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 25 GLN : amide:sc= 0 K(o=-1.2,f=-1.9) USER MOD Set 1.2: A 96 TYR OH : rot 30:sc= -1.19 USER MOD Set 2.1: A 76 LYS NZ :NH3+ -166:sc= 0.982 (180deg=0) USER MOD Set 2.2: A 78 THR OG1 : rot 120:sc= 0.859 USER MOD Single : A 11 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1) USER MOD Single : A 18 TYR OH : rot 180:sc= -1.37 USER MOD Single : A 23 THR OG1 : rot -167:sc= -0.623! USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= 0.506 (180deg=0.401) USER MOD Single : A 29 TYR OH : rot -30:sc= 1.05 USER MOD Single : A 32 GLN : amide:sc=-0.00958 K(o=-0.0096,f=-0.53) USER MOD Single : A 67 SER OG : rot 32:sc= 0.0506 USER MOD Single : A 70 HIS : no HD1:sc= -0.178 K(o=-0.18,f=-2) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.221 USER MOD Single : A 81 ASN : amide:sc= -0.0637 K(o=-0.064,f=-2.9!) USER MOD Single : A 82 HIS : no HD1:sc= -0.0216 X(o=-0.022,f=-0.29) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00322 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0754 USER MOD Single : A 92 HIS : no HD1:sc= -2.13! K(o=-2.1!,f=0.68) USER MOD Single : A 94 THR OG1 : rot 87:sc= -0.502 USER MOD Single : A 97 CYS SG : rot 75:sc= 0.992 USER MOD Single : A 103 CYS SG : rot 170:sc= -0.121 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=-0.0018) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -81:sc= 0.916 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -12.156 7.347 1.395 1.00 0.00 N ATOM 131 CA ASN A 11 -11.579 7.789 2.665 1.00 0.00 C ATOM 132 C ASN A 11 -12.660 8.080 3.704 1.00 0.00 C ATOM 133 O ASN A 11 -12.429 8.803 4.686 1.00 0.00 O ATOM 134 CB ASN A 11 -10.673 9.006 2.443 1.00 0.00 C ATOM 135 CG ASN A 11 -9.410 8.649 1.669 1.00 0.00 C ATOM 136 OD1 ASN A 11 -8.900 7.534 1.767 1.00 0.00 O ATOM 137 ND2 ASN A 11 -8.901 9.588 0.897 1.00 0.00 N ATOM 0 HA ASN A 11 -10.970 6.976 3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.225 9.774 1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.398 9.433 3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.057 9.401 0.356 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.351 10.501 0.841 1.00 0.00 H new ATOM 144 N ALA A 12 -13.834 7.504 3.489 1.00 0.00 N ATOM 145 CA ALA A 12 -14.950 7.663 4.403 1.00 0.00 C ATOM 146 C ALA A 12 -15.673 6.342 4.572 1.00 0.00 C ATOM 147 O ALA A 12 -15.858 5.608 3.603 1.00 0.00 O ATOM 148 CB ALA A 12 -15.914 8.726 3.891 1.00 0.00 C ATOM 0 H ALA A 12 -14.037 6.917 2.680 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.564 7.984 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.744 8.831 4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.392 9.679 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.297 8.430 2.914 1.00 0.00 H new ATOM 154 N VAL A 13 -16.086 6.049 5.789 1.00 0.00 N ATOM 155 CA VAL A 13 -16.783 4.805 6.082 1.00 0.00 C ATOM 156 C VAL A 13 -18.133 5.070 6.717 1.00 0.00 C ATOM 157 O VAL A 13 -18.381 6.156 7.252 1.00 0.00 O ATOM 158 CB VAL A 13 -15.968 3.886 7.034 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.734 3.340 6.349 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.577 4.631 8.306 1.00 0.00 C ATOM 0 H VAL A 13 -15.952 6.657 6.597 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.912 4.300 5.125 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.608 3.046 7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.186 2.701 7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.030 2.759 5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.096 4.166 6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.008 3.967 8.956 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.967 5.497 8.048 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.477 4.963 8.825 1.00 0.00 H new ATOM 170 N VAL A 14 -19.001 4.084 6.643 1.00 0.00 N ATOM 171 CA VAL A 14 -20.299 4.164 7.261 1.00 0.00 C ATOM 172 C VAL A 14 -20.305 3.248 8.467 1.00 0.00 C ATOM 173 O VAL A 14 -20.149 2.030 8.335 1.00 0.00 O ATOM 174 CB VAL A 14 -21.424 3.737 6.287 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.788 3.892 6.938 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.352 4.534 4.991 1.00 0.00 C ATOM 0 H VAL A 14 -18.823 3.207 6.153 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.488 5.198 7.550 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.279 2.684 6.045 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.563 3.586 6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.839 3.267 7.829 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.942 4.934 7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.153 4.216 4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.463 5.596 5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.389 4.361 4.511 1.00 0.00 H new ATOM 186 N VAL A 15 -20.463 3.825 9.633 1.00 0.00 N ATOM 187 CA VAL A 15 -20.453 3.052 10.853 1.00 0.00 C ATOM 188 C VAL A 15 -21.853 2.952 11.416 1.00 0.00 C ATOM 189 O VAL A 15 -22.524 3.959 11.606 1.00 0.00 O ATOM 190 CB VAL A 15 -19.514 3.680 11.911 1.00 0.00 C ATOM 191 CG1 VAL A 15 -19.507 2.860 13.196 1.00 0.00 C ATOM 192 CG2 VAL A 15 -18.102 3.819 11.360 1.00 0.00 C ATOM 0 H VAL A 15 -20.600 4.827 9.764 1.00 0.00 H new ATOM 0 HA VAL A 15 -20.082 2.056 10.613 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.894 4.674 12.147 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.839 3.325 13.921 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -20.516 2.819 13.607 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -19.161 1.849 12.981 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.457 4.262 12.119 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.719 2.835 11.088 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -18.117 4.459 10.478 1.00 0.00 H new ATOM 202 N PHE A 16 -22.287 1.737 11.667 1.00 0.00 N ATOM 203 CA PHE A 16 -23.608 1.493 12.202 1.00 0.00 C ATOM 204 C PHE A 16 -23.574 0.397 13.258 1.00 0.00 C ATOM 205 O PHE A 16 -22.642 -0.410 13.302 1.00 0.00 O ATOM 206 CB PHE A 16 -24.606 1.140 11.077 1.00 0.00 C ATOM 207 CG PHE A 16 -24.240 -0.080 10.265 1.00 0.00 C ATOM 208 CD1 PHE A 16 -24.622 -1.349 10.675 1.00 0.00 C ATOM 209 CD2 PHE A 16 -23.518 0.046 9.087 1.00 0.00 C ATOM 210 CE1 PHE A 16 -24.291 -2.465 9.929 1.00 0.00 C ATOM 211 CE2 PHE A 16 -23.188 -1.064 8.336 1.00 0.00 C ATOM 212 CZ PHE A 16 -23.574 -2.320 8.758 1.00 0.00 C ATOM 0 H PHE A 16 -21.737 0.893 11.507 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.950 2.412 12.679 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.590 0.983 11.519 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.691 1.994 10.405 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -25.185 -1.467 11.589 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.210 1.026 8.753 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.592 -3.447 10.261 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -22.628 -0.950 7.419 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.315 -3.190 8.172 1.00 0.00 H new ATOM 222 N GLY A 17 -24.588 0.377 14.104 1.00 0.00 N ATOM 223 CA GLY A 17 -24.657 -0.626 15.145 1.00 0.00 C ATOM 224 C GLY A 17 -24.155 -0.116 16.479 1.00 0.00 C ATOM 225 O GLY A 17 -23.559 -0.861 17.248 1.00 0.00 O ATOM 0 H GLY A 17 -25.366 1.037 14.090 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.688 -0.962 15.253 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -24.069 -1.494 14.847 1.00 0.00 H new ATOM 229 N TYR A 18 -24.395 1.153 16.752 1.00 0.00 N ATOM 230 CA TYR A 18 -23.986 1.758 18.012 1.00 0.00 C ATOM 231 C TYR A 18 -25.145 2.552 18.609 1.00 0.00 C ATOM 232 O TYR A 18 -26.108 2.871 17.914 1.00 0.00 O ATOM 233 CB TYR A 18 -22.765 2.670 17.812 1.00 0.00 C ATOM 234 CG TYR A 18 -23.010 3.841 16.887 1.00 0.00 C ATOM 235 CD1 TYR A 18 -22.818 3.732 15.516 1.00 0.00 C ATOM 236 CD2 TYR A 18 -23.436 5.058 17.390 1.00 0.00 C ATOM 237 CE1 TYR A 18 -23.046 4.808 14.679 1.00 0.00 C ATOM 238 CE2 TYR A 18 -23.668 6.130 16.563 1.00 0.00 C ATOM 239 CZ TYR A 18 -23.473 6.004 15.214 1.00 0.00 C ATOM 240 OH TYR A 18 -23.707 7.079 14.394 1.00 0.00 O ATOM 0 H TYR A 18 -24.874 1.790 16.116 1.00 0.00 H new ATOM 0 HA TYR A 18 -23.706 0.962 18.701 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -22.446 3.049 18.783 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -21.942 2.075 17.416 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -22.486 2.793 15.098 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -23.589 5.167 18.454 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -22.891 4.712 13.615 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -24.003 7.070 16.976 1.00 0.00 H new ATOM 0 HH TYR A 18 -24.003 7.843 14.932 1.00 0.00 H new ATOM 250 N ARG A 19 -25.049 2.860 19.892 1.00 0.00 N ATOM 251 CA ARG A 19 -26.085 3.604 20.587 1.00 0.00 C ATOM 252 C ARG A 19 -25.474 4.815 21.306 1.00 0.00 C ATOM 253 O ARG A 19 -24.302 4.792 21.669 1.00 0.00 O ATOM 254 CB ARG A 19 -26.823 2.677 21.572 1.00 0.00 C ATOM 255 CG ARG A 19 -27.984 3.332 22.298 1.00 0.00 C ATOM 256 CD ARG A 19 -28.784 2.319 23.107 1.00 0.00 C ATOM 257 NE ARG A 19 -27.993 1.682 24.165 1.00 0.00 N ATOM 258 CZ ARG A 19 -28.441 0.669 24.918 1.00 0.00 C ATOM 259 NH1 ARG A 19 -29.665 0.197 24.731 1.00 0.00 N ATOM 260 NH2 ARG A 19 -27.666 0.125 25.850 1.00 0.00 N ATOM 0 H ARG A 19 -24.255 2.603 20.478 1.00 0.00 H new ATOM 0 HA ARG A 19 -26.811 3.977 19.865 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -27.194 1.809 21.027 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -26.110 2.309 22.310 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -27.606 4.111 22.961 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -28.638 3.819 21.574 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -29.645 2.816 23.553 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -29.171 1.551 22.437 1.00 0.00 H new ATOM 0 HE ARG A 19 -27.050 2.030 24.337 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -30.265 0.605 24.014 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -30.007 -0.574 25.304 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -26.721 0.478 25.997 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -28.016 -0.646 26.418 1.00 0.00 H new ATOM 274 N GLU A 20 -26.276 5.860 21.520 1.00 0.00 N ATOM 275 CA GLU A 20 -25.802 7.109 22.145 1.00 0.00 C ATOM 276 C GLU A 20 -25.448 6.930 23.629 1.00 0.00 C ATOM 277 O GLU A 20 -25.132 7.902 24.325 1.00 0.00 O ATOM 278 CB GLU A 20 -26.848 8.229 22.005 1.00 0.00 C ATOM 279 CG GLU A 20 -27.273 8.537 20.574 1.00 0.00 C ATOM 280 CD GLU A 20 -28.463 7.710 20.105 1.00 0.00 C ATOM 281 OE1 GLU A 20 -28.614 6.553 20.550 1.00 0.00 O ATOM 282 OE2 GLU A 20 -29.264 8.225 19.294 1.00 0.00 O ATOM 0 H GLU A 20 -27.265 5.871 21.270 1.00 0.00 H new ATOM 0 HA GLU A 20 -24.893 7.387 21.612 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -27.732 7.954 22.580 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -26.447 9.138 22.453 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -27.522 9.595 20.497 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -26.430 8.359 19.906 1.00 0.00 H new ATOM 289 N ALA A 21 -25.515 5.711 24.111 1.00 0.00 N ATOM 290 CA ALA A 21 -25.197 5.425 25.494 1.00 0.00 C ATOM 291 C ALA A 21 -23.766 4.899 25.636 1.00 0.00 C ATOM 292 O ALA A 21 -23.318 4.583 26.743 1.00 0.00 O ATOM 293 CB ALA A 21 -26.197 4.433 26.066 1.00 0.00 C ATOM 0 H ALA A 21 -25.789 4.895 23.563 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.263 6.354 26.060 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -25.948 4.225 27.107 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.201 4.855 26.010 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.160 3.507 25.492 1.00 0.00 H new ATOM 299 N ILE A 22 -23.049 4.800 24.517 1.00 0.00 N ATOM 300 CA ILE A 22 -21.677 4.278 24.538 1.00 0.00 C ATOM 301 C ILE A 22 -20.674 5.305 24.012 1.00 0.00 C ATOM 302 O ILE A 22 -19.501 4.982 23.825 1.00 0.00 O ATOM 303 CB ILE A 22 -21.522 3.013 23.660 1.00 0.00 C ATOM 304 CG1 ILE A 22 -21.725 3.365 22.179 1.00 0.00 C ATOM 305 CG2 ILE A 22 -22.506 1.930 24.089 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.153 2.348 21.231 1.00 0.00 C ATOM 0 H ILE A 22 -23.387 5.070 23.593 1.00 0.00 H new ATOM 0 HA ILE A 22 -21.476 4.041 25.583 1.00 0.00 H new ATOM 0 HB ILE A 22 -20.512 2.626 23.793 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -22.792 3.471 21.983 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -21.266 4.333 21.979 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -22.378 1.051 23.457 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -22.320 1.660 25.128 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -23.525 2.304 23.988 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.335 2.665 20.204 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -20.080 2.258 21.398 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -21.629 1.383 21.402 1.00 0.00 H new ATOM 318 N THR A 23 -21.124 6.534 23.799 1.00 0.00 N ATOM 319 CA THR A 23 -20.289 7.550 23.157 1.00 0.00 C ATOM 320 C THR A 23 -18.998 7.809 23.900 1.00 0.00 C ATOM 321 O THR A 23 -17.942 7.833 23.296 1.00 0.00 O ATOM 322 CB THR A 23 -21.030 8.876 23.024 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.300 8.654 22.416 1.00 0.00 O ATOM 324 CG2 THR A 23 -20.213 9.874 22.199 1.00 0.00 C ATOM 0 H THR A 23 -22.057 6.854 24.058 1.00 0.00 H new ATOM 0 HA THR A 23 -20.052 7.145 22.173 1.00 0.00 H new ATOM 0 HB THR A 23 -21.176 9.299 24.018 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.688 9.512 22.145 1.00 0.00 H new ATOM 0 HG21 THR A 23 -20.761 10.813 22.117 1.00 0.00 H new ATOM 0 HG22 THR A 23 -19.256 10.054 22.689 1.00 0.00 H new ATOM 0 HG23 THR A 23 -20.040 9.467 21.203 1.00 0.00 H new ATOM 332 N LYS A 24 -19.076 7.973 25.199 1.00 0.00 N ATOM 333 CA LYS A 24 -17.903 8.300 25.983 1.00 0.00 C ATOM 334 C LYS A 24 -16.866 7.178 25.856 1.00 0.00 C ATOM 335 O LYS A 24 -15.664 7.426 25.778 1.00 0.00 O ATOM 336 CB LYS A 24 -18.276 8.478 27.461 1.00 0.00 C ATOM 337 CG LYS A 24 -19.657 9.084 27.711 1.00 0.00 C ATOM 338 CD LYS A 24 -19.881 10.413 27.003 1.00 0.00 C ATOM 339 CE LYS A 24 -21.278 10.936 27.326 1.00 0.00 C ATOM 340 NZ LYS A 24 -21.583 12.216 26.650 1.00 0.00 N ATOM 0 H LYS A 24 -19.938 7.886 25.738 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.485 9.234 25.607 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -18.228 7.506 27.952 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -17.527 9.112 27.935 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -20.419 8.376 27.385 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.793 9.227 28.783 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -19.129 11.136 27.319 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.769 10.286 25.926 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -22.017 10.190 27.032 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -21.371 11.069 28.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -22.608 12.388 26.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -21.089 12.992 27.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -21.266 12.170 25.660 1.00 0.00 H new ATOM 354 N GLN A 25 -17.358 5.948 25.816 1.00 0.00 N ATOM 355 CA GLN A 25 -16.524 4.783 25.769 1.00 0.00 C ATOM 356 C GLN A 25 -15.966 4.510 24.352 1.00 0.00 C ATOM 357 O GLN A 25 -14.752 4.477 24.155 1.00 0.00 O ATOM 358 CB GLN A 25 -17.332 3.587 26.238 1.00 0.00 C ATOM 359 CG GLN A 25 -16.490 2.409 26.619 1.00 0.00 C ATOM 360 CD GLN A 25 -17.313 1.221 27.054 1.00 0.00 C ATOM 361 OE1 GLN A 25 -18.424 1.374 27.554 1.00 0.00 O ATOM 362 NE2 GLN A 25 -16.772 0.031 26.874 1.00 0.00 N ATOM 0 H GLN A 25 -18.357 5.742 25.816 1.00 0.00 H new ATOM 0 HA GLN A 25 -15.668 4.956 26.421 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.939 3.882 27.094 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.020 3.291 25.446 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -15.867 2.123 25.771 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -15.817 2.695 27.427 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.846 -0.050 26.454 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.280 -0.808 27.154 1.00 0.00 H new ATOM 371 N ILE A 26 -16.863 4.317 23.373 1.00 0.00 N ATOM 372 CA ILE A 26 -16.459 3.946 22.022 1.00 0.00 C ATOM 373 C ILE A 26 -15.678 5.064 21.327 1.00 0.00 C ATOM 374 O ILE A 26 -14.733 4.798 20.577 1.00 0.00 O ATOM 375 CB ILE A 26 -17.676 3.515 21.145 1.00 0.00 C ATOM 376 CG1 ILE A 26 -17.189 2.762 19.913 1.00 0.00 C ATOM 377 CG2 ILE A 26 -18.526 4.717 20.735 1.00 0.00 C ATOM 378 CD1 ILE A 26 -18.295 2.103 19.109 1.00 0.00 C ATOM 0 H ILE A 26 -17.871 4.413 23.499 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.797 3.087 22.130 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.306 2.856 21.742 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.649 3.455 19.267 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.478 1.998 20.226 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -19.364 4.379 20.125 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.904 5.216 21.627 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.917 5.414 20.160 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.864 1.589 18.250 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.821 1.383 19.736 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.995 2.863 18.763 1.00 0.00 H new ATOM 390 N LEU A 27 -16.065 6.311 21.587 1.00 0.00 N ATOM 391 CA LEU A 27 -15.419 7.448 20.964 1.00 0.00 C ATOM 392 C LEU A 27 -13.971 7.532 21.381 1.00 0.00 C ATOM 393 O LEU A 27 -13.139 7.866 20.585 1.00 0.00 O ATOM 394 CB LEU A 27 -16.167 8.758 21.259 1.00 0.00 C ATOM 395 CG LEU A 27 -15.654 10.023 20.547 1.00 0.00 C ATOM 396 CD1 LEU A 27 -16.797 10.997 20.332 1.00 0.00 C ATOM 397 CD2 LEU A 27 -14.543 10.698 21.356 1.00 0.00 C ATOM 0 H LEU A 27 -16.823 6.552 22.225 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.451 7.300 19.885 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -17.215 8.619 20.993 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.132 8.935 22.334 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.244 9.726 19.582 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.425 11.889 19.828 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -17.565 10.527 19.718 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.223 11.276 21.296 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.199 11.589 20.830 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.927 10.981 22.336 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.710 10.005 21.479 1.00 0.00 H new ATOM 409 N ALA A 28 -13.683 7.206 22.639 1.00 0.00 N ATOM 410 CA ALA A 28 -12.318 7.268 23.154 1.00 0.00 C ATOM 411 C ALA A 28 -11.350 6.458 22.281 1.00 0.00 C ATOM 412 O ALA A 28 -10.252 6.925 21.969 1.00 0.00 O ATOM 413 CB ALA A 28 -12.274 6.771 24.595 1.00 0.00 C ATOM 0 H ALA A 28 -14.376 6.896 23.320 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.998 8.310 23.127 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.251 6.823 24.967 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.917 7.396 25.215 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.623 5.739 24.635 1.00 0.00 H new ATOM 419 N TYR A 29 -11.754 5.250 21.896 1.00 0.00 N ATOM 420 CA TYR A 29 -10.916 4.406 21.041 1.00 0.00 C ATOM 421 C TYR A 29 -10.695 5.021 19.653 1.00 0.00 C ATOM 422 O TYR A 29 -9.564 5.141 19.188 1.00 0.00 O ATOM 423 CB TYR A 29 -11.516 2.998 20.881 1.00 0.00 C ATOM 424 CG TYR A 29 -10.761 2.158 19.865 1.00 0.00 C ATOM 425 CD1 TYR A 29 -9.622 1.450 20.221 1.00 0.00 C ATOM 426 CD2 TYR A 29 -11.175 2.105 18.540 1.00 0.00 C ATOM 427 CE1 TYR A 29 -8.918 0.717 19.281 1.00 0.00 C ATOM 428 CE2 TYR A 29 -10.486 1.370 17.601 1.00 0.00 C ATOM 429 CZ TYR A 29 -9.360 0.682 17.972 1.00 0.00 C ATOM 430 OH TYR A 29 -8.661 -0.035 17.032 1.00 0.00 O ATOM 0 H TYR A 29 -12.648 4.834 22.158 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.951 4.333 21.542 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.507 2.491 21.846 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.559 3.083 20.575 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.280 1.471 21.245 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.056 2.652 18.240 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.029 0.176 19.569 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.831 1.336 16.578 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.711 -0.048 17.271 1.00 0.00 H new ATOM 440 N PHE A 30 -11.780 5.422 19.012 1.00 0.00 N ATOM 441 CA PHE A 30 -11.718 5.938 17.646 1.00 0.00 C ATOM 442 C PHE A 30 -11.303 7.390 17.612 1.00 0.00 C ATOM 443 O PHE A 30 -11.053 7.947 16.542 1.00 0.00 O ATOM 444 CB PHE A 30 -13.056 5.754 16.931 1.00 0.00 C ATOM 445 CG PHE A 30 -13.384 4.318 16.609 1.00 0.00 C ATOM 446 CD1 PHE A 30 -12.900 3.726 15.451 1.00 0.00 C ATOM 447 CD2 PHE A 30 -14.178 3.564 17.460 1.00 0.00 C ATOM 448 CE1 PHE A 30 -13.200 2.406 15.146 1.00 0.00 C ATOM 449 CE2 PHE A 30 -14.481 2.246 17.160 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.992 1.667 16.004 1.00 0.00 C ATOM 0 H PHE A 30 -12.718 5.402 19.412 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.957 5.361 17.120 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.849 6.167 17.554 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.045 6.330 16.006 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.281 4.301 14.778 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.564 4.009 18.365 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.816 1.958 14.241 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -15.101 1.670 17.831 1.00 0.00 H new ATOM 0 HZ PHE A 30 -14.228 0.639 15.772 1.00 0.00 H new ATOM 460 N ALA A 31 -11.221 7.995 18.788 1.00 0.00 N ATOM 461 CA ALA A 31 -10.858 9.392 18.928 1.00 0.00 C ATOM 462 C ALA A 31 -9.498 9.662 18.327 1.00 0.00 C ATOM 463 O ALA A 31 -9.192 10.783 17.963 1.00 0.00 O ATOM 464 CB ALA A 31 -10.881 9.814 20.384 1.00 0.00 C ATOM 0 H ALA A 31 -11.406 7.526 19.675 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.597 9.982 18.385 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.605 10.866 20.462 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.883 9.670 20.789 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.171 9.210 20.949 1.00 0.00 H new ATOM 470 N GLN A 32 -8.685 8.614 18.236 1.00 0.00 N ATOM 471 CA GLN A 32 -7.370 8.700 17.627 1.00 0.00 C ATOM 472 C GLN A 32 -7.498 9.169 16.183 1.00 0.00 C ATOM 473 O GLN A 32 -6.611 9.827 15.640 1.00 0.00 O ATOM 474 CB GLN A 32 -6.690 7.321 17.662 1.00 0.00 C ATOM 475 CG GLN A 32 -5.320 7.290 17.000 1.00 0.00 C ATOM 476 CD GLN A 32 -4.321 8.184 17.697 1.00 0.00 C ATOM 477 OE1 GLN A 32 -4.357 8.343 18.916 1.00 0.00 O ATOM 478 NE2 GLN A 32 -3.434 8.782 16.933 1.00 0.00 N ATOM 0 H GLN A 32 -8.922 7.685 18.583 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.766 9.415 18.185 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.588 7.004 18.700 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.337 6.595 17.169 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.945 6.266 16.995 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.416 7.599 15.959 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.439 8.623 15.926 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.741 9.405 17.348 1.00 0.00 H new ATOM 487 N PHE A 33 -8.610 8.823 15.575 1.00 0.00 N ATOM 488 CA PHE A 33 -8.860 9.160 14.202 1.00 0.00 C ATOM 489 C PHE A 33 -9.833 10.343 14.106 1.00 0.00 C ATOM 490 O PHE A 33 -9.600 11.290 13.354 1.00 0.00 O ATOM 491 CB PHE A 33 -9.429 7.942 13.472 1.00 0.00 C ATOM 492 CG PHE A 33 -8.610 6.685 13.658 1.00 0.00 C ATOM 493 CD1 PHE A 33 -7.445 6.480 12.937 1.00 0.00 C ATOM 494 CD2 PHE A 33 -9.010 5.713 14.568 1.00 0.00 C ATOM 495 CE1 PHE A 33 -6.696 5.331 13.117 1.00 0.00 C ATOM 496 CE2 PHE A 33 -8.264 4.565 14.750 1.00 0.00 C ATOM 497 CZ PHE A 33 -7.105 4.375 14.023 1.00 0.00 C ATOM 0 H PHE A 33 -9.363 8.300 16.023 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.921 9.454 13.732 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.444 7.759 13.825 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.497 8.166 12.408 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.118 7.225 12.227 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -9.915 5.857 15.139 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.790 5.182 12.548 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.586 3.817 15.459 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.520 3.478 14.164 1.00 0.00 H new ATOM 507 N GLY A 34 -10.913 10.285 14.889 1.00 0.00 N ATOM 508 CA GLY A 34 -11.914 11.344 14.875 1.00 0.00 C ATOM 509 C GLY A 34 -13.005 11.116 15.913 1.00 0.00 C ATOM 510 O GLY A 34 -12.828 10.328 16.836 1.00 0.00 O ATOM 0 H GLY A 34 -11.112 9.521 15.534 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.430 12.302 15.063 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.364 11.404 13.884 1.00 0.00 H new ATOM 514 N GLU A 35 -14.127 11.809 15.763 1.00 0.00 N ATOM 515 CA GLU A 35 -15.251 11.670 16.690 1.00 0.00 C ATOM 516 C GLU A 35 -16.421 10.972 16.006 1.00 0.00 C ATOM 517 O GLU A 35 -16.525 10.987 14.777 1.00 0.00 O ATOM 518 CB GLU A 35 -15.661 13.027 17.247 1.00 0.00 C ATOM 519 CG GLU A 35 -14.603 13.642 18.148 1.00 0.00 C ATOM 520 CD GLU A 35 -14.993 14.998 18.686 1.00 0.00 C ATOM 521 OE1 GLU A 35 -16.158 15.388 18.529 1.00 0.00 O ATOM 522 OE2 GLU A 35 -14.117 15.672 19.276 1.00 0.00 O ATOM 0 H GLU A 35 -14.286 12.475 15.007 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.936 11.051 17.530 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.866 13.707 16.420 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -16.589 12.918 17.808 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.411 12.969 18.983 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.670 13.734 17.592 1.00 0.00 H new ATOM 529 N ILE A 36 -17.298 10.348 16.797 1.00 0.00 N ATOM 530 CA ILE A 36 -18.384 9.554 16.230 1.00 0.00 C ATOM 531 C ILE A 36 -19.770 10.142 16.531 1.00 0.00 C ATOM 532 O ILE A 36 -20.545 10.421 15.616 1.00 0.00 O ATOM 533 CB ILE A 36 -18.307 8.087 16.723 1.00 0.00 C ATOM 534 CG1 ILE A 36 -16.904 7.546 16.456 1.00 0.00 C ATOM 535 CG2 ILE A 36 -19.348 7.236 16.002 1.00 0.00 C ATOM 536 CD1 ILE A 36 -16.627 6.224 17.106 1.00 0.00 C ATOM 0 H ILE A 36 -17.277 10.378 17.816 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.253 9.578 15.148 1.00 0.00 H new ATOM 0 HB ILE A 36 -18.514 8.049 17.793 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.763 7.447 15.380 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.172 8.273 16.808 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.285 6.207 16.356 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -20.344 7.630 16.205 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -19.160 7.263 14.929 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.611 5.908 16.869 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.734 6.320 18.186 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.334 5.481 16.736 1.00 0.00 H new ATOM 548 N LEU A 37 -20.083 10.318 17.809 1.00 0.00 N ATOM 549 CA LEU A 37 -21.391 10.847 18.205 1.00 0.00 C ATOM 550 C LEU A 37 -21.278 12.290 18.691 1.00 0.00 C ATOM 551 O LEU A 37 -20.182 12.835 18.764 1.00 0.00 O ATOM 552 CB LEU A 37 -22.066 9.971 19.269 1.00 0.00 C ATOM 553 CG LEU A 37 -22.408 8.532 18.856 1.00 0.00 C ATOM 554 CD1 LEU A 37 -21.212 7.611 19.030 1.00 0.00 C ATOM 555 CD2 LEU A 37 -23.592 8.022 19.648 1.00 0.00 C ATOM 0 H LEU A 37 -19.458 10.105 18.586 1.00 0.00 H new ATOM 0 HA LEU A 37 -22.022 10.831 17.317 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.413 9.930 20.141 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.986 10.464 19.583 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.673 8.539 17.799 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -21.485 6.599 18.730 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -20.388 7.964 18.410 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.904 7.608 20.076 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -23.821 7.001 19.343 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -23.353 8.038 20.711 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -24.456 8.659 19.461 1.00 0.00 H new ATOM 567 N GLU A 38 -22.415 12.895 19.041 1.00 0.00 N ATOM 568 CA GLU A 38 -22.444 14.311 19.410 1.00 0.00 C ATOM 569 C GLU A 38 -22.288 14.569 20.916 1.00 0.00 C ATOM 570 O GLU A 38 -21.930 15.677 21.319 1.00 0.00 O ATOM 571 CB GLU A 38 -23.726 14.968 18.907 1.00 0.00 C ATOM 572 CG GLU A 38 -23.870 14.959 17.396 1.00 0.00 C ATOM 573 CD GLU A 38 -25.081 15.729 16.929 1.00 0.00 C ATOM 574 OE1 GLU A 38 -26.170 15.130 16.821 1.00 0.00 O ATOM 575 OE2 GLU A 38 -24.950 16.939 16.666 1.00 0.00 O ATOM 0 H GLU A 38 -23.322 12.430 19.077 1.00 0.00 H new ATOM 0 HA GLU A 38 -21.574 14.757 18.928 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -24.582 14.456 19.347 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -23.756 15.999 19.259 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -22.975 15.388 16.946 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -23.941 13.929 17.047 1.00 0.00 H new ATOM 582 N ASP A 39 -22.544 13.577 21.741 1.00 0.00 N ATOM 583 CA ASP A 39 -22.469 13.787 23.187 1.00 0.00 C ATOM 584 C ASP A 39 -21.059 13.528 23.715 1.00 0.00 C ATOM 585 O ASP A 39 -20.669 12.387 23.969 1.00 0.00 O ATOM 586 CB ASP A 39 -23.517 12.938 23.937 1.00 0.00 C ATOM 587 CG ASP A 39 -23.366 11.447 23.717 1.00 0.00 C ATOM 588 OD1 ASP A 39 -23.532 10.990 22.567 1.00 0.00 O ATOM 589 OD2 ASP A 39 -23.093 10.726 24.700 1.00 0.00 O ATOM 0 H ASP A 39 -22.801 12.633 21.453 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.703 14.835 23.377 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.445 13.148 25.004 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -24.514 13.244 23.619 1.00 0.00 H new ATOM 594 N LEU A 40 -20.305 14.592 23.907 1.00 0.00 N ATOM 595 CA LEU A 40 -18.946 14.480 24.323 1.00 0.00 C ATOM 596 C LEU A 40 -18.574 15.615 25.265 1.00 0.00 C ATOM 597 O LEU A 40 -18.625 16.792 24.903 1.00 0.00 O ATOM 598 CB LEU A 40 -18.024 14.463 23.106 1.00 0.00 C ATOM 599 CG LEU A 40 -16.567 14.144 23.395 1.00 0.00 C ATOM 600 CD1 LEU A 40 -16.447 12.819 24.140 1.00 0.00 C ATOM 601 CD2 LEU A 40 -15.797 14.080 22.099 1.00 0.00 C ATOM 0 H LEU A 40 -20.628 15.551 23.776 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.825 13.542 24.865 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.404 13.730 22.394 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -18.075 15.437 22.619 1.00 0.00 H new ATOM 0 HG LEU A 40 -16.152 14.931 24.024 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.396 12.607 24.338 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -16.989 12.882 25.084 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.870 12.020 23.531 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -14.752 13.851 22.308 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.219 13.302 21.463 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.863 15.041 21.589 1.00 0.00 H new ATOM 1035 N SER A 67 -20.177 17.433 11.864 1.00 0.00 N ATOM 1036 CA SER A 67 -20.472 18.132 10.628 1.00 0.00 C ATOM 1037 C SER A 67 -20.867 17.162 9.517 1.00 0.00 C ATOM 1038 O SER A 67 -21.356 17.565 8.458 1.00 0.00 O ATOM 1039 CB SER A 67 -19.278 18.977 10.210 1.00 0.00 C ATOM 1040 OG SER A 67 -18.996 19.975 11.183 1.00 0.00 O ATOM 0 HA SER A 67 -21.324 18.788 10.803 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.405 18.338 10.075 1.00 0.00 H new ATOM 0 HB3 SER A 67 -19.480 19.448 9.248 1.00 0.00 H new ATOM 0 HG SER A 67 -19.235 19.641 12.073 1.00 0.00 H new ATOM 1046 N ARG A 68 -20.625 15.895 9.763 1.00 0.00 N ATOM 1047 CA ARG A 68 -21.004 14.842 8.842 1.00 0.00 C ATOM 1048 C ARG A 68 -22.428 14.403 9.145 1.00 0.00 C ATOM 1049 O ARG A 68 -22.874 14.494 10.288 1.00 0.00 O ATOM 1050 CB ARG A 68 -20.043 13.652 8.957 1.00 0.00 C ATOM 1051 CG ARG A 68 -18.740 13.771 8.149 1.00 0.00 C ATOM 1052 CD ARG A 68 -17.886 14.971 8.555 1.00 0.00 C ATOM 1053 NE ARG A 68 -18.166 16.155 7.729 1.00 0.00 N ATOM 1054 CZ ARG A 68 -17.382 17.240 7.660 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -16.285 17.331 8.410 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -17.705 18.237 6.848 1.00 0.00 N ATOM 0 H ARG A 68 -20.159 15.562 10.607 1.00 0.00 H new ATOM 0 HA ARG A 68 -20.950 15.221 7.822 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.787 13.515 10.008 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.568 12.752 8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -18.157 12.859 8.276 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -18.983 13.849 7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -18.071 15.209 9.603 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -16.831 14.710 8.468 1.00 0.00 H new ATOM 0 HE ARG A 68 -19.018 16.150 7.168 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.036 16.571 9.043 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.694 18.160 8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.548 18.177 6.278 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.110 19.064 6.794 1.00 0.00 H new ATOM 1070 N GLU A 69 -23.138 13.935 8.137 1.00 0.00 N ATOM 1071 CA GLU A 69 -24.517 13.537 8.333 1.00 0.00 C ATOM 1072 C GLU A 69 -24.601 12.215 9.066 1.00 0.00 C ATOM 1073 O GLU A 69 -23.981 11.224 8.667 1.00 0.00 O ATOM 1074 CB GLU A 69 -25.258 13.439 7.003 1.00 0.00 C ATOM 1075 CG GLU A 69 -25.255 14.732 6.211 1.00 0.00 C ATOM 1076 CD GLU A 69 -25.822 15.909 6.991 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -26.886 15.761 7.617 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -25.209 16.999 6.968 1.00 0.00 O ATOM 0 H GLU A 69 -22.788 13.822 7.186 1.00 0.00 H new ATOM 0 HA GLU A 69 -24.994 14.306 8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -24.804 12.652 6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -26.289 13.141 7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -24.234 14.963 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -25.836 14.594 5.299 1.00 0.00 H new ATOM 1085 N HIS A 70 -25.366 12.209 10.134 1.00 0.00 N ATOM 1086 CA HIS A 70 -25.551 11.020 10.938 1.00 0.00 C ATOM 1087 C HIS A 70 -27.027 10.662 11.024 1.00 0.00 C ATOM 1088 O HIS A 70 -27.898 11.538 10.962 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.951 11.216 12.349 1.00 0.00 C ATOM 1090 CG HIS A 70 -25.608 12.296 13.168 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -25.546 13.632 12.842 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -26.330 12.226 14.313 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -26.197 14.335 13.747 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -26.684 13.510 14.652 1.00 0.00 N ATOM 0 H HIS A 70 -25.877 13.025 10.470 1.00 0.00 H new ATOM 0 HA HIS A 70 -25.025 10.194 10.459 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -25.020 10.274 12.893 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -23.891 11.449 12.249 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -26.581 11.328 14.858 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -26.312 15.409 13.747 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -27.233 13.780 15.469 1.00 0.00 H new ATOM 1102 N GLY A 71 -27.298 9.386 11.158 1.00 0.00 N ATOM 1103 CA GLY A 71 -28.651 8.914 11.249 1.00 0.00 C ATOM 1104 C GLY A 71 -28.973 8.420 12.633 1.00 0.00 C ATOM 1105 O GLY A 71 -28.334 8.821 13.603 1.00 0.00 O ATOM 0 H GLY A 71 -26.590 8.653 11.206 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -29.336 9.718 10.980 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -28.806 8.110 10.530 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.965 7.552 12.726 1.00 0.00 N ATOM 1110 CA ARG A 72 -30.404 7.016 14.014 1.00 0.00 C ATOM 1111 C ARG A 72 -29.361 6.094 14.617 1.00 0.00 C ATOM 1112 O ARG A 72 -29.060 6.177 15.801 1.00 0.00 O ATOM 1113 CB ARG A 72 -31.718 6.250 13.845 1.00 0.00 C ATOM 1114 CG ARG A 72 -32.854 7.078 13.265 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.289 8.215 14.181 1.00 0.00 C ATOM 1116 NE ARG A 72 -34.399 8.971 13.591 1.00 0.00 N ATOM 1117 CZ ARG A 72 -34.857 10.138 14.050 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -34.314 10.700 15.120 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -35.863 10.739 13.429 1.00 0.00 N ATOM 0 H ARG A 72 -30.487 7.199 11.924 1.00 0.00 H new ATOM 0 HA ARG A 72 -30.551 7.859 14.689 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -31.543 5.390 13.198 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -32.026 5.861 14.816 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -32.542 7.491 12.305 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -33.707 6.428 13.071 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -33.592 7.812 15.148 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -32.447 8.882 14.364 1.00 0.00 H new ATOM 0 HE ARG A 72 -34.855 8.576 12.769 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -33.540 10.241 15.600 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -34.670 11.592 15.464 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -36.283 10.309 12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -36.217 11.631 13.776 1.00 0.00 H new ATOM 1133 N THR A 73 -28.812 5.228 13.799 1.00 0.00 N ATOM 1134 CA THR A 73 -27.861 4.250 14.270 1.00 0.00 C ATOM 1135 C THR A 73 -26.622 4.162 13.380 1.00 0.00 C ATOM 1136 O THR A 73 -25.827 3.223 13.512 1.00 0.00 O ATOM 1137 CB THR A 73 -28.522 2.874 14.352 1.00 0.00 C ATOM 1138 OG1 THR A 73 -29.266 2.616 13.145 1.00 0.00 O ATOM 1139 CG2 THR A 73 -29.444 2.775 15.563 1.00 0.00 C ATOM 0 H THR A 73 -29.009 5.181 12.799 1.00 0.00 H new ATOM 0 HA THR A 73 -27.537 4.574 15.259 1.00 0.00 H new ATOM 0 HB THR A 73 -27.737 2.126 14.463 1.00 0.00 H new ATOM 0 HG1 THR A 73 -29.686 1.732 13.202 1.00 0.00 H new ATOM 0 HG21 THR A 73 -29.899 1.785 15.594 1.00 0.00 H new ATOM 0 HG22 THR A 73 -28.867 2.938 16.474 1.00 0.00 H new ATOM 0 HG23 THR A 73 -30.225 3.531 15.488 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.446 5.139 12.497 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.322 5.127 11.571 1.00 0.00 C ATOM 1149 C TRP A 74 -24.724 6.516 11.416 1.00 0.00 C ATOM 1150 O TRP A 74 -25.421 7.513 11.564 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.773 4.603 10.188 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.877 5.416 9.542 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -28.222 5.183 9.621 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -26.722 6.585 8.710 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -28.912 6.131 8.900 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -28.015 7.003 8.333 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -25.616 7.323 8.255 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -28.232 8.120 7.520 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -25.834 8.427 7.451 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -27.131 8.817 7.093 1.00 0.00 C ATOM 0 H TRP A 74 -27.064 5.945 12.404 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.560 4.464 11.981 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.912 4.587 9.520 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -26.112 3.573 10.296 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.677 4.372 10.170 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -29.926 6.178 8.802 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -24.612 7.033 8.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -29.230 8.423 7.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -24.990 8.998 7.093 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -27.267 9.686 6.467 1.00 0.00 H new ATOM 1171 N THR A 75 -23.435 6.580 11.140 1.00 0.00 N ATOM 1172 CA THR A 75 -22.784 7.848 10.866 1.00 0.00 C ATOM 1173 C THR A 75 -21.711 7.690 9.784 1.00 0.00 C ATOM 1174 O THR A 75 -21.073 6.629 9.672 1.00 0.00 O ATOM 1175 CB THR A 75 -22.171 8.488 12.149 1.00 0.00 C ATOM 1176 OG1 THR A 75 -21.761 9.828 11.875 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.967 7.701 12.666 1.00 0.00 C ATOM 0 H THR A 75 -22.818 5.769 11.100 1.00 0.00 H new ATOM 0 HA THR A 75 -23.556 8.526 10.501 1.00 0.00 H new ATOM 0 HB THR A 75 -22.945 8.473 12.917 1.00 0.00 H new ATOM 0 HG1 THR A 75 -21.378 10.225 12.685 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.573 8.184 13.560 1.00 0.00 H new ATOM 0 HG22 THR A 75 -21.274 6.684 12.908 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.194 7.673 11.898 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.537 8.728 8.976 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.505 8.737 7.948 1.00 0.00 C ATOM 1187 C LYS A 76 -19.246 9.385 8.492 1.00 0.00 C ATOM 1188 O LYS A 76 -19.193 10.599 8.690 1.00 0.00 O ATOM 1189 CB LYS A 76 -20.986 9.483 6.685 1.00 0.00 C ATOM 1190 CG LYS A 76 -19.938 9.642 5.610 1.00 0.00 C ATOM 1191 CD LYS A 76 -20.506 10.388 4.420 1.00 0.00 C ATOM 1192 CE LYS A 76 -19.461 10.581 3.350 1.00 0.00 C ATOM 1193 NZ LYS A 76 -18.517 11.700 3.661 1.00 0.00 N ATOM 0 H LYS A 76 -22.100 9.578 9.013 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.288 7.706 7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -21.839 8.948 6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.341 10.471 6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.079 10.182 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.580 8.662 5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -21.352 9.836 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -20.884 11.358 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.896 9.657 3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.954 10.780 2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.977 11.947 2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -19.056 12.530 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.861 11.402 4.411 1.00 0.00 H new ATOM 1207 N LEU A 77 -18.233 8.585 8.724 1.00 0.00 N ATOM 1208 CA LEU A 77 -16.994 9.088 9.264 1.00 0.00 C ATOM 1209 C LEU A 77 -15.970 9.262 8.165 1.00 0.00 C ATOM 1210 O LEU A 77 -15.580 8.303 7.499 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.464 8.162 10.358 1.00 0.00 C ATOM 1212 CG LEU A 77 -17.400 7.963 11.553 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -16.788 7.014 12.565 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.735 9.297 12.204 1.00 0.00 C ATOM 0 H LEU A 77 -18.243 7.581 8.547 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.185 10.063 9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.252 7.188 9.916 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.517 8.560 10.721 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.326 7.519 11.187 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.471 6.888 13.405 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.609 6.047 12.095 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.844 7.424 12.923 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.401 9.132 13.051 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.818 9.773 12.551 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.226 9.944 11.477 1.00 0.00 H new ATOM 1226 N THR A 78 -15.558 10.492 7.961 1.00 0.00 N ATOM 1227 CA THR A 78 -14.593 10.820 6.941 1.00 0.00 C ATOM 1228 C THR A 78 -13.276 11.239 7.592 1.00 0.00 C ATOM 1229 O THR A 78 -13.239 12.193 8.364 1.00 0.00 O ATOM 1230 CB THR A 78 -15.138 11.955 6.058 1.00 0.00 C ATOM 1231 OG1 THR A 78 -16.459 11.593 5.603 1.00 0.00 O ATOM 1232 CG2 THR A 78 -14.230 12.196 4.857 1.00 0.00 C ATOM 0 H THR A 78 -15.884 11.294 8.500 1.00 0.00 H new ATOM 0 HA THR A 78 -14.413 9.945 6.317 1.00 0.00 H new ATOM 0 HB THR A 78 -15.176 12.874 6.643 1.00 0.00 H new ATOM 0 HG1 THR A 78 -17.107 12.259 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.638 13.003 4.249 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.234 12.470 5.203 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.169 11.287 4.259 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.201 10.524 7.283 1.00 0.00 N ATOM 1241 CA TYR A 79 -10.909 10.805 7.901 1.00 0.00 C ATOM 1242 C TYR A 79 -9.938 11.425 6.911 1.00 0.00 C ATOM 1243 O TYR A 79 -8.854 11.853 7.299 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.302 9.520 8.459 1.00 0.00 C ATOM 1245 CG TYR A 79 -11.193 8.795 9.436 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -11.309 9.225 10.748 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -11.927 7.683 9.042 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -12.126 8.567 11.642 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.748 7.021 9.931 1.00 0.00 C ATOM 1250 CZ TYR A 79 -12.840 7.468 11.231 1.00 0.00 C ATOM 1251 OH TYR A 79 -13.648 6.812 12.120 1.00 0.00 O ATOM 0 H TYR A 79 -12.196 9.753 6.615 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.081 11.517 8.708 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.068 8.851 7.631 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.359 9.759 8.951 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.750 10.089 11.075 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.854 7.331 8.023 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.204 8.914 12.662 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.314 6.159 9.611 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.083 6.058 11.671 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.324 11.443 5.624 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.495 12.010 4.530 1.00 0.00 C ATOM 1263 C ALA A 80 -8.245 11.158 4.236 1.00 0.00 C ATOM 1264 O ALA A 80 -7.681 11.220 3.139 1.00 0.00 O ATOM 1265 CB ALA A 80 -9.096 13.451 4.833 1.00 0.00 C ATOM 0 H ALA A 80 -11.217 11.067 5.306 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.115 11.998 3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.490 13.840 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.992 14.061 4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.520 13.482 5.758 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.810 10.392 5.218 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.647 9.539 5.069 1.00 0.00 C ATOM 1273 C ASN A 81 -7.061 8.081 4.974 1.00 0.00 C ATOM 1274 O ASN A 81 -7.924 7.617 5.723 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.680 9.728 6.241 1.00 0.00 C ATOM 1276 CG ASN A 81 -5.015 11.100 6.263 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -5.579 12.099 5.814 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -3.808 11.153 6.782 1.00 0.00 N ATOM 0 H ASN A 81 -8.250 10.343 6.137 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.140 9.823 4.147 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.221 9.580 7.176 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.909 8.959 6.193 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.309 12.041 6.822 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.371 10.306 7.145 1.00 0.00 H new ATOM 1285 N HIS A 82 -6.433 7.361 4.065 1.00 0.00 N ATOM 1286 CA HIS A 82 -6.734 5.956 3.844 1.00 0.00 C ATOM 1287 C HIS A 82 -6.307 5.100 5.040 1.00 0.00 C ATOM 1288 O HIS A 82 -6.935 4.088 5.344 1.00 0.00 O ATOM 1289 CB HIS A 82 -6.062 5.452 2.549 1.00 0.00 C ATOM 1290 CG HIS A 82 -4.560 5.360 2.619 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -3.733 6.457 2.514 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -3.746 4.294 2.801 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -2.474 6.071 2.629 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -2.455 4.767 2.805 1.00 0.00 N ATOM 0 H HIS A 82 -5.701 7.731 3.459 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.814 5.861 3.734 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.463 4.468 2.306 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.335 6.118 1.730 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.053 3.265 2.921 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -1.609 6.716 2.586 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.617 4.198 2.925 1.00 0.00 H new ATOM 1302 N SER A 83 -5.237 5.514 5.708 1.00 0.00 N ATOM 1303 CA SER A 83 -4.715 4.784 6.849 1.00 0.00 C ATOM 1304 C SER A 83 -5.758 4.710 7.966 1.00 0.00 C ATOM 1305 O SER A 83 -6.035 3.639 8.505 1.00 0.00 O ATOM 1306 CB SER A 83 -3.464 5.488 7.352 1.00 0.00 C ATOM 1307 OG SER A 83 -2.584 5.757 6.277 1.00 0.00 O ATOM 0 H SER A 83 -4.713 6.358 5.474 1.00 0.00 H new ATOM 0 HA SER A 83 -4.472 3.766 6.544 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.738 6.419 7.848 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.963 4.867 8.094 1.00 0.00 H new ATOM 0 HG SER A 83 -1.784 6.212 6.615 1.00 0.00 H new ATOM 1313 N SER A 84 -6.355 5.852 8.276 1.00 0.00 N ATOM 1314 CA SER A 84 -7.385 5.938 9.296 1.00 0.00 C ATOM 1315 C SER A 84 -8.632 5.187 8.851 1.00 0.00 C ATOM 1316 O SER A 84 -9.304 4.540 9.654 1.00 0.00 O ATOM 1317 CB SER A 84 -7.708 7.401 9.571 1.00 0.00 C ATOM 1318 OG SER A 84 -6.521 8.137 9.842 1.00 0.00 O ATOM 0 H SER A 84 -6.138 6.742 7.827 1.00 0.00 H new ATOM 0 HA SER A 84 -7.022 5.478 10.215 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.221 7.833 8.712 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.389 7.475 10.419 1.00 0.00 H new ATOM 0 HG SER A 84 -6.749 9.074 10.014 1.00 0.00 H new ATOM 1324 N TYR A 85 -8.911 5.270 7.555 1.00 0.00 N ATOM 1325 CA TYR A 85 -10.056 4.612 6.941 1.00 0.00 C ATOM 1326 C TYR A 85 -10.002 3.101 7.162 1.00 0.00 C ATOM 1327 O TYR A 85 -10.960 2.500 7.630 1.00 0.00 O ATOM 1328 CB TYR A 85 -10.031 4.929 5.432 1.00 0.00 C ATOM 1329 CG TYR A 85 -11.025 4.163 4.580 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -12.294 4.654 4.344 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -10.672 2.948 3.997 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -13.193 3.962 3.555 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -11.562 2.250 3.211 1.00 0.00 C ATOM 1334 CZ TYR A 85 -12.825 2.764 2.992 1.00 0.00 C ATOM 1335 OH TYR A 85 -13.720 2.074 2.206 1.00 0.00 O ATOM 0 H TYR A 85 -8.343 5.801 6.896 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.978 4.977 7.395 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.215 5.995 5.301 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.028 4.730 5.055 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.589 5.595 4.784 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.683 2.546 4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.181 4.361 3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.274 1.307 2.769 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.303 1.248 1.884 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.868 2.507 6.840 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.692 1.089 6.950 1.00 0.00 C ATOM 1347 C LEU A 86 -8.668 0.632 8.414 1.00 0.00 C ATOM 1348 O LEU A 86 -9.251 -0.395 8.762 1.00 0.00 O ATOM 1349 CB LEU A 86 -7.414 0.682 6.241 1.00 0.00 C ATOM 1350 CG LEU A 86 -7.178 -0.803 6.148 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -8.236 -1.461 5.279 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -5.800 -1.095 5.617 1.00 0.00 C ATOM 0 H LEU A 86 -8.047 3.004 6.495 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.542 0.599 6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.429 1.095 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.569 1.136 6.759 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.250 -1.220 7.152 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.047 -2.533 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.221 -1.287 5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.200 -1.035 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.653 -2.174 5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.693 -0.660 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.054 -0.663 6.284 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.987 1.390 9.265 1.00 0.00 N ATOM 1365 CA ARG A 87 -7.881 1.034 10.683 1.00 0.00 C ATOM 1366 C ARG A 87 -9.238 1.101 11.385 1.00 0.00 C ATOM 1367 O ARG A 87 -9.556 0.257 12.224 1.00 0.00 O ATOM 1368 CB ARG A 87 -6.873 1.935 11.404 1.00 0.00 C ATOM 1369 CG ARG A 87 -5.424 1.735 10.966 1.00 0.00 C ATOM 1370 CD ARG A 87 -4.906 0.339 11.303 1.00 0.00 C ATOM 1371 NE ARG A 87 -4.931 0.062 12.747 1.00 0.00 N ATOM 1372 CZ ARG A 87 -4.162 -0.856 13.354 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -3.268 -1.555 12.658 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -4.282 -1.063 14.658 1.00 0.00 N ATOM 0 H ARG A 87 -7.502 2.249 9.005 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.526 0.004 10.727 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.150 2.976 11.237 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.944 1.754 12.477 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.345 1.900 9.891 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.794 2.481 11.450 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.510 -0.404 10.783 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.886 0.235 10.934 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.574 0.603 13.325 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.163 -1.395 11.656 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.688 -2.251 13.127 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.958 -0.525 15.200 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.698 -1.760 15.120 1.00 0.00 H new ATOM 1388 N ALA A 88 -10.030 2.109 11.040 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.348 2.283 11.634 1.00 0.00 C ATOM 1390 C ALA A 88 -12.367 1.344 10.995 1.00 0.00 C ATOM 1391 O ALA A 88 -13.468 1.156 11.521 1.00 0.00 O ATOM 1392 CB ALA A 88 -11.807 3.727 11.500 1.00 0.00 C ATOM 0 H ALA A 88 -9.781 2.819 10.351 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.273 2.035 12.693 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.794 3.838 11.949 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.100 4.382 12.009 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.856 3.997 10.445 1.00 0.00 H new ATOM 1398 N LEU A 89 -11.988 0.760 9.860 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.850 -0.154 9.124 1.00 0.00 C ATOM 1400 C LEU A 89 -13.166 -1.387 9.971 1.00 0.00 C ATOM 1401 O LEU A 89 -14.307 -1.837 10.021 1.00 0.00 O ATOM 1402 CB LEU A 89 -12.159 -0.580 7.822 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.966 -1.484 6.894 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -14.116 -0.711 6.274 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -12.073 -2.081 5.820 1.00 0.00 C ATOM 0 H LEU A 89 -11.076 0.909 9.428 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.784 0.356 8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.884 0.319 7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.232 -1.093 8.078 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.381 -2.303 7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.683 -1.368 5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.769 -0.336 7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.723 0.128 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.666 -2.722 5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.626 -1.280 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.284 -2.670 6.288 1.00 0.00 H new ATOM 1417 N ARG A 90 -12.133 -1.915 10.641 1.00 0.00 N ATOM 1418 CA ARG A 90 -12.271 -3.097 11.500 1.00 0.00 C ATOM 1419 C ARG A 90 -13.007 -4.238 10.790 1.00 0.00 C ATOM 1420 O ARG A 90 -12.492 -4.797 9.830 1.00 0.00 O ATOM 1421 CB ARG A 90 -12.952 -2.738 12.831 1.00 0.00 C ATOM 1422 CG ARG A 90 -12.027 -2.088 13.852 1.00 0.00 C ATOM 1423 CD ARG A 90 -10.985 -3.083 14.345 1.00 0.00 C ATOM 1424 NE ARG A 90 -10.123 -2.531 15.393 1.00 0.00 N ATOM 1425 CZ ARG A 90 -9.319 -3.274 16.168 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -9.275 -4.594 16.009 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -8.563 -2.698 17.093 1.00 0.00 N ATOM 0 H ARG A 90 -11.186 -1.538 10.603 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.265 -3.454 11.722 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.784 -2.063 12.630 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.375 -3.644 13.266 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.531 -1.227 13.404 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.611 -1.718 14.695 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.489 -3.971 14.726 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.368 -3.402 13.505 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.135 -1.522 15.542 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.853 -5.042 15.297 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.663 -5.159 16.599 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.591 -1.686 17.217 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.953 -3.267 17.680 1.00 0.00 H new ATOM 1441 N GLU A 91 -14.216 -4.567 11.273 1.00 0.00 N ATOM 1442 CA GLU A 91 -15.047 -5.635 10.697 1.00 0.00 C ATOM 1443 C GLU A 91 -14.291 -6.990 10.669 1.00 0.00 C ATOM 1444 O GLU A 91 -14.576 -7.872 9.866 1.00 0.00 O ATOM 1445 CB GLU A 91 -15.534 -5.226 9.291 1.00 0.00 C ATOM 1446 CG GLU A 91 -16.631 -6.116 8.725 1.00 0.00 C ATOM 1447 CD GLU A 91 -17.846 -6.188 9.631 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -18.691 -5.273 9.580 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -17.955 -7.170 10.402 1.00 0.00 O ATOM 0 H GLU A 91 -14.644 -4.100 12.073 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.920 -5.775 11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -15.899 -4.200 9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.685 -5.237 8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.932 -5.739 7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -16.236 -7.120 8.571 1.00 0.00 H new ATOM 1456 N HIS A 92 -13.343 -7.144 11.583 1.00 0.00 N ATOM 1457 CA HIS A 92 -12.561 -8.377 11.691 1.00 0.00 C ATOM 1458 C HIS A 92 -12.833 -9.068 13.015 1.00 0.00 C ATOM 1459 O HIS A 92 -11.907 -9.499 13.700 1.00 0.00 O ATOM 1460 CB HIS A 92 -11.058 -8.098 11.547 1.00 0.00 C ATOM 1461 CG HIS A 92 -10.579 -7.984 10.132 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -9.938 -9.010 9.473 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -10.635 -6.958 9.253 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -9.621 -8.618 8.253 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -10.033 -7.379 8.095 1.00 0.00 N ATOM 0 H HIS A 92 -13.093 -6.429 12.266 1.00 0.00 H new ATOM 0 HA HIS A 92 -12.868 -9.034 10.877 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -10.821 -7.173 12.073 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.504 -8.896 12.041 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -11.073 -5.987 9.430 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.110 -9.213 7.511 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -9.923 -6.821 7.248 1.00 0.00 H new ATOM 1473 N GLY A 93 -14.102 -9.176 13.369 1.00 0.00 N ATOM 1474 CA GLY A 93 -14.464 -9.802 14.620 1.00 0.00 C ATOM 1475 C GLY A 93 -14.514 -8.807 15.743 1.00 0.00 C ATOM 1476 O GLY A 93 -14.158 -9.115 16.882 1.00 0.00 O ATOM 0 H GLY A 93 -14.888 -8.841 12.812 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.436 -10.285 14.518 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.743 -10.584 14.858 1.00 0.00 H new ATOM 1480 N THR A 94 -14.957 -7.609 15.428 1.00 0.00 N ATOM 1481 CA THR A 94 -15.031 -6.555 16.401 1.00 0.00 C ATOM 1482 C THR A 94 -16.398 -6.539 17.081 1.00 0.00 C ATOM 1483 O THR A 94 -17.396 -6.118 16.492 1.00 0.00 O ATOM 1484 CB THR A 94 -14.758 -5.195 15.737 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.520 -5.268 15.008 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.668 -4.082 16.778 1.00 0.00 C ATOM 0 H THR A 94 -15.273 -7.345 14.495 1.00 0.00 H new ATOM 0 HA THR A 94 -14.270 -6.739 17.159 1.00 0.00 H new ATOM 0 HB THR A 94 -15.583 -4.966 15.062 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.692 -5.607 14.105 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.474 -3.132 16.279 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.608 -4.019 17.326 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.857 -4.299 17.473 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.430 -7.005 18.314 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.650 -7.026 19.095 1.00 0.00 C ATOM 1496 C ILE A 95 -17.576 -6.007 20.206 1.00 0.00 C ATOM 1497 O ILE A 95 -16.656 -6.030 21.034 1.00 0.00 O ATOM 1498 CB ILE A 95 -17.946 -8.438 19.669 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -18.254 -9.410 18.529 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -19.099 -8.396 20.669 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -18.342 -10.853 18.964 1.00 0.00 C ATOM 0 H ILE A 95 -15.615 -7.378 18.800 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.473 -6.768 18.429 1.00 0.00 H new ATOM 0 HB ILE A 95 -17.061 -8.786 20.201 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -19.197 -9.123 18.064 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.481 -9.317 17.766 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -19.283 -9.399 21.054 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -18.841 -7.732 21.494 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -19.997 -8.027 20.174 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -18.563 -11.480 18.101 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -17.392 -11.160 19.402 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -19.135 -10.962 19.704 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.532 -5.110 20.220 1.00 0.00 N ATOM 1514 CA TYR A 96 -18.554 -4.060 21.186 1.00 0.00 C ATOM 1515 C TYR A 96 -19.862 -4.098 21.972 1.00 0.00 C ATOM 1516 O TYR A 96 -20.944 -4.112 21.387 1.00 0.00 O ATOM 1517 CB TYR A 96 -18.386 -2.716 20.483 1.00 0.00 C ATOM 1518 CG TYR A 96 -17.778 -1.658 21.359 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -16.402 -1.588 21.517 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -18.566 -0.745 22.035 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -15.829 -0.637 22.322 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -17.996 0.214 22.843 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.627 0.261 22.980 1.00 0.00 C ATOM 1524 OH TYR A 96 -16.057 1.202 23.783 1.00 0.00 O ATOM 0 H TYR A 96 -19.310 -5.095 19.561 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.730 -4.195 21.887 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -17.760 -2.851 19.601 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -19.360 -2.373 20.133 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -15.771 -2.294 20.997 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -19.640 -0.784 21.928 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -14.756 -0.596 22.436 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -18.619 0.925 23.366 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.166 1.426 23.442 1.00 0.00 H new ATOM 1534 N CYS A 97 -19.751 -4.155 23.296 1.00 0.00 N ATOM 1535 CA CYS A 97 -20.918 -4.177 24.188 1.00 0.00 C ATOM 1536 C CYS A 97 -21.810 -5.407 23.939 1.00 0.00 C ATOM 1537 O CYS A 97 -22.999 -5.410 24.284 1.00 0.00 O ATOM 1538 CB CYS A 97 -21.728 -2.880 24.055 1.00 0.00 C ATOM 1539 SG CYS A 97 -20.854 -1.407 24.642 1.00 0.00 S ATOM 0 H CYS A 97 -18.856 -4.187 23.784 1.00 0.00 H new ATOM 0 HA CYS A 97 -20.545 -4.250 25.209 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -21.998 -2.737 23.009 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -22.658 -2.985 24.613 1.00 0.00 H new ATOM 0 HG CYS A 97 -19.951 -1.063 23.773 1.00 0.00 H new ATOM 1545 N GLY A 98 -21.228 -6.455 23.368 1.00 0.00 N ATOM 1546 CA GLY A 98 -21.979 -7.674 23.131 1.00 0.00 C ATOM 1547 C GLY A 98 -22.457 -7.826 21.700 1.00 0.00 C ATOM 1548 O GLY A 98 -22.968 -8.882 21.327 1.00 0.00 O ATOM 0 H GLY A 98 -20.254 -6.483 23.066 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -21.356 -8.530 23.390 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -22.842 -7.694 23.797 1.00 0.00 H new ATOM 1552 N ALA A 99 -22.290 -6.794 20.890 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.723 -6.845 19.502 1.00 0.00 C ATOM 1554 C ALA A 99 -21.625 -6.380 18.571 1.00 0.00 C ATOM 1555 O ALA A 99 -20.849 -5.492 18.907 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.961 -5.994 19.311 1.00 0.00 C ATOM 0 H ALA A 99 -21.859 -5.912 21.168 1.00 0.00 H new ATOM 0 HA ALA A 99 -22.959 -7.881 19.259 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -24.276 -6.039 18.269 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.762 -6.368 19.949 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.737 -4.961 19.578 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.546 -6.991 17.410 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.557 -6.600 16.429 1.00 0.00 C ATOM 1564 C ALA A 100 -20.993 -5.329 15.720 1.00 0.00 C ATOM 1565 O ALA A 100 -22.131 -5.234 15.244 1.00 0.00 O ATOM 1566 CB ALA A 100 -20.336 -7.721 15.425 1.00 0.00 C ATOM 0 H ALA A 100 -22.153 -7.759 17.122 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.615 -6.405 16.941 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.589 -7.412 14.693 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -19.986 -8.612 15.946 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -21.274 -7.943 14.915 1.00 0.00 H new ATOM 1572 N ILE A 101 -20.101 -4.362 15.649 1.00 0.00 N ATOM 1573 CA ILE A 101 -20.401 -3.116 14.972 1.00 0.00 C ATOM 1574 C ILE A 101 -20.107 -3.247 13.488 1.00 0.00 C ATOM 1575 O ILE A 101 -19.235 -4.023 13.086 1.00 0.00 O ATOM 1576 CB ILE A 101 -19.626 -1.907 15.566 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -18.112 -2.124 15.481 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -20.053 -1.652 17.010 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -17.309 -0.911 15.901 1.00 0.00 C ATOM 0 H ILE A 101 -19.165 -4.414 16.050 1.00 0.00 H new ATOM 0 HA ILE A 101 -21.462 -2.918 15.123 1.00 0.00 H new ATOM 0 HB ILE A 101 -19.872 -1.027 14.972 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.837 -2.969 16.112 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.847 -2.390 14.458 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -19.499 -0.802 17.408 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -21.121 -1.436 17.041 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.844 -2.536 17.613 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -16.245 -1.132 15.817 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.557 -0.069 15.255 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.547 -0.657 16.934 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.844 -2.525 12.680 1.00 0.00 N ATOM 1592 CA GLY A 102 -20.660 -2.612 11.262 1.00 0.00 C ATOM 1593 C GLY A 102 -20.035 -1.373 10.673 1.00 0.00 C ATOM 1594 O GLY A 102 -20.683 -0.331 10.576 1.00 0.00 O ATOM 0 H GLY A 102 -21.571 -1.876 12.982 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -20.031 -3.473 11.035 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.625 -2.787 10.786 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.779 -1.479 10.298 1.00 0.00 N ATOM 1599 CA CYS A 103 -18.089 -0.398 9.627 1.00 0.00 C ATOM 1600 C CYS A 103 -17.844 -0.809 8.190 1.00 0.00 C ATOM 1601 O CYS A 103 -16.985 -1.650 7.911 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.761 -0.092 10.317 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.889 0.264 12.084 1.00 0.00 S ATOM 0 H CYS A 103 -18.209 -2.312 10.448 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.700 0.504 9.664 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -16.092 -0.942 10.179 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -16.298 0.761 9.821 1.00 0.00 H new ATOM 0 HG CYS A 103 -15.699 0.297 12.607 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.609 -0.258 7.288 1.00 0.00 N ATOM 1610 CA VAL A 104 -18.508 -0.637 5.895 1.00 0.00 C ATOM 1611 C VAL A 104 -18.085 0.542 5.029 1.00 0.00 C ATOM 1612 O VAL A 104 -18.174 1.699 5.458 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.857 -1.206 5.370 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -20.294 -2.408 6.187 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.934 -0.132 5.375 1.00 0.00 C ATOM 0 H VAL A 104 -19.311 0.455 7.487 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.745 -1.413 5.830 1.00 0.00 H new ATOM 0 HB VAL A 104 -19.706 -1.534 4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -21.240 -2.787 5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -19.536 -3.188 6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -20.421 -2.113 7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.869 -0.552 5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -21.079 0.233 6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.627 0.694 4.733 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.599 0.268 3.800 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.235 1.314 2.848 1.00 0.00 C ATOM 1627 C PRO A 105 -18.464 2.110 2.432 1.00 0.00 C ATOM 1628 O PRO A 105 -19.587 1.589 2.469 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.668 0.544 1.646 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.389 -0.830 2.150 1.00 0.00 C ATOM 1631 CD PRO A 105 -17.371 -1.077 3.250 1.00 0.00 C ATOM 0 HA PRO A 105 -16.526 2.030 3.264 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.381 0.523 0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.760 1.016 1.270 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -16.502 -1.567 1.355 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -15.366 -0.910 2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -18.293 -1.521 2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -16.972 -1.758 4.002 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.267 3.358 2.051 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.384 4.209 1.687 1.00 0.00 C ATOM 1641 C TYR A 106 -20.135 3.661 0.474 1.00 0.00 C ATOM 1642 O TYR A 106 -19.550 3.422 -0.581 1.00 0.00 O ATOM 1643 CB TYR A 106 -18.913 5.645 1.416 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.039 6.588 1.030 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -20.854 7.158 2.003 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -20.287 6.899 -0.301 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -21.886 8.011 1.659 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -21.316 7.752 -0.653 1.00 0.00 C ATOM 1649 CZ TYR A 106 -22.113 8.305 0.329 1.00 0.00 C ATOM 1650 OH TYR A 106 -23.141 9.148 -0.024 1.00 0.00 O ATOM 0 H TYR A 106 -17.351 3.803 1.986 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.072 4.221 2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.416 6.030 2.306 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.171 5.631 0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.678 6.930 3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -19.666 6.468 -1.072 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -22.511 8.445 2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -21.496 7.985 -1.692 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.161 9.249 -0.999 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.430 3.456 0.652 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.304 2.987 -0.407 1.00 0.00 C ATOM 1662 C LYS A 107 -23.538 3.863 -0.456 1.00 0.00 C ATOM 1663 O LYS A 107 -24.193 4.069 0.564 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.714 1.533 -0.166 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.569 0.541 -0.261 1.00 0.00 C ATOM 1666 CD LYS A 107 -22.047 -0.884 -0.027 1.00 0.00 C ATOM 1667 CE LYS A 107 -20.903 -1.875 -0.163 1.00 0.00 C ATOM 1668 NZ LYS A 107 -21.353 -3.272 0.054 1.00 0.00 N ATOM 0 H LYS A 107 -21.905 3.612 1.541 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.771 3.041 -1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -23.168 1.454 0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.480 1.258 -0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -21.104 0.613 -1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.804 0.795 0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -22.486 -0.965 0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -22.832 -1.130 -0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -20.461 -1.786 -1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -20.122 -1.629 0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -20.544 -3.917 -0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -21.751 -3.364 1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -22.080 -3.516 -0.649 1.00 0.00 H new ATOM 1682 N HIS A 108 -23.861 4.369 -1.632 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.002 5.265 -1.785 1.00 0.00 C ATOM 1684 C HIS A 108 -26.324 4.543 -1.516 1.00 0.00 C ATOM 1685 O HIS A 108 -27.200 5.074 -0.833 1.00 0.00 O ATOM 1686 CB HIS A 108 -25.023 5.903 -3.180 1.00 0.00 C ATOM 1687 CG HIS A 108 -26.114 6.918 -3.344 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -27.322 6.636 -3.932 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -26.177 8.218 -2.968 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -28.086 7.715 -3.911 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -27.414 8.689 -3.331 1.00 0.00 N ATOM 0 H HIS A 108 -23.353 4.178 -2.496 1.00 0.00 H new ATOM 0 HA HIS A 108 -24.889 6.056 -1.043 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -24.061 6.378 -3.371 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -25.146 5.121 -3.929 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -25.398 8.780 -2.474 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -29.090 7.786 -4.303 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -27.757 9.637 -3.177 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.449 3.330 -2.038 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.669 2.551 -1.879 1.00 0.00 C ATOM 1701 C GLU A 109 -27.889 2.193 -0.416 1.00 0.00 C ATOM 1702 O GLU A 109 -29.029 2.145 0.066 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.604 1.286 -2.727 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.876 0.463 -2.690 1.00 0.00 C ATOM 1705 CD GLU A 109 -28.769 -0.798 -3.504 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -28.222 -1.795 -2.992 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -29.236 -0.803 -4.669 1.00 0.00 O ATOM 0 H GLU A 109 -25.719 2.864 -2.576 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.510 3.157 -2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.390 1.562 -3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.773 0.670 -2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -29.109 0.206 -1.657 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.705 1.064 -3.064 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.795 1.952 0.291 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.859 1.622 1.700 1.00 0.00 C ATOM 1716 C LEU A 110 -27.458 2.782 2.482 1.00 0.00 C ATOM 1717 O LEU A 110 -28.267 2.578 3.375 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.472 1.289 2.246 1.00 0.00 C ATOM 1719 CG LEU A 110 -25.430 0.866 3.716 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -26.149 -0.458 3.918 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -24.000 0.777 4.203 1.00 0.00 C ATOM 0 H LEU A 110 -25.851 1.980 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.494 0.744 1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -25.045 0.488 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.831 2.161 2.118 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.946 1.625 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -26.106 -0.738 4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -27.190 -0.357 3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -25.667 -1.229 3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.990 0.475 5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -23.458 0.042 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.520 1.750 4.102 1.00 0.00 H new ATOM 1733 N ILE A 111 -27.070 4.005 2.115 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.572 5.201 2.782 1.00 0.00 C ATOM 1735 C ILE A 111 -29.085 5.292 2.628 1.00 0.00 C ATOM 1736 O ILE A 111 -29.799 5.591 3.585 1.00 0.00 O ATOM 1737 CB ILE A 111 -26.925 6.489 2.213 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.393 6.402 2.273 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -27.422 7.720 2.969 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -24.832 6.236 3.671 1.00 0.00 C ATOM 0 H ILE A 111 -26.410 4.190 1.360 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.308 5.120 3.837 1.00 0.00 H new ATOM 0 HB ILE A 111 -27.220 6.584 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -25.064 5.563 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -24.972 7.304 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -26.956 8.614 2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -28.505 7.796 2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -27.160 7.630 4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -23.744 6.183 3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.127 7.087 4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.221 5.318 4.112 1.00 0.00 H new ATOM 1752 N SER A 112 -29.570 5.021 1.425 1.00 0.00 N ATOM 1753 CA SER A 112 -30.996 5.025 1.165 1.00 0.00 C ATOM 1754 C SER A 112 -31.704 3.994 2.047 1.00 0.00 C ATOM 1755 O SER A 112 -32.758 4.269 2.606 1.00 0.00 O ATOM 1756 CB SER A 112 -31.264 4.733 -0.308 1.00 0.00 C ATOM 1757 OG SER A 112 -30.617 5.683 -1.140 1.00 0.00 O ATOM 0 H SER A 112 -28.993 4.796 0.615 1.00 0.00 H new ATOM 0 HA SER A 112 -31.389 6.013 1.404 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.913 3.731 -0.553 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.337 4.750 -0.497 1.00 0.00 H new ATOM 0 HG SER A 112 -30.802 5.475 -2.080 1.00 0.00 H new ATOM 1763 N GLU A 113 -31.102 2.818 2.181 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.666 1.763 3.020 1.00 0.00 C ATOM 1765 C GLU A 113 -31.640 2.178 4.497 1.00 0.00 C ATOM 1766 O GLU A 113 -32.613 1.995 5.228 1.00 0.00 O ATOM 1767 CB GLU A 113 -30.874 0.464 2.828 1.00 0.00 C ATOM 1768 CG GLU A 113 -31.452 -0.730 3.568 1.00 0.00 C ATOM 1769 CD GLU A 113 -32.802 -1.145 3.030 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -32.846 -1.780 1.964 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -33.827 -0.837 3.667 1.00 0.00 O ATOM 0 H GLU A 113 -30.226 2.570 1.722 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.702 1.599 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -30.830 0.232 1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -29.849 0.623 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -30.761 -1.569 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -31.545 -0.487 4.627 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.523 2.755 4.910 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.333 3.194 6.280 1.00 0.00 C ATOM 1780 C LEU A 114 -31.322 4.289 6.660 1.00 0.00 C ATOM 1781 O LEU A 114 -31.843 4.305 7.769 1.00 0.00 O ATOM 1782 CB LEU A 114 -28.907 3.672 6.487 1.00 0.00 C ATOM 1783 CG LEU A 114 -27.831 2.600 6.349 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -26.469 3.197 6.583 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -28.082 1.442 7.305 1.00 0.00 C ATOM 0 H LEU A 114 -29.723 2.932 4.303 1.00 0.00 H new ATOM 0 HA LEU A 114 -30.519 2.340 6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -28.700 4.465 5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -28.830 4.114 7.481 1.00 0.00 H new ATOM 0 HG LEU A 114 -27.871 2.206 5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -25.710 2.422 6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -26.285 3.983 5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -26.424 3.619 7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -27.299 0.694 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -28.077 1.810 8.331 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -29.050 0.992 7.086 1.00 0.00 H new ATOM 1797 N SER A 115 -31.572 5.204 5.736 1.00 0.00 N ATOM 1798 CA SER A 115 -32.499 6.295 5.978 1.00 0.00 C ATOM 1799 C SER A 115 -33.959 5.819 6.016 1.00 0.00 C ATOM 1800 O SER A 115 -34.836 6.531 6.513 1.00 0.00 O ATOM 1801 CB SER A 115 -32.295 7.405 4.945 1.00 0.00 C ATOM 1802 OG SER A 115 -32.276 6.885 3.630 1.00 0.00 O ATOM 0 H SER A 115 -31.144 5.211 4.810 1.00 0.00 H new ATOM 0 HA SER A 115 -32.283 6.701 6.966 1.00 0.00 H new ATOM 0 HB2 SER A 115 -33.094 8.141 5.036 1.00 0.00 H new ATOM 0 HB3 SER A 115 -31.358 7.925 5.147 1.00 0.00 H new ATOM 0 HG SER A 115 -31.386 6.524 3.434 1.00 0.00 H new