H new ATOM 0 HA ALA A 99 -22.860 -6.797 19.883 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -24.016 -5.008 18.634 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.632 -5.187 20.294 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.534 -3.845 19.892 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.476 -6.007 17.931 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.438 -5.811 16.949 1.00 0.00 C ATOM 1564 C ALA A 100 -20.647 -4.525 16.167 1.00 0.00 C ATOM 1565 O ALA A 100 -21.782 -4.170 15.820 1.00 0.00 O ATOM 1566 CB ALA A 100 -20.369 -7.003 16.007 1.00 0.00 C ATOM 0 H ALA A 100 -22.225 -6.629 17.628 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.489 -5.725 17.479 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.581 -6.840 15.272 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -20.152 -7.906 16.578 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -21.325 -7.118 15.495 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.563 -3.837 15.889 1.00 0.00 N ATOM 1573 CA ILE A 101 -19.614 -2.623 15.109 1.00 0.00 C ATOM 1574 C ILE A 101 -19.142 -2.907 13.691 1.00 0.00 C ATOM 1575 O ILE A 101 -18.065 -3.460 13.484 1.00 0.00 O ATOM 1576 CB ILE A 101 -18.770 -1.482 15.747 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.301 -1.904 15.913 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -19.362 -1.071 17.088 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -16.403 -0.802 16.437 1.00 0.00 C ATOM 0 H ILE A 101 -18.627 -4.102 16.195 1.00 0.00 H new ATOM 0 HA ILE A 101 -20.648 -2.280 15.088 1.00 0.00 H new ATOM 0 HB ILE A 101 -18.798 -0.625 15.074 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.252 -2.754 16.593 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -16.919 -2.244 14.950 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -18.761 -0.272 17.522 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -20.383 -0.718 16.942 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.367 -1.928 17.762 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -15.383 -1.176 16.527 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -16.421 0.041 15.746 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -16.758 -0.477 17.415 1.00 0.00 H new ATOM 1591 N GLY A 102 -19.955 -2.553 12.721 1.00 0.00 N ATOM 1592 CA GLY A 102 -19.614 -2.832 11.353 1.00 0.00 C ATOM 1593 C GLY A 102 -19.424 -1.582 10.546 1.00 0.00 C ATOM 1594 O GLY A 102 -20.250 -0.671 10.597 1.00 0.00 O ATOM 0 H GLY A 102 -20.847 -2.077 12.856 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -18.699 -3.424 11.323 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -20.400 -3.437 10.901 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.340 -1.525 9.807 1.00 0.00 N ATOM 1599 CA CYS A 103 -18.057 -0.387 8.973 1.00 0.00 C ATOM 1600 C CYS A 103 -17.689 -0.827 7.572 1.00 0.00 C ATOM 1601 O CYS A 103 -16.904 -1.766 7.385 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.942 0.460 9.565 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.569 1.957 8.617 1.00 0.00 S ATOM 0 H CYS A 103 -17.636 -2.262 9.769 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.961 0.221 8.923 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -17.217 0.745 10.581 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -16.039 -0.146 9.637 1.00 0.00 H new ATOM 0 HG CYS A 103 -17.647 2.375 8.023 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.271 -0.159 6.600 1.00 0.00 N ATOM 1610 CA VAL A 104 -18.020 -0.436 5.202 1.00 0.00 C ATOM 1611 C VAL A 104 -17.884 0.889 4.445 1.00 0.00 C ATOM 1612 O VAL A 104 -18.219 1.954 4.990 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.175 -1.276 4.571 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -19.293 -2.643 5.233 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.495 -0.524 4.652 1.00 0.00 C ATOM 0 H VAL A 104 -18.937 0.597 6.759 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.099 -1.015 5.126 1.00 0.00 H new ATOM 0 HB VAL A 104 -18.933 -1.435 3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -20.106 -3.202 4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.359 -3.190 5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -19.499 -2.516 6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.286 -1.128 4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.736 -0.323 5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.410 0.419 4.112 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.380 0.858 3.193 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.262 2.062 2.370 1.00 0.00 C ATOM 1627 C PRO A 105 -18.636 2.671 2.099 1.00 0.00 C ATOM 1628 O PRO A 105 -19.641 1.954 2.079 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.624 1.557 1.060 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.026 0.232 1.406 1.00 0.00 C ATOM 1631 CD PRO A 105 -16.884 -0.338 2.493 1.00 0.00 C ATOM 0 HA PRO A 105 -16.674 2.842 2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.369 1.460 0.270 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.865 2.250 0.698 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -16.008 -0.426 0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -14.995 0.345 1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -17.701 -0.936 2.089 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -16.313 -0.986 3.158 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.678 3.986 1.919 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.935 4.696 1.692 1.00 0.00 C ATOM 1641 C TYR A 106 -20.711 4.099 0.513 1.00 0.00 C ATOM 1642 O TYR A 106 -20.299 4.207 -0.647 1.00 0.00 O ATOM 1643 CB TYR A 106 -19.669 6.191 1.455 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.923 7.032 1.292 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.565 7.578 2.398 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -21.466 7.282 0.032 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -22.706 8.343 2.256 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -22.606 8.045 -0.117 1.00 0.00 C ATOM 1649 CZ TYR A 106 -23.224 8.573 0.995 1.00 0.00 C ATOM 1650 OH TYR A 106 -24.361 9.336 0.847 1.00 0.00 O ATOM 0 H TYR A 106 -17.853 4.586 1.926 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.548 4.583 2.586 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.090 6.582 2.292 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.053 6.301 0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.164 7.401 3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.985 6.871 -0.843 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.191 8.760 3.126 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.012 8.227 -1.101 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.590 9.401 -0.104 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.822 3.464 0.829 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.682 2.864 -0.167 1.00 0.00 C ATOM 1662 C LYS A 107 -23.984 3.623 -0.263 1.00 0.00 C ATOM 1663 O LYS A 107 -24.676 3.809 0.736 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.962 1.399 0.182 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.788 0.468 -0.005 1.00 0.00 C ATOM 1666 CD LYS A 107 -21.494 0.290 -1.470 1.00 0.00 C ATOM 1667 CE LYS A 107 -20.338 -0.670 -1.710 1.00 0.00 C ATOM 1668 NZ LYS A 107 -20.106 -0.902 -3.160 1.00 0.00 N ATOM 0 H LYS A 107 -22.153 3.350 1.787 1.00 0.00 H new ATOM 0 HA LYS A 107 -22.174 2.908 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -23.290 1.344 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.790 1.045 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -20.911 0.870 0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -22.005 -0.498 0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -22.385 -0.083 -1.975 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -21.258 1.258 -1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -19.432 -0.269 -1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -20.546 -1.620 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.311 -1.561 -3.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -20.962 -1.309 -3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -19.882 0.001 -3.625 1.00 0.00 H new ATOM 1682 N HIS A 108 -24.320 4.045 -1.465 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.545 4.784 -1.706 1.00 0.00 C ATOM 1684 C HIS A 108 -26.759 3.907 -1.408 1.00 0.00 C ATOM 1685 O HIS A 108 -27.729 4.362 -0.810 1.00 0.00 O ATOM 1686 CB HIS A 108 -25.591 5.293 -3.153 1.00 0.00 C ATOM 1687 CG HIS A 108 -26.782 6.154 -3.454 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -27.879 5.704 -4.157 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -27.041 7.445 -3.142 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -28.760 6.683 -4.263 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -28.278 7.745 -3.657 1.00 0.00 N ATOM 0 H HIS A 108 -23.755 3.887 -2.300 1.00 0.00 H new ATOM 0 HA HIS A 108 -25.567 5.646 -1.039 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -24.683 5.860 -3.358 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -25.592 4.438 -3.829 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -26.396 8.114 -2.591 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -29.715 6.621 -4.763 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -28.748 8.647 -3.581 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.684 2.642 -1.812 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.769 1.695 -1.570 1.00 0.00 C ATOM 1701 C GLU A 109 -27.950 1.485 -0.072 1.00 0.00 C ATOM 1702 O GLU A 109 -29.074 1.402 0.430 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.472 0.356 -2.243 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.585 -0.671 -2.081 1.00 0.00 C ATOM 1705 CD GLU A 109 -28.243 -1.999 -2.712 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -27.914 -2.025 -3.921 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -28.296 -3.029 -2.011 1.00 0.00 O ATOM 0 H GLU A 109 -25.884 2.249 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.686 2.105 -1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.297 0.524 -3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.550 -0.052 -1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.788 -0.818 -1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.500 -0.284 -2.530 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.831 1.425 0.636 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.837 1.253 2.077 1.00 0.00 C ATOM 1716 C LEU A 110 -27.534 2.436 2.729 1.00 0.00 C ATOM 1717 O LEU A 110 -28.333 2.272 3.648 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.403 1.135 2.594 1.00 0.00 C ATOM 1719 CG LEU A 110 -25.243 0.955 4.108 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -25.784 -0.394 4.557 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -23.786 1.110 4.510 1.00 0.00 C ATOM 0 H LEU A 110 -25.899 1.494 0.228 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.376 0.340 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -24.928 0.290 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.856 2.029 2.295 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.824 1.732 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -25.658 -0.496 5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -26.843 -0.463 4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -25.239 -1.191 4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.690 0.979 5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -23.185 0.358 3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.436 2.104 4.233 1.00 0.00 H new ATOM 1733 N ILE A 111 -27.244 3.627 2.219 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.845 4.846 2.719 1.00 0.00 C ATOM 1735 C ILE A 111 -29.360 4.811 2.515 1.00 0.00 C ATOM 1736 O ILE A 111 -30.114 5.167 3.409 1.00 0.00 O ATOM 1737 CB ILE A 111 -27.248 6.086 2.005 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.764 6.240 2.361 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -28.022 7.355 2.354 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -25.494 6.467 3.838 1.00 0.00 C ATOM 0 H ILE A 111 -26.588 3.769 1.451 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.629 4.920 3.785 1.00 0.00 H new ATOM 0 HB ILE A 111 -27.336 5.932 0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -25.231 5.345 2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -25.352 7.076 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -27.578 8.206 1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -29.061 7.244 2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -27.980 7.522 3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -24.421 6.565 4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.995 7.379 4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.872 5.621 4.411 1.00 0.00 H new ATOM 1752 N SER A 112 -29.797 4.360 1.341 1.00 0.00 N ATOM 1753 CA SER A 112 -31.223 4.264 1.039 1.00 0.00 C ATOM 1754 C SER A 112 -31.940 3.326 2.030 1.00 0.00 C ATOM 1755 O SER A 112 -33.025 3.653 2.532 1.00 0.00 O ATOM 1756 CB SER A 112 -31.425 3.780 -0.393 1.00 0.00 C ATOM 1757 OG SER A 112 -30.765 4.637 -1.316 1.00 0.00 O ATOM 0 H SER A 112 -29.185 4.056 0.584 1.00 0.00 H new ATOM 0 HA SER A 112 -31.660 5.257 1.142 1.00 0.00 H new ATOM 0 HB2 SER A 112 -31.042 2.765 -0.495 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.490 3.744 -0.622 1.00 0.00 H new ATOM 0 HG SER A 112 -29.795 4.529 -1.226 1.00 0.00 H new ATOM 1763 N GLU A 113 -31.324 2.178 2.316 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.878 1.223 3.286 1.00 0.00 C ATOM 1765 C GLU A 113 -31.954 1.843 4.671 1.00 0.00 C ATOM 1766 O GLU A 113 -32.966 1.734 5.361 1.00 0.00 O ATOM 1767 CB GLU A 113 -31.017 -0.042 3.327 1.00 0.00 C ATOM 1768 CG GLU A 113 -31.163 -0.916 2.097 1.00 0.00 C ATOM 1769 CD GLU A 113 -32.520 -1.575 2.035 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -32.759 -2.528 2.812 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -33.368 -1.129 1.249 1.00 0.00 O ATOM 0 H GLU A 113 -30.444 1.884 1.893 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.888 0.960 2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -29.971 0.244 3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -31.283 -0.624 4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -31.011 -0.312 1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -30.387 -1.682 2.101 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.884 2.495 5.062 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.813 3.158 6.342 1.00 0.00 C ATOM 1780 C LEU A 114 -31.822 4.316 6.415 1.00 0.00 C ATOM 1781 O LEU A 114 -32.474 4.529 7.435 1.00 0.00 O ATOM 1782 CB LEU A 114 -29.400 3.654 6.564 1.00 0.00 C ATOM 1783 CG LEU A 114 -28.350 2.550 6.698 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -26.969 3.140 6.748 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -28.611 1.690 7.930 1.00 0.00 C ATOM 0 H LEU A 114 -30.037 2.580 4.500 1.00 0.00 H new ATOM 0 HA LEU A 114 -31.072 2.451 7.130 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -29.122 4.302 5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -29.381 4.266 7.466 1.00 0.00 H new ATOM 0 HG LEU A 114 -28.422 1.908 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -26.235 2.340 6.843 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -26.779 3.700 5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -26.890 3.809 7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -27.849 0.914 8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -28.576 2.314 8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -29.594 1.227 7.849 1.00 0.00 H new ATOM 1797 N SER A 115 -31.935 5.050 5.317 1.00 0.00 N ATOM 1798 CA SER A 115 -32.846 6.184 5.207 1.00 0.00 C ATOM 1799 C SER A 115 -34.313 5.766 5.346 1.00 0.00 C ATOM 1800 O SER A 115 -35.096 6.440 6.025 1.00 0.00 O ATOM 1801 CB SER A 115 -32.628 6.901 3.866 1.00 0.00 C ATOM 1802 OG SER A 115 -33.495 8.021 3.729 1.00 0.00 O ATOM 0 H SER A 115 -31.394 4.875 4.470 1.00 0.00 H new ATOM 0 HA SER A 115 -32.623 6.863 6.030 1.00 0.00 H new ATOM 0 HB2 SER A 115 -31.592 7.230 3.792 1.00 0.00 H new ATOM 0 HB3 SER A 115 -32.800 6.203 3.046 1.00 0.00 H new ATOM 0 HG SER A 115 -33.332 8.457 2.867 1.00 0.00 H new