USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=19 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 25 GLN : amide:sc= 0 K(o=-0.11,f=-0.63) USER MOD Set 1.2: A 97 CYS SG : rot -42:sc= -0.115 USER MOD Set 2.1: A 11 ASN : amide:sc= 1.18 K(o=1.1,f=-1.1) USER MOD Set 2.2: A 82 HIS : no HD1:sc= -0.0383 X(o=1.1,f=1.2) USER MOD Single : A 18 TYR OH : rot 165:sc= -0.0515 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= -0.0504 (180deg=-0.316) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0236 USER MOD Single : A 32 GLN : amide:sc= -0.0547 K(o=-0.055,f=-0.67) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= 1.92 K(o=1.9,f=-7.6!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 16:sc= 0.0198 USER MOD Single : A 81 ASN : amide:sc= -5.34! C(o=-5.3!,f=-3.7!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.314 USER MOD Single : A 92 HIS : no HD1:sc=-0.00695 X(o=-0.0069,f=-0.0069) USER MOD Single : A 94 THR OG1 : rot 111:sc= 2.13 USER MOD Single : A 96 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 103 CYS SG : rot 173:sc= -1.49 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=-0.015) USER MOD Single : A 112 SER OG : rot 71:sc= 0.664 USER MOD Single : A 115 SER OG : rot -79:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -11.818 8.325 1.585 1.00 0.00 N ATOM 131 CA ASN A 11 -11.360 7.655 2.794 1.00 0.00 C ATOM 132 C ASN A 11 -12.390 7.773 3.917 1.00 0.00 C ATOM 133 O ASN A 11 -12.055 7.681 5.101 1.00 0.00 O ATOM 134 CB ASN A 11 -9.998 8.206 3.234 1.00 0.00 C ATOM 135 CG ASN A 11 -8.876 7.780 2.295 1.00 0.00 C ATOM 136 OD1 ASN A 11 -8.906 6.691 1.731 1.00 0.00 O ATOM 137 ND2 ASN A 11 -7.885 8.635 2.119 1.00 0.00 N ATOM 0 HA ASN A 11 -11.241 6.595 2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.043 9.294 3.273 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.776 7.860 4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.112 8.398 1.498 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.893 9.532 2.604 1.00 0.00 H new ATOM 144 N ALA A 12 -13.636 7.997 3.539 1.00 0.00 N ATOM 145 CA ALA A 12 -14.731 8.071 4.499 1.00 0.00 C ATOM 146 C ALA A 12 -15.453 6.732 4.578 1.00 0.00 C ATOM 147 O ALA A 12 -15.591 6.038 3.574 1.00 0.00 O ATOM 148 CB ALA A 12 -15.711 9.166 4.107 1.00 0.00 C ATOM 0 H ALA A 12 -13.919 8.132 2.568 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.315 8.309 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.521 9.207 4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.195 10.126 4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.120 8.952 3.120 1.00 0.00 H new ATOM 154 N VAL A 13 -15.907 6.369 5.767 1.00 0.00 N ATOM 155 CA VAL A 13 -16.614 5.109 5.953 1.00 0.00 C ATOM 156 C VAL A 13 -17.883 5.314 6.763 1.00 0.00 C ATOM 157 O VAL A 13 -18.032 6.318 7.462 1.00 0.00 O ATOM 158 CB VAL A 13 -15.736 4.044 6.668 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.511 3.695 5.840 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.329 4.522 8.053 1.00 0.00 C ATOM 0 H VAL A 13 -15.800 6.925 6.615 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.862 4.746 4.955 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.334 3.140 6.779 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.917 2.948 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.825 3.295 4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.911 4.591 5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.715 3.761 8.535 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.758 5.447 7.966 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.221 4.702 8.653 1.00 0.00 H new ATOM 170 N VAL A 14 -18.792 4.368 6.661 1.00 0.00 N ATOM 171 CA VAL A 14 -20.015 4.401 7.436 1.00 0.00 C ATOM 172 C VAL A 14 -19.926 3.368 8.536 1.00 0.00 C ATOM 173 O VAL A 14 -19.808 2.172 8.258 1.00 0.00 O ATOM 174 CB VAL A 14 -21.270 4.109 6.574 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.531 4.136 7.432 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.389 5.103 5.432 1.00 0.00 C ATOM 0 H VAL A 14 -18.706 3.560 6.044 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.120 5.406 7.844 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.159 3.111 6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.400 3.929 6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.456 3.379 8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.639 5.120 7.889 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.278 4.876 4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.469 6.112 5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.506 5.035 4.797 1.00 0.00 H new ATOM 186 N VAL A 15 -19.971 3.820 9.769 1.00 0.00 N ATOM 187 CA VAL A 15 -19.879 2.928 10.897 1.00 0.00 C ATOM 188 C VAL A 15 -21.228 2.852 11.592 1.00 0.00 C ATOM 189 O VAL A 15 -21.844 3.879 11.886 1.00 0.00 O ATOM 190 CB VAL A 15 -18.803 3.392 11.909 1.00 0.00 C ATOM 191 CG1 VAL A 15 -18.587 2.335 12.980 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.493 3.709 11.198 1.00 0.00 C ATOM 0 H VAL A 15 -20.071 4.805 10.014 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.589 1.945 10.526 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.158 4.303 12.390 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -17.827 2.679 13.682 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.522 2.161 13.513 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.257 1.407 12.514 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -16.752 4.033 11.928 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.132 2.817 10.686 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.657 4.504 10.471 1.00 0.00 H new ATOM 202 N PHE A 16 -21.684 1.648 11.843 1.00 0.00 N ATOM 203 CA PHE A 16 -22.982 1.436 12.454 1.00 0.00 C ATOM 204 C PHE A 16 -22.943 0.281 13.439 1.00 0.00 C ATOM 205 O PHE A 16 -21.977 -0.479 13.475 1.00 0.00 O ATOM 206 CB PHE A 16 -24.047 1.187 11.371 1.00 0.00 C ATOM 207 CG PHE A 16 -23.719 0.054 10.428 1.00 0.00 C ATOM 208 CD1 PHE A 16 -24.081 -1.250 10.729 1.00 0.00 C ATOM 209 CD2 PHE A 16 -23.052 0.301 9.236 1.00 0.00 C ATOM 210 CE1 PHE A 16 -23.780 -2.284 9.863 1.00 0.00 C ATOM 211 CE2 PHE A 16 -22.750 -0.732 8.366 1.00 0.00 C ATOM 212 CZ PHE A 16 -23.116 -2.024 8.682 1.00 0.00 C ATOM 0 H PHE A 16 -21.173 0.791 11.633 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.248 2.337 13.007 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.000 0.976 11.856 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.180 2.100 10.791 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -24.604 -1.460 11.650 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -22.765 1.311 8.984 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.065 -3.296 10.111 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -22.229 -0.527 7.442 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.883 -2.832 8.005 1.00 0.00 H new ATOM 222 N GLY A 17 -23.993 0.156 14.234 1.00 0.00 N ATOM 223 CA GLY A 17 -24.063 -0.919 15.207 1.00 0.00 C ATOM 224 C GLY A 17 -24.163 -0.408 16.626 1.00 0.00 C ATOM 225 O GLY A 17 -24.394 -1.173 17.558 1.00 0.00 O ATOM 0 H GLY A 17 -24.800 0.779 14.225 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -24.927 -1.547 14.988 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.179 -1.549 15.112 1.00 0.00 H new ATOM 229 N TYR A 18 -24.009 0.890 16.786 1.00 0.00 N ATOM 230 CA TYR A 18 -24.080 1.508 18.095 1.00 0.00 C ATOM 231 C TYR A 18 -25.057 2.673 18.086 1.00 0.00 C ATOM 232 O TYR A 18 -25.489 3.119 17.027 1.00 0.00 O ATOM 233 CB TYR A 18 -22.693 1.962 18.567 1.00 0.00 C ATOM 234 CG TYR A 18 -21.964 2.854 17.586 1.00 0.00 C ATOM 235 CD1 TYR A 18 -22.190 4.223 17.553 1.00 0.00 C ATOM 236 CD2 TYR A 18 -21.049 2.321 16.695 1.00 0.00 C ATOM 237 CE1 TYR A 18 -21.522 5.032 16.656 1.00 0.00 C ATOM 238 CE2 TYR A 18 -20.379 3.122 15.800 1.00 0.00 C ATOM 239 CZ TYR A 18 -20.618 4.476 15.782 1.00 0.00 C ATOM 240 OH TYR A 18 -19.949 5.273 14.884 1.00 0.00 O ATOM 0 H TYR A 18 -23.833 1.541 16.021 1.00 0.00 H new ATOM 0 HA TYR A 18 -24.445 0.762 18.801 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -22.799 2.493 19.513 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -22.082 1.081 18.763 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -22.899 4.662 18.239 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -20.858 1.258 16.703 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -21.708 6.096 16.641 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -19.667 2.689 15.113 1.00 0.00 H new ATOM 0 HH TYR A 18 -19.188 4.780 14.512 1.00 0.00 H new ATOM 250 N ARG A 19 -25.394 3.158 19.259 1.00 0.00 N ATOM 251 CA ARG A 19 -26.366 4.228 19.402 1.00 0.00 C ATOM 252 C ARG A 19 -25.741 5.426 20.095 1.00 0.00 C ATOM 253 O ARG A 19 -24.725 5.291 20.791 1.00 0.00 O ATOM 254 CB ARG A 19 -27.575 3.712 20.196 1.00 0.00 C ATOM 255 CG ARG A 19 -27.238 3.264 21.615 1.00 0.00 C ATOM 256 CD ARG A 19 -28.424 2.576 22.274 1.00 0.00 C ATOM 257 NE ARG A 19 -28.116 2.102 23.629 1.00 0.00 N ATOM 258 CZ ARG A 19 -27.681 0.860 23.917 1.00 0.00 C ATOM 259 NH1 ARG A 19 -27.453 -0.015 22.939 1.00 0.00 N ATOM 260 NH2 ARG A 19 -27.462 0.507 25.179 1.00 0.00 N ATOM 0 H ARG A 19 -25.006 2.826 20.142 1.00 0.00 H new ATOM 0 HA ARG A 19 -26.697 4.548 18.414 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -28.328 4.498 20.243 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -28.020 2.875 19.658 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -26.387 2.583 21.591 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -26.939 4.127 22.210 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -29.264 3.269 22.317 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -28.738 1.732 21.660 1.00 0.00 H new ATOM 0 HE ARG A 19 -28.239 2.755 24.402 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -27.608 0.254 21.967 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -27.124 -0.954 23.162 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -27.623 1.177 25.931 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -27.133 -0.434 25.396 1.00 0.00 H new ATOM 274 N GLU A 20 -26.339 6.599 19.907 1.00 0.00 N ATOM 275 CA GLU A 20 -25.835 7.814 20.520 1.00 0.00 C ATOM 276 C GLU A 20 -26.149 7.792 22.016 1.00 0.00 C ATOM 277 O GLU A 20 -27.170 8.321 22.468 1.00 0.00 O ATOM 278 CB GLU A 20 -26.443 9.051 19.849 1.00 0.00 C ATOM 279 CG GLU A 20 -25.805 10.370 20.270 1.00 0.00 C ATOM 280 CD GLU A 20 -26.512 11.569 19.673 1.00 0.00 C ATOM 281 OE1 GLU A 20 -26.134 12.006 18.566 1.00 0.00 O ATOM 282 OE2 GLU A 20 -27.450 12.083 20.318 1.00 0.00 O ATOM 0 H GLU A 20 -27.173 6.729 19.334 1.00 0.00 H new ATOM 0 HA GLU A 20 -24.755 7.865 20.385 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -26.352 8.945 18.768 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -27.508 9.087 20.077 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -25.820 10.447 21.357 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -24.759 10.379 19.964 1.00 0.00 H new ATOM 289 N ALA A 21 -25.274 7.140 22.756 1.00 0.00 N ATOM 290 CA ALA A 21 -25.414 6.951 24.194 1.00 0.00 C ATOM 291 C ALA A 21 -24.131 6.356 24.753 1.00 0.00 C ATOM 292 O ALA A 21 -23.758 6.600 25.898 1.00 0.00 O ATOM 293 CB ALA A 21 -26.593 6.035 24.505 1.00 0.00 C ATOM 0 H ALA A 21 -24.429 6.717 22.372 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.601 7.918 24.660 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.680 5.907 25.584 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.510 6.478 24.117 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.433 5.064 24.036 1.00 0.00 H new ATOM 299 N ILE A 22 -23.463 5.570 23.919 1.00 0.00 N ATOM 300 CA ILE A 22 -22.195 4.938 24.264 1.00 0.00 C ATOM 301 C ILE A 22 -21.021 5.848 23.887 1.00 0.00 C ATOM 302 O ILE A 22 -19.903 5.377 23.649 1.00 0.00 O ATOM 303 CB ILE A 22 -22.057 3.551 23.555 1.00 0.00 C ATOM 304 CG1 ILE A 22 -22.310 3.652 22.028 1.00 0.00 C ATOM 305 CG2 ILE A 22 -23.008 2.542 24.179 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.086 3.991 21.207 1.00 0.00 C ATOM 0 H ILE A 22 -23.788 5.351 22.977 1.00 0.00 H new ATOM 0 HA ILE A 22 -22.177 4.776 25.342 1.00 0.00 H new ATOM 0 HB ILE A 22 -21.030 3.213 23.696 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -22.715 2.703 21.677 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -23.073 4.410 21.849 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -22.901 1.581 23.675 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -22.772 2.426 25.237 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -24.034 2.895 24.073 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.357 4.040 20.153 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -20.690 4.955 21.525 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -20.327 3.222 21.351 1.00 0.00 H new ATOM 318 N THR A 23 -21.297 7.152 23.881 1.00 0.00 N ATOM 319 CA THR A 23 -20.358 8.191 23.475 1.00 0.00 C ATOM 320 C THR A 23 -18.949 7.974 24.037 1.00 0.00 C ATOM 321 O THR A 23 -18.038 7.625 23.302 1.00 0.00 O ATOM 322 CB THR A 23 -20.873 9.573 23.924 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.246 9.724 23.538 1.00 0.00 O ATOM 324 CG2 THR A 23 -20.047 10.694 23.305 1.00 0.00 C ATOM 0 H THR A 23 -22.204 7.522 24.166 1.00 0.00 H new ATOM 0 HA THR A 23 -20.290 8.142 22.388 1.00 0.00 H new ATOM 0 HB THR A 23 -20.782 9.635 25.008 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.572 10.602 23.826 1.00 0.00 H new ATOM 0 HG21 THR A 23 -20.433 11.657 23.639 1.00 0.00 H new ATOM 0 HG22 THR A 23 -19.007 10.593 23.614 1.00 0.00 H new ATOM 0 HG23 THR A 23 -20.110 10.635 22.218 1.00 0.00 H new ATOM 332 N LYS A 24 -18.799 8.133 25.345 1.00 0.00 N ATOM 333 CA LYS A 24 -17.490 8.042 26.004 1.00 0.00 C ATOM 334 C LYS A 24 -16.852 6.673 25.838 1.00 0.00 C ATOM 335 O LYS A 24 -15.627 6.557 25.743 1.00 0.00 O ATOM 336 CB LYS A 24 -17.609 8.382 27.493 1.00 0.00 C ATOM 337 CG LYS A 24 -17.573 9.869 27.814 1.00 0.00 C ATOM 338 CD LYS A 24 -18.717 10.639 27.181 1.00 0.00 C ATOM 339 CE LYS A 24 -18.591 12.119 27.475 1.00 0.00 C ATOM 340 NZ LYS A 24 -18.623 12.392 28.931 1.00 0.00 N ATOM 0 H LYS A 24 -19.572 8.328 25.981 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.842 8.770 25.516 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -18.542 7.965 27.873 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.798 7.889 28.030 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -17.606 10.003 28.895 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.627 10.287 27.470 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.720 10.476 26.103 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.668 10.267 27.562 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.659 12.496 27.054 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -19.402 12.658 26.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.773 13.409 29.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.399 11.855 29.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.719 12.105 29.358 1.00 0.00 H new ATOM 354 N GLN A 25 -17.678 5.646 25.811 1.00 0.00 N ATOM 355 CA GLN A 25 -17.205 4.270 25.713 1.00 0.00 C ATOM 356 C GLN A 25 -16.363 4.041 24.454 1.00 0.00 C ATOM 357 O GLN A 25 -15.150 3.833 24.536 1.00 0.00 O ATOM 358 CB GLN A 25 -18.394 3.315 25.715 1.00 0.00 C ATOM 359 CG GLN A 25 -19.202 3.351 26.991 1.00 0.00 C ATOM 360 CD GLN A 25 -20.412 2.444 26.945 1.00 0.00 C ATOM 361 OE1 GLN A 25 -20.388 1.379 26.322 1.00 0.00 O ATOM 362 NE2 GLN A 25 -21.482 2.860 27.593 1.00 0.00 N ATOM 0 H GLN A 25 -18.693 5.736 25.856 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.569 4.077 26.577 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.046 3.559 24.876 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.033 2.299 25.553 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.566 3.059 27.827 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.527 4.374 27.181 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.461 3.747 28.096 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.331 2.295 27.591 1.00 0.00 H new ATOM 371 N ILE A 26 -17.009 4.093 23.300 1.00 0.00 N ATOM 372 CA ILE A 26 -16.343 3.843 22.037 1.00 0.00 C ATOM 373 C ILE A 26 -15.381 4.979 21.666 1.00 0.00 C ATOM 374 O ILE A 26 -14.384 4.764 20.962 1.00 0.00 O ATOM 375 CB ILE A 26 -17.369 3.606 20.902 1.00 0.00 C ATOM 376 CG1 ILE A 26 -16.745 2.762 19.810 1.00 0.00 C ATOM 377 CG2 ILE A 26 -17.887 4.926 20.331 1.00 0.00 C ATOM 378 CD1 ILE A 26 -17.744 2.246 18.805 1.00 0.00 C ATOM 0 H ILE A 26 -18.002 4.308 23.215 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.752 2.936 22.161 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.222 3.073 21.321 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -15.991 3.353 19.291 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.229 1.916 20.265 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.605 4.722 19.537 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.373 5.498 21.121 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.053 5.500 19.927 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.228 1.650 18.052 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.484 1.628 19.313 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.243 3.087 18.323 1.00 0.00 H new ATOM 390 N LEU A 27 -15.676 6.181 22.157 1.00 0.00 N ATOM 391 CA LEU A 27 -14.865 7.352 21.864 1.00 0.00 C ATOM 392 C LEU A 27 -13.445 7.169 22.373 1.00 0.00 C ATOM 393 O LEU A 27 -12.507 7.575 21.728 1.00 0.00 O ATOM 394 CB LEU A 27 -15.478 8.611 22.468 1.00 0.00 C ATOM 395 CG LEU A 27 -14.801 9.922 22.092 1.00 0.00 C ATOM 396 CD1 LEU A 27 -14.890 10.158 20.592 1.00 0.00 C ATOM 397 CD2 LEU A 27 -15.421 11.078 22.851 1.00 0.00 C ATOM 0 H LEU A 27 -16.476 6.366 22.762 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.836 7.468 20.781 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.524 8.664 22.166 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.464 8.515 23.554 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.748 9.856 22.367 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.401 11.100 20.342 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.396 9.341 20.065 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.937 10.202 20.292 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.924 12.006 22.569 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.481 11.146 22.608 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.304 10.914 23.922 1.00 0.00 H new ATOM 409 N ALA A 28 -13.305 6.534 23.524 1.00 0.00 N ATOM 410 CA ALA A 28 -11.993 6.315 24.135 1.00 0.00 C ATOM 411 C ALA A 28 -10.999 5.664 23.154 1.00 0.00 C ATOM 412 O ALA A 28 -9.788 5.857 23.273 1.00 0.00 O ATOM 413 CB ALA A 28 -12.137 5.458 25.379 1.00 0.00 C ATOM 0 H ALA A 28 -14.085 6.157 24.062 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.590 7.290 24.408 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.156 5.300 25.827 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.786 5.962 26.095 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.572 4.496 25.109 1.00 0.00 H new ATOM 419 N TYR A 29 -11.514 4.897 22.202 1.00 0.00 N ATOM 420 CA TYR A 29 -10.664 4.254 21.210 1.00 0.00 C ATOM 421 C TYR A 29 -10.535 5.094 19.929 1.00 0.00 C ATOM 422 O TYR A 29 -9.432 5.319 19.432 1.00 0.00 O ATOM 423 CB TYR A 29 -11.197 2.851 20.865 1.00 0.00 C ATOM 424 CG TYR A 29 -10.347 2.112 19.842 1.00 0.00 C ATOM 425 CD1 TYR A 29 -9.241 1.368 20.232 1.00 0.00 C ATOM 426 CD2 TYR A 29 -10.652 2.170 18.486 1.00 0.00 C ATOM 427 CE1 TYR A 29 -8.464 0.704 19.300 1.00 0.00 C ATOM 428 CE2 TYR A 29 -9.883 1.509 17.552 1.00 0.00 C ATOM 429 CZ TYR A 29 -8.791 0.778 17.960 1.00 0.00 C ATOM 430 OH TYR A 29 -8.022 0.122 17.024 1.00 0.00 O ATOM 0 H TYR A 29 -12.510 4.706 22.096 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.671 4.164 21.651 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.251 2.257 21.777 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.214 2.941 20.483 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.984 1.307 21.279 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.507 2.743 18.159 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.606 0.131 19.618 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.137 1.565 16.504 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.392 0.278 16.130 1.00 0.00 H new ATOM 440 N PHE A 30 -11.661 5.574 19.414 1.00 0.00 N ATOM 441 CA PHE A 30 -11.674 6.261 18.118 1.00 0.00 C ATOM 442 C PHE A 30 -11.390 7.763 18.202 1.00 0.00 C ATOM 443 O PHE A 30 -11.210 8.414 17.173 1.00 0.00 O ATOM 444 CB PHE A 30 -12.985 6.007 17.381 1.00 0.00 C ATOM 445 CG PHE A 30 -13.103 4.621 16.805 1.00 0.00 C ATOM 446 CD1 PHE A 30 -12.532 4.319 15.578 1.00 0.00 C ATOM 447 CD2 PHE A 30 -13.780 3.623 17.486 1.00 0.00 C ATOM 448 CE1 PHE A 30 -12.635 3.050 15.040 1.00 0.00 C ATOM 449 CE2 PHE A 30 -13.887 2.350 16.955 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.314 2.064 15.728 1.00 0.00 C ATOM 0 H PHE A 30 -12.573 5.504 19.866 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.847 5.831 17.552 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.815 6.176 18.067 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.084 6.734 16.575 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.999 5.086 15.035 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.230 3.841 18.443 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.185 2.830 14.083 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -14.417 1.581 17.497 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.398 1.072 15.310 1.00 0.00 H new ATOM 460 N ALA A 31 -11.338 8.311 19.408 1.00 0.00 N ATOM 461 CA ALA A 31 -11.064 9.741 19.594 1.00 0.00 C ATOM 462 C ALA A 31 -9.711 10.115 19.028 1.00 0.00 C ATOM 463 O ALA A 31 -9.485 11.259 18.658 1.00 0.00 O ATOM 464 CB ALA A 31 -11.135 10.121 21.061 1.00 0.00 C ATOM 0 H ALA A 31 -11.481 7.793 20.275 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.831 10.295 19.052 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.928 11.185 21.172 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.131 9.903 21.445 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.396 9.548 21.621 1.00 0.00 H new ATOM 470 N GLN A 32 -8.816 9.136 18.969 1.00 0.00 N ATOM 471 CA GLN A 32 -7.488 9.333 18.411 1.00 0.00 C ATOM 472 C GLN A 32 -7.592 9.697 16.932 1.00 0.00 C ATOM 473 O GLN A 32 -6.766 10.432 16.402 1.00 0.00 O ATOM 474 CB GLN A 32 -6.653 8.055 18.563 1.00 0.00 C ATOM 475 CG GLN A 32 -6.365 7.653 20.005 1.00 0.00 C ATOM 476 CD GLN A 32 -5.491 8.658 20.738 1.00 0.00 C ATOM 477 OE1 GLN A 32 -4.641 9.319 20.140 1.00 0.00 O ATOM 478 NE2 GLN A 32 -5.684 8.768 22.036 1.00 0.00 N ATOM 0 H GLN A 32 -8.991 8.189 19.305 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.002 10.145 18.951 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.174 7.235 18.068 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.706 8.191 18.042 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.308 7.541 20.540 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.875 6.679 20.014 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.398 8.203 22.495 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.119 9.418 22.582 1.00 0.00 H new ATOM 487 N PHE A 33 -8.613 9.167 16.278 1.00 0.00 N ATOM 488 CA PHE A 33 -8.825 9.415 14.866 1.00 0.00 C ATOM 489 C PHE A 33 -9.678 10.661 14.666 1.00 0.00 C ATOM 490 O PHE A 33 -9.383 11.490 13.809 1.00 0.00 O ATOM 491 CB PHE A 33 -9.490 8.205 14.211 1.00 0.00 C ATOM 492 CG PHE A 33 -8.718 6.931 14.392 1.00 0.00 C ATOM 493 CD1 PHE A 33 -7.633 6.634 13.586 1.00 0.00 C ATOM 494 CD2 PHE A 33 -9.080 6.033 15.380 1.00 0.00 C ATOM 495 CE1 PHE A 33 -6.924 5.461 13.763 1.00 0.00 C ATOM 496 CE2 PHE A 33 -8.379 4.863 15.564 1.00 0.00 C ATOM 497 CZ PHE A 33 -7.298 4.574 14.757 1.00 0.00 C ATOM 0 H PHE A 33 -9.310 8.559 16.708 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.857 9.580 14.393 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.489 8.078 14.628 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.612 8.399 13.145 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.337 7.326 12.811 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -9.925 6.253 16.016 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.080 5.237 13.127 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.675 4.172 16.339 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.745 3.658 14.901 1.00 0.00 H new ATOM 507 N GLY A 34 -10.741 10.785 15.454 1.00 0.00 N ATOM 508 CA GLY A 34 -11.589 11.955 15.351 1.00 0.00 C ATOM 509 C GLY A 34 -12.882 11.827 16.131 1.00 0.00 C ATOM 510 O GLY A 34 -13.109 10.825 16.820 1.00 0.00 O ATOM 0 H GLY A 34 -11.028 10.102 16.156 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.041 12.826 15.710 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.822 12.135 14.302 1.00 0.00 H new ATOM 514 N GLU A 35 -13.706 12.859 16.049 1.00 0.00 N ATOM 515 CA GLU A 35 -15.017 12.880 16.688 1.00 0.00 C ATOM 516 C GLU A 35 -16.002 12.005 15.905 1.00 0.00 C ATOM 517 O GLU A 35 -15.866 11.848 14.687 1.00 0.00 O ATOM 518 CB GLU A 35 -15.549 14.332 16.842 1.00 0.00 C ATOM 519 CG GLU A 35 -14.930 15.368 15.883 1.00 0.00 C ATOM 520 CD GLU A 35 -13.487 15.743 16.239 1.00 0.00 C ATOM 521 OE1 GLU A 35 -13.279 16.466 17.231 1.00 0.00 O ATOM 522 OE2 GLU A 35 -12.564 15.304 15.518 1.00 0.00 O ATOM 0 H GLU A 35 -13.485 13.712 15.535 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.915 12.468 17.692 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -16.629 14.323 16.692 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.372 14.659 17.867 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.954 14.972 14.868 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.543 16.269 15.889 1.00 0.00 H new ATOM 529 N ILE A 36 -16.993 11.431 16.592 1.00 0.00 N ATOM 530 CA ILE A 36 -17.900 10.491 15.931 1.00 0.00 C ATOM 531 C ILE A 36 -19.364 10.923 15.976 1.00 0.00 C ATOM 532 O ILE A 36 -19.879 11.518 15.029 1.00 0.00 O ATOM 533 CB ILE A 36 -17.783 9.060 16.524 1.00 0.00 C ATOM 534 CG1 ILE A 36 -16.361 8.537 16.405 1.00 0.00 C ATOM 535 CG2 ILE A 36 -18.748 8.101 15.826 1.00 0.00 C ATOM 536 CD1 ILE A 36 -16.195 7.152 16.976 1.00 0.00 C ATOM 0 H ILE A 36 -17.185 11.595 17.580 1.00 0.00 H new ATOM 0 HA ILE A 36 -17.581 10.486 14.889 1.00 0.00 H new ATOM 0 HB ILE A 36 -18.047 9.118 17.580 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.069 8.529 15.355 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.684 9.220 16.919 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.648 7.105 16.258 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.771 8.453 15.959 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.514 8.060 14.762 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.159 6.833 16.862 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.457 7.161 18.034 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.848 6.459 16.446 1.00 0.00 H new ATOM 548 N LEU A 37 -20.022 10.614 17.083 1.00 0.00 N ATOM 549 CA LEU A 37 -21.450 10.837 17.232 1.00 0.00 C ATOM 550 C LEU A 37 -21.778 12.316 17.253 1.00 0.00 C ATOM 551 O LEU A 37 -22.264 12.881 16.266 1.00 0.00 O ATOM 552 CB LEU A 37 -21.919 10.187 18.525 1.00 0.00 C ATOM 553 CG LEU A 37 -21.586 8.708 18.666 1.00 0.00 C ATOM 554 CD1 LEU A 37 -21.172 8.417 20.074 1.00 0.00 C ATOM 555 CD2 LEU A 37 -22.773 7.845 18.286 1.00 0.00 C ATOM 0 H LEU A 37 -19.579 10.201 17.904 1.00 0.00 H new ATOM 0 HA LEU A 37 -21.963 10.394 16.379 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.477 10.724 19.364 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.999 10.309 18.603 1.00 0.00 H new ATOM 0 HG LEU A 37 -20.765 8.473 17.989 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -20.934 7.358 20.172 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -20.293 9.011 20.325 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -21.987 8.670 20.752 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -22.508 6.793 18.396 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -23.615 8.077 18.938 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -23.050 8.043 17.251 1.00 0.00 H new ATOM 567 N GLU A 38 -21.478 12.922 18.377 1.00 0.00 N ATOM 568 CA GLU A 38 -21.717 14.319 18.641 1.00 0.00 C ATOM 569 C GLU A 38 -21.122 14.600 20.013 1.00 0.00 C ATOM 570 O GLU A 38 -21.672 15.334 20.830 1.00 0.00 O ATOM 571 CB GLU A 38 -23.233 14.619 18.599 1.00 0.00 C ATOM 572 CG GLU A 38 -23.587 16.096 18.676 1.00 0.00 C ATOM 573 CD GLU A 38 -25.066 16.344 18.491 1.00 0.00 C ATOM 574 OE1 GLU A 38 -25.842 16.081 19.431 1.00 0.00 O ATOM 575 OE2 GLU A 38 -25.462 16.822 17.402 1.00 0.00 O ATOM 0 H GLU A 38 -21.044 12.436 19.162 1.00 0.00 H new ATOM 0 HA GLU A 38 -21.256 14.960 17.890 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -23.646 14.207 17.678 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -23.716 14.099 19.426 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -23.273 16.492 19.642 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -23.032 16.640 17.912 1.00 0.00 H new ATOM 582 N ASP A 39 -19.963 13.988 20.236 1.00 0.00 N ATOM 583 CA ASP A 39 -19.260 14.045 21.506 1.00 0.00 C ATOM 584 C ASP A 39 -18.896 15.461 21.919 1.00 0.00 C ATOM 585 O ASP A 39 -18.443 16.274 21.115 1.00 0.00 O ATOM 586 CB ASP A 39 -18.020 13.133 21.488 1.00 0.00 C ATOM 587 CG ASP A 39 -17.228 13.203 20.188 1.00 0.00 C ATOM 588 OD1 ASP A 39 -17.731 12.682 19.153 1.00 0.00 O ATOM 589 OD2 ASP A 39 -16.098 13.742 20.199 1.00 0.00 O ATOM 0 H ASP A 39 -19.482 13.432 19.528 1.00 0.00 H new ATOM 0 HA ASP A 39 -19.952 13.675 22.263 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.367 13.406 22.317 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.335 12.103 21.657 1.00 0.00 H new ATOM 594 N LEU A 40 -19.114 15.736 23.192 1.00 0.00 N ATOM 595 CA LEU A 40 -18.868 17.044 23.769 1.00 0.00 C ATOM 596 C LEU A 40 -17.510 17.096 24.457 1.00 0.00 C ATOM 597 O LEU A 40 -16.962 18.167 24.682 1.00 0.00 O ATOM 598 CB LEU A 40 -19.978 17.415 24.766 1.00 0.00 C ATOM 599 CG LEU A 40 -20.351 16.335 25.801 1.00 0.00 C ATOM 600 CD1 LEU A 40 -20.846 16.982 27.079 1.00 0.00 C ATOM 601 CD2 LEU A 40 -21.431 15.404 25.250 1.00 0.00 C ATOM 0 H LEU A 40 -19.470 15.052 23.860 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.868 17.769 22.955 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -19.671 18.313 25.303 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -20.874 17.672 24.201 1.00 0.00 H new ATOM 0 HG LEU A 40 -19.457 15.749 26.014 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -21.106 16.208 27.801 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -20.062 17.616 27.493 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -21.726 17.587 26.863 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -21.678 14.650 25.998 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -22.323 15.983 25.010 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -21.063 14.914 24.348 1.00 0.00 H new ATOM 1035 N SER A 67 -21.086 18.125 11.987 1.00 0.00 N ATOM 1036 CA SER A 67 -20.800 18.456 10.605 1.00 0.00 C ATOM 1037 C SER A 67 -21.546 17.474 9.728 1.00 0.00 C ATOM 1038 O SER A 67 -22.162 17.839 8.730 1.00 0.00 O ATOM 1039 CB SER A 67 -19.286 18.387 10.315 1.00 0.00 C ATOM 1040 OG SER A 67 -18.991 18.765 8.981 1.00 0.00 O ATOM 0 HA SER A 67 -21.122 19.477 10.399 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.753 19.041 11.005 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.927 17.374 10.494 1.00 0.00 H new ATOM 0 HG SER A 67 -18.024 18.711 8.832 1.00 0.00 H new ATOM 1046 N ARG A 68 -21.500 16.224 10.139 1.00 0.00 N ATOM 1047 CA ARG A 68 -22.190 15.157 9.458 1.00 0.00 C ATOM 1048 C ARG A 68 -23.547 14.912 10.112 1.00 0.00 C ATOM 1049 O ARG A 68 -23.687 15.020 11.336 1.00 0.00 O ATOM 1050 CB ARG A 68 -21.356 13.886 9.514 1.00 0.00 C ATOM 1051 CG ARG A 68 -22.058 12.665 8.952 1.00 0.00 C ATOM 1052 CD ARG A 68 -22.010 11.525 9.946 1.00 0.00 C ATOM 1053 NE ARG A 68 -22.692 11.870 11.199 1.00 0.00 N ATOM 1054 CZ ARG A 68 -22.075 11.992 12.384 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -20.760 11.838 12.463 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -22.770 12.289 13.480 1.00 0.00 N ATOM 0 H ARG A 68 -20.978 15.921 10.961 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.343 15.441 8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -20.430 14.046 8.962 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -21.080 13.690 10.550 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -23.094 12.909 8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -21.584 12.362 8.019 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -22.475 10.641 9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.972 11.268 10.155 1.00 0.00 H new ATOM 0 HE ARG A 68 -23.699 12.027 11.167 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -20.220 11.627 11.624 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -20.289 11.930 13.363 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -23.779 12.426 13.423 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -22.293 12.380 14.377 1.00 0.00 H new ATOM 1070 N GLU A 69 -24.532 14.595 9.303 1.00 0.00 N ATOM 1071 CA GLU A 69 -25.871 14.312 9.788 1.00 0.00 C ATOM 1072 C GLU A 69 -26.009 12.836 10.184 1.00 0.00 C ATOM 1073 O GLU A 69 -25.321 11.972 9.640 1.00 0.00 O ATOM 1074 CB GLU A 69 -26.895 14.693 8.716 1.00 0.00 C ATOM 1075 CG GLU A 69 -28.337 14.428 9.100 1.00 0.00 C ATOM 1076 CD GLU A 69 -29.311 15.001 8.100 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -29.518 14.383 7.040 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -29.878 16.083 8.371 1.00 0.00 O ATOM 0 H GLU A 69 -24.432 14.525 8.290 1.00 0.00 H new ATOM 0 HA GLU A 69 -26.059 14.908 10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -26.783 15.752 8.485 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -26.668 14.142 7.803 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -28.496 13.353 9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -28.534 14.857 10.082 1.00 0.00 H new ATOM 1085 N HIS A 70 -26.867 12.564 11.161 1.00 0.00 N ATOM 1086 CA HIS A 70 -27.129 11.199 11.598 1.00 0.00 C ATOM 1087 C HIS A 70 -28.580 11.052 12.032 1.00 0.00 C ATOM 1088 O HIS A 70 -29.105 11.884 12.776 1.00 0.00 O ATOM 1089 CB HIS A 70 -26.160 10.758 12.727 1.00 0.00 C ATOM 1090 CG HIS A 70 -26.195 11.602 13.981 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -25.536 12.807 14.095 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -26.785 11.389 15.184 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -25.717 13.296 15.316 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -26.470 12.455 15.994 1.00 0.00 N ATOM 0 H HIS A 70 -27.395 13.275 11.667 1.00 0.00 H new ATOM 0 HA HIS A 70 -26.951 10.538 10.750 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -26.390 9.727 12.997 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -25.144 10.765 12.333 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -27.391 10.538 15.456 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -25.315 14.226 15.690 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -26.770 12.575 16.961 1.00 0.00 H new ATOM 1102 N GLY A 71 -29.226 10.005 11.552 1.00 0.00 N ATOM 1103 CA GLY A 71 -30.618 9.780 11.875 1.00 0.00 C ATOM 1104 C GLY A 71 -30.804 8.684 12.896 1.00 0.00 C ATOM 1105 O GLY A 71 -31.485 8.873 13.903 1.00 0.00 O ATOM 0 H GLY A 71 -28.810 9.302 10.941 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -31.054 10.704 12.255 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -31.162 9.522 10.966 1.00 0.00 H new ATOM 1109 N ARG A 72 -30.198 7.537 12.642 1.00 0.00 N ATOM 1110 CA ARG A 72 -30.323 6.403 13.543 1.00 0.00 C ATOM 1111 C ARG A 72 -28.948 5.948 14.017 1.00 0.00 C ATOM 1112 O ARG A 72 -28.051 6.764 14.223 1.00 0.00 O ATOM 1113 CB ARG A 72 -31.061 5.243 12.855 1.00 0.00 C ATOM 1114 CG ARG A 72 -32.412 5.625 12.265 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.406 6.053 13.335 1.00 0.00 C ATOM 1116 NE ARG A 72 -34.701 6.394 12.751 1.00 0.00 N ATOM 1117 CZ ARG A 72 -35.509 7.351 13.203 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -35.191 8.045 14.290 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -36.645 7.604 12.571 1.00 0.00 N ATOM 0 H ARG A 72 -29.616 7.366 11.822 1.00 0.00 H new ATOM 0 HA ARG A 72 -30.905 6.716 14.410 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -30.429 4.846 12.060 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -31.207 4.440 13.578 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -32.278 6.437 11.550 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -32.818 4.778 11.712 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -33.532 5.249 14.060 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -33.012 6.912 13.878 1.00 0.00 H new ATOM 0 HE ARG A 72 -35.009 5.860 11.938 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -34.322 7.847 14.786 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -35.816 8.776 14.629 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -36.898 7.067 11.742 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -37.267 8.336 12.914 1.00 0.00 H new ATOM 1133 N THR A 73 -28.791 4.648 14.159 1.00 0.00 N ATOM 1134 CA THR A 73 -27.579 4.042 14.682 1.00 0.00 C ATOM 1135 C THR A 73 -26.436 3.986 13.640 1.00 0.00 C ATOM 1136 O THR A 73 -25.644 3.032 13.622 1.00 0.00 O ATOM 1137 CB THR A 73 -27.900 2.623 15.168 1.00 0.00 C ATOM 1138 OG1 THR A 73 -28.507 1.874 14.098 1.00 0.00 O ATOM 1139 CG2 THR A 73 -28.862 2.672 16.343 1.00 0.00 C ATOM 0 H THR A 73 -29.512 3.970 13.911 1.00 0.00 H new ATOM 0 HA THR A 73 -27.229 4.666 15.504 1.00 0.00 H new ATOM 0 HB THR A 73 -26.973 2.143 15.482 1.00 0.00 H new ATOM 0 HG1 THR A 73 -28.710 0.967 14.408 1.00 0.00 H new ATOM 0 HG21 THR A 73 -29.080 1.658 16.677 1.00 0.00 H new ATOM 0 HG22 THR A 73 -28.410 3.234 17.160 1.00 0.00 H new ATOM 0 HG23 THR A 73 -29.787 3.160 16.036 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.342 5.010 12.801 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.305 5.068 11.784 1.00 0.00 C ATOM 1149 C TRP A 74 -24.551 6.391 11.830 1.00 0.00 C ATOM 1150 O TRP A 74 -25.147 7.458 12.003 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.889 4.822 10.377 1.00 0.00 C ATOM 1152 CG TRP A 74 -27.100 5.661 10.029 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -28.410 5.315 10.202 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -27.113 6.973 9.426 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -29.232 6.321 9.751 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -28.463 7.344 9.271 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -26.117 7.867 9.004 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -28.843 8.565 8.717 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -26.502 9.079 8.453 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -27.850 9.415 8.315 1.00 0.00 C ATOM 0 H TRP A 74 -26.973 5.811 12.807 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.594 4.271 12.001 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -25.110 5.012 9.639 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -26.159 3.769 10.291 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.751 4.385 10.631 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -30.252 6.306 9.771 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -25.072 7.616 9.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -29.884 8.830 8.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -25.745 9.776 8.124 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -28.115 10.368 7.881 1.00 0.00 H new ATOM 1171 N THR A 75 -23.238 6.313 11.714 1.00 0.00 N ATOM 1172 CA THR A 75 -22.393 7.489 11.699 1.00 0.00 C ATOM 1173 C THR A 75 -21.318 7.374 10.611 1.00 0.00 C ATOM 1174 O THR A 75 -20.524 6.434 10.606 1.00 0.00 O ATOM 1175 CB THR A 75 -21.723 7.700 13.083 1.00 0.00 C ATOM 1176 OG1 THR A 75 -22.733 7.910 14.078 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.759 8.888 13.073 1.00 0.00 C ATOM 0 H THR A 75 -22.730 5.433 11.628 1.00 0.00 H new ATOM 0 HA THR A 75 -23.023 8.351 11.478 1.00 0.00 H new ATOM 0 HB THR A 75 -21.147 6.804 13.315 1.00 0.00 H new ATOM 0 HG1 THR A 75 -22.309 8.041 14.952 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.311 9.002 14.060 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.975 8.714 12.337 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.304 9.796 12.815 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.315 8.318 9.685 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.290 8.358 8.652 1.00 0.00 C ATOM 1187 C LYS A 76 -19.088 9.124 9.180 1.00 0.00 C ATOM 1188 O LYS A 76 -19.188 10.314 9.486 1.00 0.00 O ATOM 1189 CB LYS A 76 -20.826 9.012 7.359 1.00 0.00 C ATOM 1190 CG LYS A 76 -19.813 9.045 6.211 1.00 0.00 C ATOM 1191 CD LYS A 76 -20.412 9.646 4.938 1.00 0.00 C ATOM 1192 CE LYS A 76 -20.695 11.138 5.088 1.00 0.00 C ATOM 1193 NZ LYS A 76 -21.248 11.728 3.838 1.00 0.00 N ATOM 0 H LYS A 76 -22.007 9.065 9.626 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.995 7.339 8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -21.713 8.471 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.139 10.032 7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.942 9.627 6.512 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.464 8.033 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.726 9.489 4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -21.337 9.125 4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -21.400 11.293 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.775 11.656 5.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.426 12.742 3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.565 11.603 3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -22.139 11.251 3.594 1.00 0.00 H new ATOM 1207 N LEU A 77 -17.967 8.453 9.284 1.00 0.00 N ATOM 1208 CA LEU A 77 -16.775 9.064 9.825 1.00 0.00 C ATOM 1209 C LEU A 77 -15.793 9.330 8.691 1.00 0.00 C ATOM 1210 O LEU A 77 -15.430 8.419 7.940 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.151 8.139 10.897 1.00 0.00 C ATOM 1212 CG LEU A 77 -15.140 8.777 11.877 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -14.860 7.830 13.029 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -13.836 9.148 11.186 1.00 0.00 C ATOM 0 H LEU A 77 -17.854 7.480 9.000 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.024 10.012 10.302 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.962 7.705 11.482 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.652 7.316 10.385 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.588 9.695 12.258 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -14.147 8.290 13.713 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.788 7.619 13.560 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -14.444 6.900 12.642 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.154 9.593 11.911 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.381 8.253 10.762 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.037 9.864 10.390 1.00 0.00 H new ATOM 1226 N THR A 78 -15.387 10.574 8.555 1.00 0.00 N ATOM 1227 CA THR A 78 -14.471 10.950 7.510 1.00 0.00 C ATOM 1228 C THR A 78 -13.041 10.953 8.033 1.00 0.00 C ATOM 1229 O THR A 78 -12.595 11.918 8.655 1.00 0.00 O ATOM 1230 CB THR A 78 -14.834 12.341 6.956 1.00 0.00 C ATOM 1231 OG1 THR A 78 -16.216 12.346 6.576 1.00 0.00 O ATOM 1232 CG2 THR A 78 -13.974 12.692 5.747 1.00 0.00 C ATOM 0 H THR A 78 -15.680 11.342 9.159 1.00 0.00 H new ATOM 0 HA THR A 78 -14.547 10.220 6.705 1.00 0.00 H new ATOM 0 HB THR A 78 -14.651 13.084 7.732 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.455 13.229 6.224 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.252 13.679 5.377 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.923 12.696 6.037 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.131 11.953 4.962 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.338 9.853 7.805 1.00 0.00 N ATOM 1241 CA TYR A 79 -10.956 9.725 8.236 1.00 0.00 C ATOM 1242 C TYR A 79 -10.029 10.616 7.429 1.00 0.00 C ATOM 1243 O TYR A 79 -9.131 11.243 7.986 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.487 8.271 8.150 1.00 0.00 C ATOM 1245 CG TYR A 79 -11.060 7.374 9.224 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -10.494 7.342 10.494 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -12.157 6.561 8.975 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -11.006 6.527 11.483 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.671 5.743 9.961 1.00 0.00 C ATOM 1250 CZ TYR A 79 -12.094 5.730 11.211 1.00 0.00 C ATOM 1251 OH TYR A 79 -12.604 4.911 12.190 1.00 0.00 O ATOM 0 H TYR A 79 -12.705 9.033 7.322 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.916 10.049 9.276 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.758 7.870 7.173 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.399 8.247 8.213 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.639 7.966 10.710 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.615 6.568 7.997 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.555 6.515 12.464 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.524 5.114 9.752 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.260 5.192 13.064 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.255 10.652 6.106 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.424 11.425 5.156 1.00 0.00 C ATOM 1263 C ALA A 80 -8.034 10.799 4.986 1.00 0.00 C ATOM 1264 O ALA A 80 -7.541 10.672 3.869 1.00 0.00 O ATOM 1265 CB ALA A 80 -9.315 12.890 5.559 1.00 0.00 C ATOM 0 H ALA A 80 -11.020 10.146 5.659 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.929 11.387 4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.697 13.421 4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.309 13.336 5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.861 12.963 6.547 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.416 10.414 6.092 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.122 9.745 6.063 1.00 0.00 C ATOM 1273 C ASN A 81 -6.271 8.298 5.594 1.00 0.00 C ATOM 1274 O ASN A 81 -7.075 7.532 6.135 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.404 9.826 7.440 1.00 0.00 C ATOM 1276 CG ASN A 81 -6.304 9.574 8.656 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -6.078 10.133 9.731 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -7.306 8.731 8.510 1.00 0.00 N ATOM 0 H ASN A 81 -7.793 10.555 7.029 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.492 10.268 5.344 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.591 9.100 7.452 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.952 10.813 7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.919 8.526 9.299 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.469 8.283 7.608 1.00 0.00 H new ATOM 1285 N HIS A 82 -5.503 7.940 4.581 1.00 0.00 N ATOM 1286 CA HIS A 82 -5.576 6.615 3.965 1.00 0.00 C ATOM 1287 C HIS A 82 -5.111 5.509 4.918 1.00 0.00 C ATOM 1288 O HIS A 82 -5.701 4.435 4.956 1.00 0.00 O ATOM 1289 CB HIS A 82 -4.758 6.590 2.670 1.00 0.00 C ATOM 1290 CG HIS A 82 -4.863 5.304 1.897 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -3.845 4.380 1.835 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -5.865 4.802 1.135 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -4.212 3.370 1.070 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -5.433 3.601 0.633 1.00 0.00 N ATOM 0 H HIS A 82 -4.809 8.555 4.157 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.622 6.417 3.732 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.084 7.412 2.032 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.711 6.771 2.912 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.826 5.262 0.956 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.613 2.501 0.841 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.970 2.987 0.021 1.00 0.00 H new ATOM 1302 N SER A 83 -4.069 5.782 5.686 1.00 0.00 N ATOM 1303 CA SER A 83 -3.497 4.786 6.588 1.00 0.00 C ATOM 1304 C SER A 83 -4.526 4.306 7.619 1.00 0.00 C ATOM 1305 O SER A 83 -4.663 3.096 7.862 1.00 0.00 O ATOM 1306 CB SER A 83 -2.258 5.359 7.290 1.00 0.00 C ATOM 1307 OG SER A 83 -1.646 4.395 8.125 1.00 0.00 O ATOM 0 H SER A 83 -3.598 6.687 5.705 1.00 0.00 H new ATOM 0 HA SER A 83 -3.200 3.923 5.993 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.542 5.703 6.544 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.543 6.228 7.883 1.00 0.00 H new ATOM 0 HG SER A 83 -0.859 4.789 8.557 1.00 0.00 H new ATOM 1313 N SER A 84 -5.268 5.239 8.200 1.00 0.00 N ATOM 1314 CA SER A 84 -6.266 4.893 9.199 1.00 0.00 C ATOM 1315 C SER A 84 -7.537 4.349 8.536 1.00 0.00 C ATOM 1316 O SER A 84 -8.358 3.702 9.189 1.00 0.00 O ATOM 1317 CB SER A 84 -6.588 6.110 10.063 1.00 0.00 C ATOM 1318 OG SER A 84 -5.403 6.654 10.638 1.00 0.00 O ATOM 0 H SER A 84 -5.197 6.236 7.997 1.00 0.00 H new ATOM 0 HA SER A 84 -5.859 4.109 9.837 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.085 6.869 9.459 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.283 5.826 10.853 1.00 0.00 H new ATOM 0 HG SER A 84 -5.633 7.433 11.186 1.00 0.00 H new ATOM 1324 N TYR A 85 -7.682 4.608 7.232 1.00 0.00 N ATOM 1325 CA TYR A 85 -8.829 4.119 6.464 1.00 0.00 C ATOM 1326 C TYR A 85 -8.876 2.595 6.466 1.00 0.00 C ATOM 1327 O TYR A 85 -9.911 2.006 6.735 1.00 0.00 O ATOM 1328 CB TYR A 85 -8.778 4.653 5.021 1.00 0.00 C ATOM 1329 CG TYR A 85 -9.830 4.071 4.087 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -11.137 4.533 4.106 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -9.504 3.066 3.181 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -12.093 4.014 3.250 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -10.452 2.540 2.323 1.00 0.00 C ATOM 1334 CZ TYR A 85 -11.744 3.017 2.360 1.00 0.00 C ATOM 1335 OH TYR A 85 -12.694 2.497 1.501 1.00 0.00 O ATOM 0 H TYR A 85 -7.016 5.155 6.686 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.738 4.488 6.940 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.894 5.737 5.045 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -7.791 4.447 4.607 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.414 5.312 4.801 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.492 2.690 3.148 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.106 4.387 3.278 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.181 1.759 1.628 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.284 1.805 0.940 1.00 0.00 H new ATOM 1345 N LEU A 86 -7.737 1.970 6.200 1.00 0.00 N ATOM 1346 CA LEU A 86 -7.642 0.508 6.163 1.00 0.00 C ATOM 1347 C LEU A 86 -7.971 -0.083 7.519 1.00 0.00 C ATOM 1348 O LEU A 86 -8.628 -1.117 7.622 1.00 0.00 O ATOM 1349 CB LEU A 86 -6.241 0.058 5.737 1.00 0.00 C ATOM 1350 CG LEU A 86 -5.930 0.095 4.235 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -6.977 -0.674 3.439 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -5.815 1.522 3.734 1.00 0.00 C ATOM 0 H LEU A 86 -6.859 2.451 6.005 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.364 0.150 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.512 0.685 6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.090 -0.962 6.090 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.967 -0.393 4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.731 -0.631 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.992 -1.714 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.958 -0.228 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.594 1.516 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.755 2.045 3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.013 2.031 4.268 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.507 0.583 8.551 1.00 0.00 N ATOM 1365 CA ARG A 87 -7.736 0.159 9.920 1.00 0.00 C ATOM 1366 C ARG A 87 -9.241 0.107 10.233 1.00 0.00 C ATOM 1367 O ARG A 87 -9.685 -0.693 11.051 1.00 0.00 O ATOM 1368 CB ARG A 87 -7.008 1.103 10.879 1.00 0.00 C ATOM 1369 CG ARG A 87 -7.086 0.702 12.343 1.00 0.00 C ATOM 1370 CD ARG A 87 -6.215 1.605 13.200 1.00 0.00 C ATOM 1371 NE ARG A 87 -4.797 1.462 12.867 1.00 0.00 N ATOM 1372 CZ ARG A 87 -3.809 2.179 13.410 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -4.077 3.101 14.333 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -2.555 1.973 13.030 1.00 0.00 N ATOM 0 H ARG A 87 -6.957 1.438 8.468 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.339 -0.848 10.050 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.959 1.159 10.587 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.424 2.104 10.768 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.120 0.757 12.684 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.767 -0.334 12.458 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.519 2.643 13.061 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.368 1.366 14.252 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.544 0.763 12.168 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.040 3.262 14.628 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.319 3.646 14.745 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.345 1.268 12.324 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.800 2.520 13.444 1.00 0.00 H new ATOM 1388 N ALA A 88 -10.012 0.960 9.567 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.463 1.024 9.763 1.00 0.00 C ATOM 1390 C ALA A 88 -12.188 -0.166 9.112 1.00 0.00 C ATOM 1391 O ALA A 88 -13.346 -0.417 9.393 1.00 0.00 O ATOM 1392 CB ALA A 88 -12.008 2.335 9.225 1.00 0.00 C ATOM 0 H ALA A 88 -9.656 1.624 8.880 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.651 0.970 10.835 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.087 2.370 9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.540 3.167 9.752 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.789 2.410 8.160 1.00 0.00 H new ATOM 1398 N LEU A 89 -11.485 -0.896 8.263 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.059 -2.052 7.551 1.00 0.00 C ATOM 1400 C LEU A 89 -12.161 -3.290 8.445 1.00 0.00 C ATOM 1401 O LEU A 89 -12.630 -4.338 8.003 1.00 0.00 O ATOM 1402 CB LEU A 89 -11.275 -2.381 6.268 1.00 0.00 C ATOM 1403 CG LEU A 89 -11.671 -1.601 4.998 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -13.099 -1.926 4.589 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -11.505 -0.107 5.192 1.00 0.00 C ATOM 0 H LEU A 89 -10.506 -0.716 8.041 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.071 -1.762 7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.217 -2.204 6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.388 -3.446 6.063 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.000 -1.913 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.357 -1.365 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.186 -2.994 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.780 -1.653 5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.793 0.413 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.139 0.226 6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.464 0.116 5.424 1.00 0.00 H new ATOM 1417 N ARG A 90 -11.677 -3.165 9.686 1.00 0.00 N ATOM 1418 CA ARG A 90 -11.647 -4.269 10.677 1.00 0.00 C ATOM 1419 C ARG A 90 -13.052 -4.817 11.077 1.00 0.00 C ATOM 1420 O ARG A 90 -13.265 -5.212 12.233 1.00 0.00 O ATOM 1421 CB ARG A 90 -10.907 -3.813 11.941 1.00 0.00 C ATOM 1422 CG ARG A 90 -11.549 -2.629 12.651 1.00 0.00 C ATOM 1423 CD ARG A 90 -10.800 -2.278 13.927 1.00 0.00 C ATOM 1424 NE ARG A 90 -10.912 -3.335 14.939 1.00 0.00 N ATOM 1425 CZ ARG A 90 -10.283 -3.327 16.116 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -9.458 -2.334 16.431 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -10.469 -4.320 16.975 1.00 0.00 N ATOM 0 H ARG A 90 -11.290 -2.291 10.043 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.125 -5.090 10.186 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.849 -4.651 12.636 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.884 -3.550 11.674 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.562 -1.766 11.985 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.587 -2.864 12.889 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.749 -2.108 13.695 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.192 -1.345 14.332 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.513 -4.132 14.728 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.302 -1.572 15.771 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.981 -2.334 17.332 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.093 -5.091 16.736 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.988 -4.313 17.874 1.00 0.00 H new ATOM 1441 N GLU A 91 -13.977 -4.872 10.142 1.00 0.00 N ATOM 1442 CA GLU A 91 -15.293 -5.433 10.408 1.00 0.00 C ATOM 1443 C GLU A 91 -15.226 -6.958 10.313 1.00 0.00 C ATOM 1444 O GLU A 91 -15.630 -7.554 9.306 1.00 0.00 O ATOM 1445 CB GLU A 91 -16.335 -4.899 9.416 1.00 0.00 C ATOM 1446 CG GLU A 91 -17.747 -5.401 9.690 1.00 0.00 C ATOM 1447 CD GLU A 91 -18.720 -5.040 8.597 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -18.967 -3.852 8.378 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -19.250 -5.967 7.943 1.00 0.00 O ATOM 0 H GLU A 91 -13.846 -4.536 9.188 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.596 -5.136 11.412 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -16.332 -3.810 9.450 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.045 -5.188 8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.726 -6.484 9.807 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -18.098 -4.985 10.634 1.00 0.00 H new ATOM 1456 N HIS A 92 -14.662 -7.581 11.332 1.00 0.00 N ATOM 1457 CA HIS A 92 -14.557 -9.031 11.377 1.00 0.00 C ATOM 1458 C HIS A 92 -14.901 -9.537 12.760 1.00 0.00 C ATOM 1459 O HIS A 92 -15.951 -10.129 12.969 1.00 0.00 O ATOM 1460 CB HIS A 92 -13.149 -9.500 10.972 1.00 0.00 C ATOM 1461 CG HIS A 92 -12.789 -9.166 9.561 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -12.101 -8.025 9.212 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -13.046 -9.813 8.402 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -11.954 -7.984 7.901 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -12.518 -9.055 7.387 1.00 0.00 N ATOM 0 H HIS A 92 -14.268 -7.105 12.143 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.268 -9.444 10.661 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -12.418 -9.047 11.641 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -13.081 -10.579 11.110 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -13.569 -10.752 8.295 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -11.455 -7.204 7.345 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.557 -9.285 6.394 1.00 0.00 H new ATOM 1473 N GLY A 93 -14.027 -9.275 13.711 1.00 0.00 N ATOM 1474 CA GLY A 93 -14.253 -9.718 15.064 1.00 0.00 C ATOM 1475 C GLY A 93 -14.252 -8.569 16.037 1.00 0.00 C ATOM 1476 O GLY A 93 -13.895 -8.731 17.202 1.00 0.00 O ATOM 0 H GLY A 93 -13.158 -8.759 13.569 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.208 -10.241 15.120 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.480 -10.433 15.346 1.00 0.00 H new ATOM 1480 N THR A 94 -14.642 -7.403 15.561 1.00 0.00 N ATOM 1481 CA THR A 94 -14.676 -6.225 16.398 1.00 0.00 C ATOM 1482 C THR A 94 -16.057 -6.044 17.030 1.00 0.00 C ATOM 1483 O THR A 94 -16.968 -5.475 16.422 1.00 0.00 O ATOM 1484 CB THR A 94 -14.283 -4.955 15.606 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.015 -5.164 14.959 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.175 -3.752 16.536 1.00 0.00 C ATOM 0 H THR A 94 -14.940 -7.248 14.598 1.00 0.00 H new ATOM 0 HA THR A 94 -13.943 -6.370 17.192 1.00 0.00 H new ATOM 0 HB THR A 94 -15.055 -4.759 14.862 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.146 -5.209 13.989 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.898 -2.870 15.959 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.135 -3.581 17.022 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.414 -3.944 17.293 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.205 -6.564 18.238 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.443 -6.452 18.985 1.00 0.00 C ATOM 1496 C ILE A 95 -17.234 -5.582 20.217 1.00 0.00 C ATOM 1497 O ILE A 95 -16.311 -5.817 21.009 1.00 0.00 O ATOM 1498 CB ILE A 95 -17.977 -7.849 19.410 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -18.376 -8.658 18.173 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -19.156 -7.718 20.371 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -18.710 -10.105 18.469 1.00 0.00 C ATOM 0 H ILE A 95 -15.469 -7.075 18.726 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.185 -5.989 18.335 1.00 0.00 H new ATOM 0 HB ILE A 95 -17.179 -8.377 19.933 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -19.239 -8.185 17.704 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.561 -8.624 17.450 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -19.509 -8.710 20.651 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -18.839 -7.180 21.264 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -19.963 -7.170 19.884 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -18.983 -10.612 17.544 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -17.842 -10.596 18.910 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -19.546 -10.150 19.167 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.074 -4.577 20.365 1.00 0.00 N ATOM 1514 CA TYR A 96 -17.995 -3.672 21.488 1.00 0.00 C ATOM 1515 C TYR A 96 -19.383 -3.497 22.099 1.00 0.00 C ATOM 1516 O TYR A 96 -20.367 -3.359 21.375 1.00 0.00 O ATOM 1517 CB TYR A 96 -17.432 -2.312 21.043 1.00 0.00 C ATOM 1518 CG TYR A 96 -17.047 -1.412 22.197 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -17.978 -0.580 22.806 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -15.750 -1.412 22.688 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -17.623 0.226 23.867 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -15.387 -0.613 23.750 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.326 0.205 24.337 1.00 0.00 C ATOM 1524 OH TYR A 96 -15.966 0.999 25.401 1.00 0.00 O ATOM 0 H TYR A 96 -18.828 -4.367 19.711 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.323 -4.091 22.237 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.557 -2.478 20.414 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -18.175 -1.804 20.428 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -18.995 -0.564 22.443 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -15.010 -2.051 22.229 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -18.357 0.871 24.328 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.372 -0.628 24.120 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.017 0.862 25.605 1.00 0.00 H new ATOM 1534 N CYS A 97 -19.451 -3.538 23.430 1.00 0.00 N ATOM 1535 CA CYS A 97 -20.715 -3.382 24.165 1.00 0.00 C ATOM 1536 C CYS A 97 -21.682 -4.537 23.850 1.00 0.00 C ATOM 1537 O CYS A 97 -22.881 -4.462 24.126 1.00 0.00 O ATOM 1538 CB CYS A 97 -21.362 -2.015 23.851 1.00 0.00 C ATOM 1539 SG CYS A 97 -22.773 -1.591 24.906 1.00 0.00 S ATOM 0 H CYS A 97 -18.638 -3.679 24.030 1.00 0.00 H new ATOM 0 HA CYS A 97 -20.494 -3.415 25.232 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -20.604 -1.238 23.950 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -21.688 -2.012 22.811 1.00 0.00 H new ATOM 0 HG CYS A 97 -23.527 -2.638 25.064 1.00 0.00 H new ATOM 1545 N GLY A 98 -21.140 -5.614 23.294 1.00 0.00 N ATOM 1546 CA GLY A 98 -21.948 -6.769 22.969 1.00 0.00 C ATOM 1547 C GLY A 98 -22.486 -6.747 21.551 1.00 0.00 C ATOM 1548 O GLY A 98 -23.282 -7.603 21.176 1.00 0.00 O ATOM 0 H GLY A 98 -20.151 -5.706 23.062 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -21.353 -7.671 23.110 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -22.784 -6.826 23.666 1.00 0.00 H new ATOM 1552 N ALA A 99 -22.050 -5.782 20.764 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.493 -5.672 19.384 1.00 0.00 C ATOM 1554 C ALA A 99 -21.310 -5.505 18.446 1.00 0.00 C ATOM 1555 O ALA A 99 -20.299 -4.901 18.810 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.447 -4.505 19.231 1.00 0.00 C ATOM 0 H ALA A 99 -21.389 -5.062 21.055 1.00 0.00 H new ATOM 0 HA ALA A 99 -23.013 -6.593 19.120 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -23.771 -4.434 18.193 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.315 -4.658 19.872 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -22.942 -3.582 19.518 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.427 -6.053 17.255 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.379 -5.931 16.261 1.00 0.00 C ATOM 1564 C ALA A 100 -20.578 -4.664 15.462 1.00 0.00 C ATOM 1565 O ALA A 100 -21.646 -4.449 14.883 1.00 0.00 O ATOM 1566 CB ALA A 100 -20.359 -7.143 15.334 1.00 0.00 C ATOM 0 H ALA A 100 -22.239 -6.589 16.950 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.419 -5.885 16.775 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.563 -7.025 14.598 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -20.182 -8.046 15.919 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -21.318 -7.225 14.822 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.564 -3.831 15.424 1.00 0.00 N ATOM 1573 CA ILE A 101 -19.659 -2.587 14.703 1.00 0.00 C ATOM 1574 C ILE A 101 -19.327 -2.797 13.230 1.00 0.00 C ATOM 1575 O ILE A 101 -18.343 -3.459 12.886 1.00 0.00 O ATOM 1576 CB ILE A 101 -18.758 -1.477 15.314 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.284 -1.894 15.314 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -19.219 -1.150 16.734 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -16.344 -0.796 15.769 1.00 0.00 C ATOM 0 H ILE A 101 -18.668 -3.993 15.883 1.00 0.00 H new ATOM 0 HA ILE A 101 -20.690 -2.244 14.790 1.00 0.00 H new ATOM 0 HB ILE A 101 -18.852 -0.585 14.695 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.160 -2.760 15.964 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.004 -2.208 14.308 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -18.582 -0.372 17.153 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -20.251 -0.800 16.710 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.154 -2.045 17.353 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -15.318 -1.162 15.744 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -16.439 0.063 15.105 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -16.598 -0.498 16.786 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.168 -2.258 12.373 1.00 0.00 N ATOM 1592 CA GLY A 102 -19.977 -2.407 10.953 1.00 0.00 C ATOM 1593 C GLY A 102 -19.335 -1.191 10.344 1.00 0.00 C ATOM 1594 O GLY A 102 -19.580 -0.070 10.791 1.00 0.00 O ATOM 0 H GLY A 102 -20.989 -1.714 12.638 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -19.355 -3.281 10.760 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -20.939 -2.588 10.474 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.517 -1.406 9.335 1.00 0.00 N ATOM 1599 CA CYS A 103 -17.809 -0.330 8.671 1.00 0.00 C ATOM 1600 C CYS A 103 -17.711 -0.605 7.172 1.00 0.00 C ATOM 1601 O CYS A 103 -17.022 -1.533 6.742 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.409 -0.167 9.266 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.391 0.154 11.047 1.00 0.00 S ATOM 0 H CYS A 103 -18.324 -2.331 8.952 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.365 0.595 8.823 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -15.834 -1.071 9.066 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -15.903 0.652 8.756 1.00 0.00 H new ATOM 0 HG CYS A 103 -15.166 0.121 11.481 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.409 0.191 6.385 1.00 0.00 N ATOM 1610 CA VAL A 104 -18.395 0.035 4.936 1.00 0.00 C ATOM 1611 C VAL A 104 -17.863 1.305 4.265 1.00 0.00 C ATOM 1612 O VAL A 104 -17.984 2.399 4.824 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.805 -0.298 4.378 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -20.304 -1.624 4.928 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.789 0.814 4.697 1.00 0.00 C ATOM 0 H VAL A 104 -18.995 0.955 6.722 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.734 -0.801 4.708 1.00 0.00 H new ATOM 0 HB VAL A 104 -19.726 -0.384 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -21.294 -1.836 4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -19.616 -2.419 4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -20.361 -1.569 6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.770 0.558 4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.860 0.938 5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.445 1.745 4.247 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.278 1.178 3.052 1.00 0.00 N ATOM 1626 CA PRO A 105 -16.710 2.321 2.301 1.00 0.00 C ATOM 1627 C PRO A 105 -17.793 3.207 1.659 1.00 0.00 C ATOM 1628 O PRO A 105 -17.667 3.610 0.504 1.00 0.00 O ATOM 1629 CB PRO A 105 -15.878 1.632 1.216 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.570 0.338 0.979 1.00 0.00 C ATOM 1631 CD PRO A 105 -17.102 -0.098 2.319 1.00 0.00 C ATOM 0 HA PRO A 105 -16.144 2.994 2.945 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -15.837 2.232 0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -14.850 1.478 1.543 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.378 0.454 0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -15.883 -0.403 0.572 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -18.044 -0.638 2.221 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -16.406 -0.762 2.831 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.823 3.525 2.449 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.965 4.344 2.026 1.00 0.00 C ATOM 1641 C TYR A 106 -20.711 3.741 0.826 1.00 0.00 C ATOM 1642 O TYR A 106 -20.204 3.693 -0.290 1.00 0.00 O ATOM 1643 CB TYR A 106 -19.540 5.788 1.729 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.703 6.711 1.431 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.387 7.339 2.460 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -21.119 6.947 0.125 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -22.456 8.172 2.204 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -22.186 7.782 -0.142 1.00 0.00 C ATOM 1649 CZ TYR A 106 -22.853 8.392 0.900 1.00 0.00 C ATOM 1650 OH TYR A 106 -23.924 9.215 0.640 1.00 0.00 O ATOM 0 H TYR A 106 -18.888 3.215 3.419 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.661 4.355 2.865 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.986 6.178 2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.858 5.790 0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.077 7.173 3.481 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.600 6.470 -0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -22.980 8.650 3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -22.497 7.957 -1.162 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.072 9.264 -0.328 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.926 3.294 1.069 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.742 2.725 0.022 1.00 0.00 C ATOM 1662 C LYS A 107 -24.062 3.471 -0.066 1.00 0.00 C ATOM 1663 O LYS A 107 -24.741 3.661 0.945 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.981 1.237 0.286 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.715 0.400 0.213 1.00 0.00 C ATOM 1666 CD LYS A 107 -21.990 -1.061 0.506 1.00 0.00 C ATOM 1667 CE LYS A 107 -20.715 -1.880 0.430 1.00 0.00 C ATOM 1668 NZ LYS A 107 -20.954 -3.310 0.729 1.00 0.00 N ATOM 0 H LYS A 107 -22.370 3.315 1.987 1.00 0.00 H new ATOM 0 HA LYS A 107 -22.220 2.824 -0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -23.430 1.118 1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.701 0.858 -0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -21.273 0.495 -0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.984 0.783 0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -22.431 -1.160 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -22.718 -1.448 -0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -20.283 -1.786 -0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -19.985 -1.480 1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -20.057 -3.832 0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -21.342 -3.404 1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -21.631 -3.700 0.042 1.00 0.00 H new ATOM 1682 N HIS A 108 -24.428 3.886 -1.272 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.652 4.646 -1.483 1.00 0.00 C ATOM 1684 C HIS A 108 -26.885 3.811 -1.157 1.00 0.00 C ATOM 1685 O HIS A 108 -27.888 4.334 -0.666 1.00 0.00 O ATOM 1686 CB HIS A 108 -25.725 5.204 -2.923 1.00 0.00 C ATOM 1687 CG HIS A 108 -25.810 4.164 -4.011 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -24.704 3.650 -4.654 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -26.884 3.554 -4.576 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -25.095 2.773 -5.564 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -26.408 2.699 -5.532 1.00 0.00 N ATOM 0 H HIS A 108 -23.892 3.708 -2.121 1.00 0.00 H new ATOM 0 HA HIS A 108 -25.633 5.494 -0.798 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -26.594 5.858 -2.999 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -24.845 5.822 -3.101 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -27.921 3.714 -4.319 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -24.446 2.213 -6.221 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -26.981 2.099 -6.126 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.804 2.508 -1.421 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.910 1.612 -1.132 1.00 0.00 C ATOM 1701 C GLU A 109 -28.135 1.518 0.367 1.00 0.00 C ATOM 1702 O GLU A 109 -29.273 1.509 0.835 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.673 0.224 -1.730 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.822 -0.743 -1.485 1.00 0.00 C ATOM 1705 CD GLU A 109 -28.612 -2.082 -2.142 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -27.910 -2.937 -1.563 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -29.153 -2.288 -3.248 1.00 0.00 O ATOM 0 H GLU A 109 -25.987 2.056 -1.832 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.807 2.023 -1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.512 0.322 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.759 -0.194 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.947 -0.886 -0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.747 -0.302 -1.858 1.00 0.00 H new ATOM 1714 N LEU A 110 -27.039 1.493 1.121 1.00 0.00 N ATOM 1715 CA LEU A 110 -27.118 1.431 2.571 1.00 0.00 C ATOM 1716 C LEU A 110 -27.827 2.663 3.102 1.00 0.00 C ATOM 1717 O LEU A 110 -28.676 2.567 3.976 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.719 1.329 3.187 1.00 0.00 C ATOM 1719 CG LEU A 110 -25.668 1.330 4.719 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -26.306 0.068 5.286 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -24.240 1.468 5.202 1.00 0.00 C ATOM 0 H LEU A 110 -26.089 1.515 0.749 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.683 0.541 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -25.249 0.414 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -25.119 2.162 2.821 1.00 0.00 H new ATOM 0 HG LEU A 110 -26.239 2.187 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -26.257 0.093 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -27.348 0.014 4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -25.770 -0.807 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -24.223 1.467 6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -23.647 0.633 4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.820 2.404 4.834 1.00 0.00 H new ATOM 1733 N ILE A 111 -27.498 3.815 2.533 1.00 0.00 N ATOM 1734 CA ILE A 111 -28.115 5.069 2.930 1.00 0.00 C ATOM 1735 C ILE A 111 -29.615 5.024 2.647 1.00 0.00 C ATOM 1736 O ILE A 111 -30.428 5.458 3.471 1.00 0.00 O ATOM 1737 CB ILE A 111 -27.484 6.273 2.178 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.957 6.284 2.359 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -28.093 7.590 2.656 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -25.501 6.394 3.802 1.00 0.00 C ATOM 0 H ILE A 111 -26.803 3.905 1.791 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.943 5.202 3.998 1.00 0.00 H new ATOM 0 HB ILE A 111 -27.703 6.164 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -25.545 5.371 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -25.542 7.119 1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -27.636 8.419 2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -29.167 7.583 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -27.911 7.709 3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -24.412 6.395 3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.880 7.320 4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.883 5.546 4.370 1.00 0.00 H new ATOM 1752 N SER A 112 -29.978 4.498 1.482 1.00 0.00 N ATOM 1753 CA SER A 112 -31.376 4.374 1.106 1.00 0.00 C ATOM 1754 C SER A 112 -32.119 3.465 2.091 1.00 0.00 C ATOM 1755 O SER A 112 -33.203 3.799 2.557 1.00 0.00 O ATOM 1756 CB SER A 112 -31.491 3.816 -0.312 1.00 0.00 C ATOM 1757 OG SER A 112 -30.743 4.601 -1.233 1.00 0.00 O ATOM 0 H SER A 112 -29.321 4.151 0.783 1.00 0.00 H new ATOM 0 HA SER A 112 -31.832 5.364 1.136 1.00 0.00 H new ATOM 0 HB2 SER A 112 -31.133 2.787 -0.331 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.538 3.795 -0.614 1.00 0.00 H new ATOM 0 HG SER A 112 -29.785 4.461 -1.080 1.00 0.00 H new ATOM 1763 N GLU A 113 -31.507 2.339 2.429 1.00 0.00 N ATOM 1764 CA GLU A 113 -32.105 1.391 3.362 1.00 0.00 C ATOM 1765 C GLU A 113 -32.234 2.008 4.753 1.00 0.00 C ATOM 1766 O GLU A 113 -33.265 1.862 5.417 1.00 0.00 O ATOM 1767 CB GLU A 113 -31.261 0.115 3.422 1.00 0.00 C ATOM 1768 CG GLU A 113 -31.250 -0.674 2.118 1.00 0.00 C ATOM 1769 CD GLU A 113 -32.581 -1.328 1.822 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -32.793 -2.483 2.268 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -33.435 -0.696 1.173 1.00 0.00 O ATOM 0 H GLU A 113 -30.594 2.058 2.071 1.00 0.00 H new ATOM 0 HA GLU A 113 -33.105 1.139 3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -30.237 0.379 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -31.640 -0.524 4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -30.986 -0.008 1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -30.476 -1.440 2.168 1.00 0.00 H new ATOM 1778 N LEU A 114 -31.191 2.713 5.180 1.00 0.00 N ATOM 1779 CA LEU A 114 -31.170 3.354 6.482 1.00 0.00 C ATOM 1780 C LEU A 114 -32.243 4.433 6.603 1.00 0.00 C ATOM 1781 O LEU A 114 -32.922 4.528 7.623 1.00 0.00 O ATOM 1782 CB LEU A 114 -29.802 3.957 6.751 1.00 0.00 C ATOM 1783 CG LEU A 114 -28.666 2.955 6.945 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -27.349 3.680 7.050 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -28.898 2.098 8.182 1.00 0.00 C ATOM 0 H LEU A 114 -30.342 2.853 4.633 1.00 0.00 H new ATOM 0 HA LEU A 114 -31.383 2.586 7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -29.545 4.614 5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -29.869 4.581 7.642 1.00 0.00 H new ATOM 0 HG LEU A 114 -28.640 2.295 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -26.545 2.957 7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -27.173 4.248 6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -27.375 4.360 7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -28.074 1.393 8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -28.953 2.738 9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -29.833 1.548 8.074 1.00 0.00 H new ATOM 1797 N SER A 115 -32.394 5.245 5.561 1.00 0.00 N ATOM 1798 CA SER A 115 -33.375 6.314 5.578 1.00 0.00 C ATOM 1799 C SER A 115 -34.808 5.772 5.524 1.00 0.00 C ATOM 1800 O SER A 115 -35.710 6.306 6.180 1.00 0.00 O ATOM 1801 CB SER A 115 -33.103 7.312 4.448 1.00 0.00 C ATOM 1802 OG SER A 115 -32.912 6.651 3.205 1.00 0.00 O ATOM 0 H SER A 115 -31.850 5.180 4.700 1.00 0.00 H new ATOM 0 HA SER A 115 -33.277 6.844 6.525 1.00 0.00 H new ATOM 0 HB2 SER A 115 -33.938 8.008 4.367 1.00 0.00 H new ATOM 0 HB3 SER A 115 -32.218 7.902 4.687 1.00 0.00 H new ATOM 0 HG SER A 115 -32.002 6.290 3.163 1.00 0.00 H new