USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 622 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 TYR OH : rot 180:sc= 0.429 USER MOD Set 1.2: A 75 THR OG1 : rot 136:sc= 0.696 USER MOD Single : A 11 ASN : amide:sc= 1.79 K(o=1.8,f=-0.55) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.0458 (180deg=-0.262) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0117 K(o=-0.012,f=-0.59) USER MOD Single : A 67 SER OG : rot -45:sc= 0.978 USER MOD Single : A 70 HIS : no HD1:sc= -0.131 X(o=-0.13,f=0.013) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -113:sc= 1.24 (180deg=0.72) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.289 K(o=-0.29,f=-9.9!) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 138:sc= 0.623 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 77:sc= 2.06 USER MOD Single : A 96 TYR OH : rot 180:sc= -0.557 USER MOD Single : A 97 CYS SG : rot -41:sc= -0.228 USER MOD Single : A 103 CYS SG : rot 90:sc= -1.92 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00968) USER MOD Single : A 108 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.18) USER MOD Single : A 112 SER OG : rot 20:sc= 1.19 USER MOD Single : A 115 SER OG : rot 95:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -13.414 9.668 0.776 1.00 0.00 N ATOM 131 CA ASN A 11 -12.607 9.237 1.920 1.00 0.00 C ATOM 132 C ASN A 11 -13.510 9.055 3.144 1.00 0.00 C ATOM 133 O ASN A 11 -13.039 8.901 4.272 1.00 0.00 O ATOM 134 CB ASN A 11 -11.511 10.289 2.202 1.00 0.00 C ATOM 135 CG ASN A 11 -10.266 9.733 2.901 1.00 0.00 C ATOM 136 OD1 ASN A 11 -9.158 10.207 2.668 1.00 0.00 O ATOM 137 ND2 ASN A 11 -10.435 8.761 3.768 1.00 0.00 N ATOM 0 HA ASN A 11 -12.127 8.284 1.697 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.210 10.745 1.259 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.935 11.082 2.818 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.633 8.379 4.269 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.369 8.388 3.940 1.00 0.00 H new ATOM 144 N ALA A 12 -14.807 9.064 2.906 1.00 0.00 N ATOM 145 CA ALA A 12 -15.776 8.926 3.976 1.00 0.00 C ATOM 146 C ALA A 12 -16.223 7.481 4.134 1.00 0.00 C ATOM 147 O ALA A 12 -16.416 6.761 3.148 1.00 0.00 O ATOM 148 CB ALA A 12 -16.981 9.821 3.716 1.00 0.00 C ATOM 0 H ALA A 12 -15.216 9.166 1.977 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.295 9.235 4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.700 9.707 4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.657 10.860 3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.449 9.537 2.774 1.00 0.00 H new ATOM 154 N VAL A 13 -16.380 7.062 5.372 1.00 0.00 N ATOM 155 CA VAL A 13 -16.857 5.731 5.678 1.00 0.00 C ATOM 156 C VAL A 13 -18.057 5.830 6.586 1.00 0.00 C ATOM 157 O VAL A 13 -18.265 6.857 7.247 1.00 0.00 O ATOM 158 CB VAL A 13 -15.776 4.845 6.360 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.609 4.595 5.424 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.293 5.475 7.658 1.00 0.00 C ATOM 0 H VAL A 13 -16.181 7.634 6.193 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.118 5.256 4.732 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.235 3.885 6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.867 3.973 5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.964 4.086 4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.156 5.546 5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.538 4.835 8.114 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.861 6.454 7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.134 5.588 8.342 1.00 0.00 H new ATOM 170 N VAL A 14 -18.847 4.790 6.620 1.00 0.00 N ATOM 171 CA VAL A 14 -20.015 4.772 7.452 1.00 0.00 C ATOM 172 C VAL A 14 -19.863 3.715 8.520 1.00 0.00 C ATOM 173 O VAL A 14 -19.617 2.540 8.220 1.00 0.00 O ATOM 174 CB VAL A 14 -21.302 4.494 6.632 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.533 4.488 7.534 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.464 5.519 5.517 1.00 0.00 C ATOM 0 H VAL A 14 -18.699 3.940 6.076 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.112 5.757 7.909 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.205 3.507 6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.422 4.291 6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.426 3.711 8.291 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.632 5.458 8.021 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.373 5.305 4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.531 6.518 5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.604 5.469 4.849 1.00 0.00 H new ATOM 186 N VAL A 15 -19.994 4.130 9.756 1.00 0.00 N ATOM 187 CA VAL A 15 -19.907 3.227 10.872 1.00 0.00 C ATOM 188 C VAL A 15 -21.277 3.102 11.502 1.00 0.00 C ATOM 189 O VAL A 15 -21.888 4.103 11.875 1.00 0.00 O ATOM 190 CB VAL A 15 -18.898 3.731 11.936 1.00 0.00 C ATOM 191 CG1 VAL A 15 -18.822 2.765 13.101 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.518 3.931 11.327 1.00 0.00 C ATOM 0 H VAL A 15 -20.164 5.102 10.014 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.557 2.261 10.509 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.253 4.694 12.304 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.109 3.137 13.836 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.805 2.674 13.563 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.498 1.788 12.743 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -16.829 4.285 12.094 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.157 2.984 10.924 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.577 4.667 10.525 1.00 0.00 H new ATOM 202 N PHE A 16 -21.756 1.890 11.622 1.00 0.00 N ATOM 203 CA PHE A 16 -23.072 1.658 12.169 1.00 0.00 C ATOM 204 C PHE A 16 -23.064 0.527 13.178 1.00 0.00 C ATOM 205 O PHE A 16 -22.097 -0.236 13.265 1.00 0.00 O ATOM 206 CB PHE A 16 -24.092 1.387 11.046 1.00 0.00 C ATOM 207 CG PHE A 16 -23.745 0.231 10.138 1.00 0.00 C ATOM 208 CD1 PHE A 16 -24.119 -1.066 10.463 1.00 0.00 C ATOM 209 CD2 PHE A 16 -23.061 0.446 8.952 1.00 0.00 C ATOM 210 CE1 PHE A 16 -23.813 -2.121 9.625 1.00 0.00 C ATOM 211 CE2 PHE A 16 -22.751 -0.606 8.113 1.00 0.00 C ATOM 212 CZ PHE A 16 -23.127 -1.890 8.448 1.00 0.00 C ATOM 0 H PHE A 16 -21.254 1.045 11.348 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.375 2.564 12.695 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.066 1.196 11.497 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.192 2.288 10.441 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -24.655 -1.252 11.382 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -22.767 1.449 8.681 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.110 -3.125 9.890 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -22.214 -0.423 7.194 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.886 -2.713 7.792 1.00 0.00 H new ATOM 222 N GLY A 17 -24.139 0.427 13.940 1.00 0.00 N ATOM 223 CA GLY A 17 -24.240 -0.603 14.951 1.00 0.00 C ATOM 224 C GLY A 17 -24.457 -0.027 16.334 1.00 0.00 C ATOM 225 O GLY A 17 -24.690 -0.759 17.290 1.00 0.00 O ATOM 0 H GLY A 17 -24.949 1.044 13.876 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.064 -1.272 14.704 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.330 -1.203 14.948 1.00 0.00 H new ATOM 229 N TYR A 18 -24.387 1.290 16.438 1.00 0.00 N ATOM 230 CA TYR A 18 -24.582 1.963 17.710 1.00 0.00 C ATOM 231 C TYR A 18 -25.554 3.133 17.571 1.00 0.00 C ATOM 232 O TYR A 18 -26.110 3.367 16.505 1.00 0.00 O ATOM 233 CB TYR A 18 -23.243 2.444 18.284 1.00 0.00 C ATOM 234 CG TYR A 18 -22.503 3.436 17.409 1.00 0.00 C ATOM 235 CD1 TYR A 18 -22.801 4.792 17.460 1.00 0.00 C ATOM 236 CD2 TYR A 18 -21.500 3.018 16.545 1.00 0.00 C ATOM 237 CE1 TYR A 18 -22.129 5.700 16.676 1.00 0.00 C ATOM 238 CE2 TYR A 18 -20.823 3.922 15.757 1.00 0.00 C ATOM 239 CZ TYR A 18 -21.139 5.261 15.825 1.00 0.00 C ATOM 240 OH TYR A 18 -20.461 6.163 15.043 1.00 0.00 O ATOM 0 H TYR A 18 -24.196 1.915 15.655 1.00 0.00 H new ATOM 0 HA TYR A 18 -25.016 1.242 18.403 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -23.423 2.901 19.257 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -22.602 1.578 18.452 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -23.575 5.140 18.128 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -21.247 1.969 16.490 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -22.376 6.750 16.727 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -20.047 3.582 15.088 1.00 0.00 H new ATOM 0 HH TYR A 18 -19.795 5.691 14.501 1.00 0.00 H new ATOM 250 N ARG A 19 -25.746 3.851 18.668 1.00 0.00 N ATOM 251 CA ARG A 19 -26.626 5.012 18.704 1.00 0.00 C ATOM 252 C ARG A 19 -25.970 6.126 19.502 1.00 0.00 C ATOM 253 O ARG A 19 -25.014 5.878 20.251 1.00 0.00 O ATOM 254 CB ARG A 19 -27.988 4.667 19.335 1.00 0.00 C ATOM 255 CG ARG A 19 -27.903 4.162 20.777 1.00 0.00 C ATOM 256 CD ARG A 19 -27.632 2.668 20.823 1.00 0.00 C ATOM 257 NE ARG A 19 -27.525 2.164 22.192 1.00 0.00 N ATOM 258 CZ ARG A 19 -27.480 0.866 22.507 1.00 0.00 C ATOM 259 NH1 ARG A 19 -27.626 -0.054 21.557 1.00 0.00 N ATOM 260 NH2 ARG A 19 -27.323 0.491 23.773 1.00 0.00 N ATOM 0 H ARG A 19 -25.296 3.645 19.560 1.00 0.00 H new ATOM 0 HA ARG A 19 -26.797 5.336 17.677 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -28.622 5.553 19.309 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -28.476 3.908 18.724 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -27.111 4.694 21.305 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -28.836 4.381 21.297 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -28.433 2.140 20.306 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -26.709 2.452 20.286 1.00 0.00 H new ATOM 0 HE ARG A 19 -27.482 2.844 22.951 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -27.772 0.231 20.589 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -27.592 -1.045 21.797 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -27.237 1.195 24.506 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -27.289 -0.500 24.011 1.00 0.00 H new ATOM 274 N GLU A 20 -26.477 7.338 19.355 1.00 0.00 N ATOM 275 CA GLU A 20 -25.941 8.476 20.076 1.00 0.00 C ATOM 276 C GLU A 20 -26.369 8.408 21.546 1.00 0.00 C ATOM 277 O GLU A 20 -27.441 8.886 21.925 1.00 0.00 O ATOM 278 CB GLU A 20 -26.381 9.795 19.404 1.00 0.00 C ATOM 279 CG GLU A 20 -25.580 11.035 19.816 1.00 0.00 C ATOM 280 CD GLU A 20 -26.019 11.623 21.135 1.00 0.00 C ATOM 281 OE1 GLU A 20 -27.051 12.334 21.159 1.00 0.00 O ATOM 282 OE2 GLU A 20 -25.345 11.387 22.150 1.00 0.00 O ATOM 0 H GLU A 20 -27.261 7.558 18.741 1.00 0.00 H new ATOM 0 HA GLU A 20 -24.852 8.447 20.045 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -26.306 9.676 18.323 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -27.432 9.968 19.634 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -24.524 10.772 19.878 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -25.675 11.794 19.039 1.00 0.00 H new ATOM 289 N ALA A 21 -25.532 7.747 22.338 1.00 0.00 N ATOM 290 CA ALA A 21 -25.736 7.570 23.777 1.00 0.00 C ATOM 291 C ALA A 21 -24.544 6.827 24.366 1.00 0.00 C ATOM 292 O ALA A 21 -24.143 7.061 25.501 1.00 0.00 O ATOM 293 CB ALA A 21 -27.017 6.795 24.053 1.00 0.00 C ATOM 0 H ALA A 21 -24.677 7.310 21.995 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.826 8.552 24.242 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -27.146 6.677 25.129 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.867 7.340 23.643 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.956 5.813 23.585 1.00 0.00 H new ATOM 299 N ILE A 22 -23.971 5.940 23.558 1.00 0.00 N ATOM 300 CA ILE A 22 -22.805 5.139 23.947 1.00 0.00 C ATOM 301 C ILE A 22 -21.513 5.895 23.664 1.00 0.00 C ATOM 302 O ILE A 22 -20.432 5.298 23.604 1.00 0.00 O ATOM 303 CB ILE A 22 -22.783 3.783 23.174 1.00 0.00 C ATOM 304 CG1 ILE A 22 -22.854 4.010 21.639 1.00 0.00 C ATOM 305 CG2 ILE A 22 -23.933 2.897 23.632 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.520 4.286 20.975 1.00 0.00 C ATOM 0 H ILE A 22 -24.300 5.753 22.611 1.00 0.00 H new ATOM 0 HA ILE A 22 -22.881 4.943 25.016 1.00 0.00 H new ATOM 0 HB ILE A 22 -21.840 3.283 23.396 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -23.299 3.129 21.176 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -23.523 4.847 21.440 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -23.906 1.954 23.085 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -23.838 2.700 24.700 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -24.880 3.401 23.439 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.669 4.431 19.905 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -21.079 5.185 21.405 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -20.851 3.441 21.137 1.00 0.00 H new ATOM 318 N THR A 23 -21.633 7.207 23.533 1.00 0.00 N ATOM 319 CA THR A 23 -20.535 8.058 23.121 1.00 0.00 C ATOM 320 C THR A 23 -19.273 7.840 23.944 1.00 0.00 C ATOM 321 O THR A 23 -18.230 7.596 23.390 1.00 0.00 O ATOM 322 CB THR A 23 -20.941 9.537 23.208 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.192 9.723 22.536 1.00 0.00 O ATOM 324 CG2 THR A 23 -19.880 10.426 22.577 1.00 0.00 C ATOM 0 H THR A 23 -22.501 7.711 23.711 1.00 0.00 H new ATOM 0 HA THR A 23 -20.309 7.786 22.090 1.00 0.00 H new ATOM 0 HB THR A 23 -21.039 9.814 24.258 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.456 10.665 22.591 1.00 0.00 H new ATOM 0 HG21 THR A 23 -20.189 11.469 22.650 1.00 0.00 H new ATOM 0 HG22 THR A 23 -18.933 10.290 23.100 1.00 0.00 H new ATOM 0 HG23 THR A 23 -19.757 10.157 21.528 1.00 0.00 H new ATOM 332 N LYS A 24 -19.394 7.844 25.257 1.00 0.00 N ATOM 333 CA LYS A 24 -18.241 7.737 26.132 1.00 0.00 C ATOM 334 C LYS A 24 -17.426 6.469 25.845 1.00 0.00 C ATOM 335 O LYS A 24 -16.199 6.478 25.937 1.00 0.00 O ATOM 336 CB LYS A 24 -18.700 7.737 27.582 1.00 0.00 C ATOM 337 CG LYS A 24 -19.652 8.874 27.918 1.00 0.00 C ATOM 338 CD LYS A 24 -19.085 10.214 27.502 1.00 0.00 C ATOM 339 CE LYS A 24 -19.974 11.357 27.948 1.00 0.00 C ATOM 340 NZ LYS A 24 -20.079 11.446 29.427 1.00 0.00 N ATOM 0 H LYS A 24 -20.286 7.921 25.745 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.596 8.596 25.945 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -19.190 6.788 27.800 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -17.827 7.801 28.231 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -20.606 8.711 27.418 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.851 8.879 28.990 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.090 10.338 27.930 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -18.972 10.242 26.418 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -19.580 12.295 27.557 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -20.969 11.228 27.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -20.460 12.377 29.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -20.714 10.700 29.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -19.137 11.324 29.850 1.00 0.00 H new ATOM 354 N GLN A 25 -18.114 5.399 25.494 1.00 0.00 N ATOM 355 CA GLN A 25 -17.467 4.124 25.242 1.00 0.00 C ATOM 356 C GLN A 25 -16.744 4.086 23.877 1.00 0.00 C ATOM 357 O GLN A 25 -15.509 4.075 23.822 1.00 0.00 O ATOM 358 CB GLN A 25 -18.488 2.992 25.343 1.00 0.00 C ATOM 359 CG GLN A 25 -19.054 2.801 26.743 1.00 0.00 C ATOM 360 CD GLN A 25 -20.143 1.746 26.798 1.00 0.00 C ATOM 361 OE1 GLN A 25 -20.890 1.557 25.839 1.00 0.00 O ATOM 362 NE2 GLN A 25 -20.247 1.056 27.920 1.00 0.00 N ATOM 0 H GLN A 25 -19.127 5.387 25.376 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.701 3.990 26.006 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.308 3.192 24.653 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.019 2.062 25.020 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.248 2.520 27.421 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.455 3.749 27.100 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -19.609 1.241 28.694 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -20.965 0.338 28.012 1.00 0.00 H new ATOM 371 N ILE A 26 -17.515 4.102 22.779 1.00 0.00 N ATOM 372 CA ILE A 26 -16.937 3.980 21.427 1.00 0.00 C ATOM 373 C ILE A 26 -16.037 5.166 21.059 1.00 0.00 C ATOM 374 O ILE A 26 -15.062 5.007 20.313 1.00 0.00 O ATOM 375 CB ILE A 26 -18.030 3.736 20.327 1.00 0.00 C ATOM 376 CG1 ILE A 26 -18.518 2.280 20.398 1.00 0.00 C ATOM 377 CG2 ILE A 26 -17.505 4.058 18.927 1.00 0.00 C ATOM 378 CD1 ILE A 26 -19.565 1.917 19.363 1.00 0.00 C ATOM 0 H ILE A 26 -18.530 4.197 22.797 1.00 0.00 H new ATOM 0 HA ILE A 26 -16.303 3.094 21.458 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.865 4.408 20.522 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -17.661 1.617 20.278 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -18.928 2.095 21.391 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.290 3.877 18.193 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -17.202 5.104 18.884 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.647 3.423 18.705 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -19.852 0.873 19.486 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -20.441 2.552 19.494 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -19.156 2.066 18.364 1.00 0.00 H new ATOM 390 N LEU A 27 -16.336 6.335 21.604 1.00 0.00 N ATOM 391 CA LEU A 27 -15.532 7.523 21.336 1.00 0.00 C ATOM 392 C LEU A 27 -14.107 7.311 21.774 1.00 0.00 C ATOM 393 O LEU A 27 -13.197 7.621 21.047 1.00 0.00 O ATOM 394 CB LEU A 27 -16.108 8.720 22.068 1.00 0.00 C ATOM 395 CG LEU A 27 -15.291 9.996 22.055 1.00 0.00 C ATOM 396 CD1 LEU A 27 -15.217 10.586 20.659 1.00 0.00 C ATOM 397 CD2 LEU A 27 -15.876 10.985 23.040 1.00 0.00 C ATOM 0 H LEU A 27 -17.125 6.489 22.232 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.550 7.709 20.262 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -17.086 8.940 21.639 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.272 8.434 23.107 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.270 9.763 22.358 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.624 11.501 20.681 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.750 9.868 19.985 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.223 10.814 20.307 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.287 11.902 23.029 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.905 11.212 22.760 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.859 10.555 24.041 1.00 0.00 H new ATOM 409 N ALA A 28 -13.924 6.745 22.954 1.00 0.00 N ATOM 410 CA ALA A 28 -12.589 6.500 23.477 1.00 0.00 C ATOM 411 C ALA A 28 -11.832 5.519 22.592 1.00 0.00 C ATOM 412 O ALA A 28 -10.623 5.646 22.396 1.00 0.00 O ATOM 413 CB ALA A 28 -12.664 5.981 24.902 1.00 0.00 C ATOM 0 H ALA A 28 -14.681 6.446 23.569 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.046 7.445 23.480 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.656 5.803 25.278 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.161 6.718 25.532 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.228 5.049 24.920 1.00 0.00 H new ATOM 419 N TYR A 29 -12.554 4.542 22.064 1.00 0.00 N ATOM 420 CA TYR A 29 -11.966 3.513 21.225 1.00 0.00 C ATOM 421 C TYR A 29 -11.374 4.094 19.923 1.00 0.00 C ATOM 422 O TYR A 29 -10.241 3.786 19.561 1.00 0.00 O ATOM 423 CB TYR A 29 -13.008 2.435 20.900 1.00 0.00 C ATOM 424 CG TYR A 29 -12.447 1.253 20.140 1.00 0.00 C ATOM 425 CD1 TYR A 29 -12.382 1.254 18.755 1.00 0.00 C ATOM 426 CD2 TYR A 29 -11.972 0.138 20.816 1.00 0.00 C ATOM 427 CE1 TYR A 29 -11.866 0.182 18.065 1.00 0.00 C ATOM 428 CE2 TYR A 29 -11.451 -0.939 20.133 1.00 0.00 C ATOM 429 CZ TYR A 29 -11.400 -0.912 18.758 1.00 0.00 C ATOM 430 OH TYR A 29 -10.876 -1.978 18.077 1.00 0.00 O ATOM 0 H TYR A 29 -13.559 4.442 22.205 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.145 3.065 21.785 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -13.452 2.080 21.830 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.811 2.884 20.315 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -12.743 2.112 18.208 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.011 0.114 21.895 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -11.827 0.199 16.986 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.085 -1.799 20.673 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.592 -2.666 18.715 1.00 0.00 H new ATOM 440 N PHE A 30 -12.142 4.935 19.226 1.00 0.00 N ATOM 441 CA PHE A 30 -11.682 5.491 17.944 1.00 0.00 C ATOM 442 C PHE A 30 -11.008 6.858 18.097 1.00 0.00 C ATOM 443 O PHE A 30 -10.432 7.382 17.139 1.00 0.00 O ATOM 444 CB PHE A 30 -12.815 5.564 16.912 1.00 0.00 C ATOM 445 CG PHE A 30 -13.251 4.220 16.383 1.00 0.00 C ATOM 446 CD1 PHE A 30 -12.576 3.627 15.329 1.00 0.00 C ATOM 447 CD2 PHE A 30 -14.334 3.557 16.936 1.00 0.00 C ATOM 448 CE1 PHE A 30 -12.972 2.398 14.835 1.00 0.00 C ATOM 449 CE2 PHE A 30 -14.737 2.326 16.443 1.00 0.00 C ATOM 450 CZ PHE A 30 -14.052 1.745 15.392 1.00 0.00 C ATOM 0 H PHE A 30 -13.069 5.244 19.518 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.927 4.797 17.575 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.673 6.061 17.365 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.492 6.185 16.076 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.729 4.131 14.887 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.870 4.004 17.760 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.435 1.949 14.012 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -15.586 1.821 16.880 1.00 0.00 H new ATOM 0 HZ PHE A 30 -14.361 0.784 15.009 1.00 0.00 H new ATOM 460 N ALA A 31 -11.068 7.431 19.300 1.00 0.00 N ATOM 461 CA ALA A 31 -10.443 8.740 19.575 1.00 0.00 C ATOM 462 C ALA A 31 -8.927 8.672 19.452 1.00 0.00 C ATOM 463 O ALA A 31 -8.235 9.680 19.578 1.00 0.00 O ATOM 464 CB ALA A 31 -10.834 9.263 20.948 1.00 0.00 C ATOM 0 H ALA A 31 -11.541 7.016 20.103 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.816 9.435 18.823 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.357 10.228 21.119 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.917 9.379 20.998 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.509 8.557 21.712 1.00 0.00 H new ATOM 470 N GLN A 32 -8.431 7.471 19.216 1.00 0.00 N ATOM 471 CA GLN A 32 -7.017 7.222 19.025 1.00 0.00 C ATOM 472 C GLN A 32 -6.496 8.037 17.844 1.00 0.00 C ATOM 473 O GLN A 32 -5.362 8.502 17.850 1.00 0.00 O ATOM 474 CB GLN A 32 -6.803 5.735 18.734 1.00 0.00 C ATOM 475 CG GLN A 32 -7.312 4.814 19.829 1.00 0.00 C ATOM 476 CD GLN A 32 -6.550 4.962 21.122 1.00 0.00 C ATOM 477 OE1 GLN A 32 -5.344 5.204 21.119 1.00 0.00 O ATOM 478 NE2 GLN A 32 -7.241 4.825 22.234 1.00 0.00 N ATOM 0 H GLN A 32 -9.007 6.632 19.151 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.479 7.511 19.928 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.303 5.482 17.799 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.739 5.553 18.586 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.367 5.021 20.009 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.243 3.781 19.489 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.240 4.624 22.192 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.777 4.919 23.138 1.00 0.00 H new ATOM 487 N PHE A 33 -7.338 8.186 16.826 1.00 0.00 N ATOM 488 CA PHE A 33 -6.956 8.902 15.616 1.00 0.00 C ATOM 489 C PHE A 33 -8.052 9.868 15.135 1.00 0.00 C ATOM 490 O PHE A 33 -7.953 10.427 14.041 1.00 0.00 O ATOM 491 CB PHE A 33 -6.597 7.909 14.500 1.00 0.00 C ATOM 492 CG PHE A 33 -7.426 6.648 14.513 1.00 0.00 C ATOM 493 CD1 PHE A 33 -8.709 6.639 13.998 1.00 0.00 C ATOM 494 CD2 PHE A 33 -6.913 5.471 15.038 1.00 0.00 C ATOM 495 CE1 PHE A 33 -9.467 5.486 14.005 1.00 0.00 C ATOM 496 CE2 PHE A 33 -7.667 4.313 15.048 1.00 0.00 C ATOM 497 CZ PHE A 33 -8.946 4.321 14.532 1.00 0.00 C ATOM 0 H PHE A 33 -8.290 7.820 16.816 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.081 9.504 15.862 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.719 8.402 13.536 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.544 7.641 14.590 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.124 7.547 13.585 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.912 5.459 15.444 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.467 5.495 13.598 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.255 3.403 15.459 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.539 3.418 14.540 1.00 0.00 H new ATOM 507 N GLY A 34 -9.077 10.077 15.947 1.00 0.00 N ATOM 508 CA GLY A 34 -10.156 10.963 15.541 1.00 0.00 C ATOM 509 C GLY A 34 -11.153 11.222 16.650 1.00 0.00 C ATOM 510 O GLY A 34 -10.852 11.003 17.816 1.00 0.00 O ATOM 0 H GLY A 34 -9.184 9.656 16.870 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.735 11.912 15.209 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.675 10.528 14.687 1.00 0.00 H new ATOM 514 N GLU A 35 -12.330 11.704 16.282 1.00 0.00 N ATOM 515 CA GLU A 35 -13.389 11.991 17.241 1.00 0.00 C ATOM 516 C GLU A 35 -14.730 11.630 16.621 1.00 0.00 C ATOM 517 O GLU A 35 -14.905 11.746 15.407 1.00 0.00 O ATOM 518 CB GLU A 35 -13.350 13.465 17.636 1.00 0.00 C ATOM 519 CG GLU A 35 -14.278 13.843 18.777 1.00 0.00 C ATOM 520 CD GLU A 35 -14.077 15.276 19.231 1.00 0.00 C ATOM 521 OE1 GLU A 35 -14.683 16.189 18.631 1.00 0.00 O ATOM 522 OE2 GLU A 35 -13.307 15.486 20.199 1.00 0.00 O ATOM 0 H GLU A 35 -12.579 11.907 15.314 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.244 11.397 18.143 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.329 13.725 17.915 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.605 14.067 16.764 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.312 13.706 18.462 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.109 13.171 19.618 1.00 0.00 H new ATOM 529 N ILE A 36 -15.668 11.180 17.440 1.00 0.00 N ATOM 530 CA ILE A 36 -16.954 10.734 16.934 1.00 0.00 C ATOM 531 C ILE A 36 -18.100 11.223 17.820 1.00 0.00 C ATOM 532 O ILE A 36 -17.915 11.459 19.011 1.00 0.00 O ATOM 533 CB ILE A 36 -17.023 9.185 16.833 1.00 0.00 C ATOM 534 CG1 ILE A 36 -15.740 8.620 16.222 1.00 0.00 C ATOM 535 CG2 ILE A 36 -18.208 8.785 15.981 1.00 0.00 C ATOM 536 CD1 ILE A 36 -15.739 7.117 16.106 1.00 0.00 C ATOM 0 H ILE A 36 -15.563 11.115 18.452 1.00 0.00 H new ATOM 0 HA ILE A 36 -17.060 11.161 15.937 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.135 8.778 17.838 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.598 9.053 15.232 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.890 8.930 16.830 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.255 7.698 15.911 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.125 9.160 16.435 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.098 9.209 14.983 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -14.799 6.787 15.665 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.850 6.676 17.096 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.568 6.800 15.473 1.00 0.00 H new ATOM 548 N LEU A 37 -19.285 11.366 17.209 1.00 0.00 N ATOM 549 CA LEU A 37 -20.502 11.809 17.893 1.00 0.00 C ATOM 550 C LEU A 37 -20.412 13.284 18.317 1.00 0.00 C ATOM 551 O LEU A 37 -19.447 13.971 17.997 1.00 0.00 O ATOM 552 CB LEU A 37 -20.861 10.888 19.088 1.00 0.00 C ATOM 553 CG LEU A 37 -21.211 9.424 18.729 1.00 0.00 C ATOM 554 CD1 LEU A 37 -20.107 8.470 19.150 1.00 0.00 C ATOM 555 CD2 LEU A 37 -22.530 9.012 19.354 1.00 0.00 C ATOM 0 H LEU A 37 -19.424 11.175 16.217 1.00 0.00 H new ATOM 0 HA LEU A 37 -21.318 11.731 17.175 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.021 10.881 19.782 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -21.708 11.325 19.617 1.00 0.00 H new ATOM 0 HG LEU A 37 -21.309 9.370 17.645 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -20.386 7.451 18.883 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.181 8.738 18.642 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.961 8.536 20.228 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -22.753 7.979 19.086 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -22.462 9.099 20.438 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -23.325 9.661 18.987 1.00 0.00 H new ATOM 567 N GLU A 38 -21.431 13.764 19.016 1.00 0.00 N ATOM 568 CA GLU A 38 -21.493 15.171 19.417 1.00 0.00 C ATOM 569 C GLU A 38 -21.521 15.338 20.937 1.00 0.00 C ATOM 570 O GLU A 38 -22.129 16.281 21.462 1.00 0.00 O ATOM 571 CB GLU A 38 -22.715 15.842 18.784 1.00 0.00 C ATOM 572 CG GLU A 38 -22.459 16.399 17.395 1.00 0.00 C ATOM 573 CD GLU A 38 -21.742 17.739 17.430 1.00 0.00 C ATOM 574 OE1 GLU A 38 -20.715 17.859 18.130 1.00 0.00 O ATOM 575 OE2 GLU A 38 -22.216 18.680 16.754 1.00 0.00 O ATOM 0 H GLU A 38 -22.228 13.204 19.319 1.00 0.00 H new ATOM 0 HA GLU A 38 -20.585 15.656 19.058 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -23.528 15.118 18.731 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -23.050 16.651 19.433 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -21.863 15.686 16.825 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -23.408 16.512 16.871 1.00 0.00 H new ATOM 582 N ASP A 39 -20.862 14.440 21.633 1.00 0.00 N ATOM 583 CA ASP A 39 -20.769 14.507 23.085 1.00 0.00 C ATOM 584 C ASP A 39 -19.397 14.037 23.515 1.00 0.00 C ATOM 585 O ASP A 39 -18.849 13.124 22.924 1.00 0.00 O ATOM 586 CB ASP A 39 -21.860 13.659 23.745 1.00 0.00 C ATOM 587 CG ASP A 39 -21.960 13.914 25.234 1.00 0.00 C ATOM 588 OD1 ASP A 39 -22.463 14.991 25.624 1.00 0.00 O ATOM 589 OD2 ASP A 39 -21.541 13.055 26.021 1.00 0.00 O ATOM 0 H ASP A 39 -20.376 13.645 21.218 1.00 0.00 H new ATOM 0 HA ASP A 39 -20.917 15.539 23.404 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -22.820 13.875 23.276 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -21.652 12.603 23.572 1.00 0.00 H new ATOM 594 N LEU A 40 -18.828 14.674 24.518 1.00 0.00 N ATOM 595 CA LEU A 40 -17.489 14.311 24.963 1.00 0.00 C ATOM 596 C LEU A 40 -17.423 14.176 26.481 1.00 0.00 C ATOM 597 O LEU A 40 -17.435 13.065 27.013 1.00 0.00 O ATOM 598 CB LEU A 40 -16.473 15.352 24.482 1.00 0.00 C ATOM 599 CG LEU A 40 -16.388 15.560 22.964 1.00 0.00 C ATOM 600 CD1 LEU A 40 -15.439 16.684 22.641 1.00 0.00 C ATOM 601 CD2 LEU A 40 -15.941 14.290 22.266 1.00 0.00 C ATOM 0 H LEU A 40 -19.261 15.437 25.038 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.244 13.342 24.529 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -16.715 16.308 24.946 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.487 15.062 24.845 1.00 0.00 H new ATOM 0 HG LEU A 40 -17.384 15.820 22.604 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.389 16.819 21.561 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -15.793 17.604 23.106 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.447 16.443 23.022 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -15.889 14.464 21.191 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -14.957 13.999 22.634 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.655 13.492 22.470 1.00 0.00 H new ATOM 1035 N SER A 67 -18.296 17.602 12.674 1.00 0.00 N ATOM 1036 CA SER A 67 -18.624 18.408 11.512 1.00 0.00 C ATOM 1037 C SER A 67 -18.992 17.536 10.298 1.00 0.00 C ATOM 1038 O SER A 67 -18.857 17.957 9.146 1.00 0.00 O ATOM 1039 CB SER A 67 -17.463 19.367 11.179 1.00 0.00 C ATOM 1040 OG SER A 67 -17.771 20.204 10.072 1.00 0.00 O ATOM 0 HA SER A 67 -19.504 19.003 11.755 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.240 19.983 12.050 1.00 0.00 H new ATOM 0 HB3 SER A 67 -16.566 18.789 10.959 1.00 0.00 H new ATOM 0 HG SER A 67 -18.177 19.668 9.360 1.00 0.00 H new ATOM 1046 N ARG A 68 -19.482 16.342 10.565 1.00 0.00 N ATOM 1047 CA ARG A 68 -19.878 15.429 9.511 1.00 0.00 C ATOM 1048 C ARG A 68 -21.310 14.977 9.721 1.00 0.00 C ATOM 1049 O ARG A 68 -21.814 14.968 10.848 1.00 0.00 O ATOM 1050 CB ARG A 68 -18.936 14.219 9.443 1.00 0.00 C ATOM 1051 CG ARG A 68 -17.491 14.576 9.114 1.00 0.00 C ATOM 1052 CD ARG A 68 -17.359 15.117 7.698 1.00 0.00 C ATOM 1053 NE ARG A 68 -16.010 15.613 7.426 1.00 0.00 N ATOM 1054 CZ ARG A 68 -15.596 16.043 6.227 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -16.401 15.975 5.174 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -14.372 16.532 6.079 1.00 0.00 N ATOM 0 H ARG A 68 -19.616 15.980 11.509 1.00 0.00 H new ATOM 0 HA ARG A 68 -19.811 15.958 8.560 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.962 13.697 10.400 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.308 13.524 8.691 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -17.128 15.319 9.824 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -16.862 13.693 9.227 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -17.607 14.331 6.985 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -18.079 15.922 7.549 1.00 0.00 H new ATOM 0 HE ARG A 68 -15.343 15.633 8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -17.342 15.593 5.275 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.079 16.304 4.264 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.742 16.582 6.880 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.060 16.858 5.164 1.00 0.00 H new ATOM 1070 N GLU A 69 -21.959 14.619 8.635 1.00 0.00 N ATOM 1071 CA GLU A 69 -23.344 14.187 8.660 1.00 0.00 C ATOM 1072 C GLU A 69 -23.474 12.773 9.225 1.00 0.00 C ATOM 1073 O GLU A 69 -22.667 11.895 8.923 1.00 0.00 O ATOM 1074 CB GLU A 69 -23.912 14.246 7.246 1.00 0.00 C ATOM 1075 CG GLU A 69 -25.358 13.813 7.132 1.00 0.00 C ATOM 1076 CD GLU A 69 -25.861 13.893 5.717 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -25.188 13.357 4.812 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -26.926 14.503 5.496 1.00 0.00 O ATOM 0 H GLU A 69 -21.541 14.618 7.704 1.00 0.00 H new ATOM 0 HA GLU A 69 -23.908 14.855 9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -23.821 15.266 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -23.305 13.615 6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -25.460 12.790 7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -25.976 14.442 7.772 1.00 0.00 H new ATOM 1085 N HIS A 70 -24.495 12.562 10.034 1.00 0.00 N ATOM 1086 CA HIS A 70 -24.742 11.264 10.632 1.00 0.00 C ATOM 1087 C HIS A 70 -26.236 11.008 10.738 1.00 0.00 C ATOM 1088 O HIS A 70 -27.047 11.934 10.604 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.080 11.158 12.023 1.00 0.00 C ATOM 1090 CG HIS A 70 -24.568 12.173 13.022 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -23.927 13.369 13.253 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -25.645 12.165 13.843 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -24.587 14.052 14.169 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -25.634 13.346 14.545 1.00 0.00 N ATOM 0 H HIS A 70 -25.172 13.280 10.294 1.00 0.00 H new ATOM 0 HA HIS A 70 -24.299 10.505 9.988 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -24.258 10.159 12.422 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -23.002 11.268 11.908 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -26.377 11.376 13.930 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -24.315 15.026 14.547 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -26.323 13.629 15.242 1.00 0.00 H new ATOM 1102 N GLY A 71 -26.594 9.764 10.970 1.00 0.00 N ATOM 1103 CA GLY A 71 -27.978 9.401 11.110 1.00 0.00 C ATOM 1104 C GLY A 71 -28.316 9.047 12.536 1.00 0.00 C ATOM 1105 O GLY A 71 -27.869 9.713 13.466 1.00 0.00 O ATOM 0 H GLY A 71 -25.939 8.988 11.065 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -28.607 10.228 10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -28.200 8.554 10.461 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.098 7.998 12.714 1.00 0.00 N ATOM 1110 CA ARG A 72 -29.488 7.560 14.049 1.00 0.00 C ATOM 1111 C ARG A 72 -28.678 6.373 14.493 1.00 0.00 C ATOM 1112 O ARG A 72 -28.178 6.334 15.615 1.00 0.00 O ATOM 1113 CB ARG A 72 -30.976 7.228 14.094 1.00 0.00 C ATOM 1114 CG ARG A 72 -31.883 8.421 13.854 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.341 8.012 13.912 1.00 0.00 C ATOM 1116 NE ARG A 72 -34.244 9.136 13.656 1.00 0.00 N ATOM 1117 CZ ARG A 72 -34.801 9.887 14.609 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -34.488 9.692 15.889 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -35.658 10.850 14.277 1.00 0.00 N ATOM 0 H ARG A 72 -29.477 7.432 11.955 1.00 0.00 H new ATOM 0 HA ARG A 72 -29.291 8.382 14.737 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -31.190 6.465 13.345 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -31.212 6.795 15.066 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -31.686 9.189 14.602 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -31.663 8.860 12.881 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -33.525 7.227 13.179 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -33.559 7.590 14.893 1.00 0.00 H new ATOM 0 HE ARG A 72 -34.462 9.360 12.685 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -33.819 8.966 16.146 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -34.917 10.269 16.613 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -35.888 11.013 13.297 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -36.085 11.425 15.003 1.00 0.00 H new ATOM 1133 N THR A 73 -28.547 5.411 13.619 1.00 0.00 N ATOM 1134 CA THR A 73 -27.826 4.211 13.936 1.00 0.00 C ATOM 1135 C THR A 73 -26.533 4.102 13.130 1.00 0.00 C ATOM 1136 O THR A 73 -25.800 3.109 13.233 1.00 0.00 O ATOM 1137 CB THR A 73 -28.701 2.990 13.674 1.00 0.00 C ATOM 1138 OG1 THR A 73 -29.286 3.084 12.360 1.00 0.00 O ATOM 1139 CG2 THR A 73 -29.805 2.874 14.720 1.00 0.00 C ATOM 0 H THR A 73 -28.934 5.437 12.676 1.00 0.00 H new ATOM 0 HA THR A 73 -27.562 4.252 14.993 1.00 0.00 H new ATOM 0 HB THR A 73 -28.075 2.100 13.735 1.00 0.00 H new ATOM 0 HG1 THR A 73 -29.846 2.297 12.194 1.00 0.00 H new ATOM 0 HG21 THR A 73 -30.414 1.995 14.510 1.00 0.00 H new ATOM 0 HG22 THR A 73 -29.359 2.778 15.710 1.00 0.00 H new ATOM 0 HG23 THR A 73 -30.431 3.766 14.688 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.257 5.125 12.336 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.075 5.143 11.496 1.00 0.00 C ATOM 1149 C TRP A 74 -24.421 6.515 11.512 1.00 0.00 C ATOM 1150 O TRP A 74 -25.100 7.540 11.601 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.431 4.729 10.056 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.519 5.557 9.420 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -27.863 5.309 9.454 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -26.355 6.757 8.648 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -28.542 6.280 8.758 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -27.639 7.181 8.255 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -25.245 7.518 8.256 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -27.844 8.326 7.486 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -25.452 8.654 7.498 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -26.741 9.049 7.121 1.00 0.00 C ATOM 0 H TRP A 74 -26.841 5.957 12.257 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.361 4.423 11.896 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.534 4.795 9.440 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -25.741 3.684 10.058 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.324 4.471 9.955 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -29.554 6.323 8.635 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -24.246 7.222 8.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -28.837 8.631 7.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -24.604 9.248 7.191 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -26.868 9.944 6.529 1.00 0.00 H new ATOM 1171 N THR A 75 -23.111 6.526 11.428 1.00 0.00 N ATOM 1172 CA THR A 75 -22.350 7.755 11.421 1.00 0.00 C ATOM 1173 C THR A 75 -21.400 7.786 10.230 1.00 0.00 C ATOM 1174 O THR A 75 -20.623 6.853 10.019 1.00 0.00 O ATOM 1175 CB THR A 75 -21.533 7.893 12.727 1.00 0.00 C ATOM 1176 OG1 THR A 75 -22.410 7.849 13.858 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.738 9.194 12.755 1.00 0.00 C ATOM 0 H THR A 75 -22.542 5.682 11.362 1.00 0.00 H new ATOM 0 HA THR A 75 -23.051 8.586 11.345 1.00 0.00 H new ATOM 0 HB THR A 75 -20.830 7.061 12.768 1.00 0.00 H new ATOM 0 HG1 THR A 75 -22.023 7.272 14.549 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.176 9.257 13.687 1.00 0.00 H new ATOM 0 HG22 THR A 75 -20.047 9.216 11.912 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.422 10.040 12.686 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.474 8.848 9.451 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.578 9.031 8.329 1.00 0.00 C ATOM 1187 C LYS A 76 -19.437 9.939 8.748 1.00 0.00 C ATOM 1188 O LYS A 76 -19.629 11.139 8.953 1.00 0.00 O ATOM 1189 CB LYS A 76 -21.340 9.623 7.135 1.00 0.00 C ATOM 1190 CG LYS A 76 -20.463 10.000 5.947 1.00 0.00 C ATOM 1191 CD LYS A 76 -21.304 10.516 4.786 1.00 0.00 C ATOM 1192 CE LYS A 76 -22.093 11.762 5.172 1.00 0.00 C ATOM 1193 NZ LYS A 76 -22.910 12.280 4.046 1.00 0.00 N ATOM 0 H LYS A 76 -22.151 9.601 9.577 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.170 8.068 8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -22.087 8.902 6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.879 10.510 7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.746 10.764 6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.888 9.132 5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -20.656 10.743 3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -21.992 9.736 4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -22.744 11.531 6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -21.404 12.538 5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -22.539 13.203 3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -22.867 11.612 3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -23.897 12.388 4.354 1.00 0.00 H new ATOM 1207 N LEU A 77 -18.260 9.372 8.886 1.00 0.00 N ATOM 1208 CA LEU A 77 -17.113 10.126 9.346 1.00 0.00 C ATOM 1209 C LEU A 77 -15.926 9.997 8.399 1.00 0.00 C ATOM 1210 O LEU A 77 -15.668 8.933 7.833 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.748 9.729 10.793 1.00 0.00 C ATOM 1212 CG LEU A 77 -16.812 8.229 11.131 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -15.531 7.519 10.751 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.112 8.029 12.604 1.00 0.00 C ATOM 0 H LEU A 77 -18.070 8.390 8.686 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.386 11.181 9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.738 10.082 10.999 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -17.416 10.260 11.471 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.620 7.792 10.545 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.612 6.462 11.004 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.361 7.624 9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -14.696 7.959 11.295 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.154 6.963 12.825 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.327 8.493 13.201 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.071 8.487 12.846 1.00 0.00 H new ATOM 1226 N THR A 78 -15.235 11.102 8.201 1.00 0.00 N ATOM 1227 CA THR A 78 -14.083 11.151 7.329 1.00 0.00 C ATOM 1228 C THR A 78 -12.811 11.392 8.142 1.00 0.00 C ATOM 1229 O THR A 78 -12.735 12.357 8.902 1.00 0.00 O ATOM 1230 CB THR A 78 -14.253 12.280 6.291 1.00 0.00 C ATOM 1231 OG1 THR A 78 -15.501 12.116 5.616 1.00 0.00 O ATOM 1232 CG2 THR A 78 -13.123 12.264 5.270 1.00 0.00 C ATOM 0 H THR A 78 -15.459 11.993 8.643 1.00 0.00 H new ATOM 0 HA THR A 78 -13.999 10.195 6.812 1.00 0.00 H new ATOM 0 HB THR A 78 -14.229 13.235 6.815 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.613 12.833 4.957 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.270 13.071 4.552 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.170 12.402 5.780 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.119 11.308 4.746 1.00 0.00 H new ATOM 1240 N TYR A 79 -11.820 10.518 7.987 1.00 0.00 N ATOM 1241 CA TYR A 79 -10.548 10.676 8.704 1.00 0.00 C ATOM 1242 C TYR A 79 -9.584 11.549 7.910 1.00 0.00 C ATOM 1243 O TYR A 79 -8.512 11.905 8.398 1.00 0.00 O ATOM 1244 CB TYR A 79 -9.899 9.319 8.980 1.00 0.00 C ATOM 1245 CG TYR A 79 -10.709 8.409 9.873 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -10.709 8.579 11.252 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -11.471 7.377 9.340 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -11.445 7.748 12.073 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.208 6.541 10.155 1.00 0.00 C ATOM 1250 CZ TYR A 79 -12.191 6.732 11.522 1.00 0.00 C ATOM 1251 OH TYR A 79 -12.923 5.903 12.338 1.00 0.00 O ATOM 0 H TYR A 79 -11.867 9.700 7.379 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.767 11.160 9.656 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.724 8.814 8.030 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.924 9.483 9.438 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.124 9.374 11.689 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.487 7.226 8.271 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.435 7.895 13.143 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.794 5.742 9.725 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.394 5.239 11.792 1.00 0.00 H new ATOM 1261 N ALA A 80 -9.981 11.877 6.677 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.191 12.725 5.770 1.00 0.00 C ATOM 1263 C ALA A 80 -7.869 12.065 5.365 1.00 0.00 C ATOM 1264 O ALA A 80 -6.977 12.722 4.827 1.00 0.00 O ATOM 1265 CB ALA A 80 -8.948 14.104 6.385 1.00 0.00 C ATOM 0 H ALA A 80 -10.864 11.562 6.275 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.777 12.852 4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.362 14.712 5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.904 14.591 6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.404 13.993 7.323 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.759 10.768 5.609 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.573 10.019 5.242 1.00 0.00 C ATOM 1273 C ASN A 81 -6.950 8.613 4.831 1.00 0.00 C ATOM 1274 O ASN A 81 -8.066 8.156 5.102 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.540 9.993 6.393 1.00 0.00 C ATOM 1276 CG ASN A 81 -6.013 9.296 7.671 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -6.806 8.354 7.640 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -5.509 9.750 8.802 1.00 0.00 N ATOM 0 H ASN A 81 -8.484 10.212 6.063 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.106 10.521 4.394 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.637 9.496 6.039 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.265 11.019 6.637 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.774 9.319 9.688 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.854 10.532 8.791 1.00 0.00 H new ATOM 1285 N HIS A 82 -6.042 7.929 4.171 1.00 0.00 N ATOM 1286 CA HIS A 82 -6.293 6.570 3.747 1.00 0.00 C ATOM 1287 C HIS A 82 -5.774 5.580 4.766 1.00 0.00 C ATOM 1288 O HIS A 82 -6.215 4.436 4.810 1.00 0.00 O ATOM 1289 CB HIS A 82 -5.664 6.302 2.387 1.00 0.00 C ATOM 1290 CG HIS A 82 -6.356 6.998 1.264 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -5.765 7.986 0.509 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -7.602 6.842 0.764 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -6.621 8.406 -0.406 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -7.740 7.727 -0.271 1.00 0.00 N ATOM 0 H HIS A 82 -5.123 8.292 3.916 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.372 6.443 3.662 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -4.620 6.615 2.410 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -5.670 5.229 2.198 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -8.350 6.147 1.116 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.434 9.176 -1.140 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.575 7.842 -0.845 1.00 0.00 H new ATOM 1302 N SER A 83 -4.857 6.034 5.600 1.00 0.00 N ATOM 1303 CA SER A 83 -4.258 5.187 6.612 1.00 0.00 C ATOM 1304 C SER A 83 -5.311 4.653 7.585 1.00 0.00 C ATOM 1305 O SER A 83 -5.340 3.465 7.884 1.00 0.00 O ATOM 1306 CB SER A 83 -3.186 5.967 7.359 1.00 0.00 C ATOM 1307 OG SER A 83 -2.244 6.507 6.447 1.00 0.00 O ATOM 0 H SER A 83 -4.509 6.993 5.595 1.00 0.00 H new ATOM 0 HA SER A 83 -3.802 4.328 6.120 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.646 6.770 7.935 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.680 5.314 8.070 1.00 0.00 H new ATOM 0 HG SER A 83 -1.561 7.008 6.940 1.00 0.00 H new ATOM 1313 N SER A 84 -6.192 5.525 8.046 1.00 0.00 N ATOM 1314 CA SER A 84 -7.229 5.116 8.972 1.00 0.00 C ATOM 1315 C SER A 84 -8.451 4.602 8.218 1.00 0.00 C ATOM 1316 O SER A 84 -9.303 3.926 8.792 1.00 0.00 O ATOM 1317 CB SER A 84 -7.612 6.277 9.895 1.00 0.00 C ATOM 1318 OG SER A 84 -8.594 5.881 10.835 1.00 0.00 O ATOM 0 H SER A 84 -6.209 6.514 7.795 1.00 0.00 H new ATOM 0 HA SER A 84 -6.841 4.303 9.586 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.726 6.636 10.420 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.989 7.109 9.300 1.00 0.00 H new ATOM 0 HG SER A 84 -8.375 6.255 11.714 1.00 0.00 H new ATOM 1324 N TYR A 85 -8.518 4.919 6.927 1.00 0.00 N ATOM 1325 CA TYR A 85 -9.643 4.512 6.080 1.00 0.00 C ATOM 1326 C TYR A 85 -9.758 2.979 6.033 1.00 0.00 C ATOM 1327 O TYR A 85 -10.817 2.420 6.308 1.00 0.00 O ATOM 1328 CB TYR A 85 -9.440 5.086 4.664 1.00 0.00 C ATOM 1329 CG TYR A 85 -10.561 4.823 3.674 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -11.671 5.657 3.622 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -10.497 3.763 2.776 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -12.681 5.445 2.702 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -11.505 3.541 1.859 1.00 0.00 C ATOM 1334 CZ TYR A 85 -12.595 4.388 1.825 1.00 0.00 C ATOM 1335 OH TYR A 85 -13.598 4.181 0.903 1.00 0.00 O ATOM 0 H TYR A 85 -7.803 5.460 6.440 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.571 4.902 6.498 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.300 6.164 4.747 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.517 4.675 4.255 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.746 6.485 4.312 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.643 3.102 2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.534 6.106 2.672 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.441 2.710 1.172 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.385 3.395 0.359 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.653 2.314 5.703 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.619 0.848 5.645 1.00 0.00 C ATOM 1347 C LEU A 86 -8.698 0.222 7.034 1.00 0.00 C ATOM 1348 O LEU A 86 -9.370 -0.790 7.238 1.00 0.00 O ATOM 1349 CB LEU A 86 -7.356 0.343 4.923 1.00 0.00 C ATOM 1350 CG LEU A 86 -7.297 0.546 3.401 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -8.565 0.042 2.730 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -7.026 1.996 3.038 1.00 0.00 C ATOM 0 H LEU A 86 -7.767 2.764 5.471 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.498 0.541 5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.492 0.839 5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.252 -0.723 5.127 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.461 -0.045 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.494 0.199 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.687 -1.022 2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.424 0.587 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.992 2.099 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.821 2.626 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.071 2.305 3.462 1.00 0.00 H new ATOM 1364 N ARG A 87 -8.001 0.831 7.980 1.00 0.00 N ATOM 1365 CA ARG A 87 -7.921 0.318 9.355 1.00 0.00 C ATOM 1366 C ARG A 87 -9.279 0.308 10.061 1.00 0.00 C ATOM 1367 O ARG A 87 -9.585 -0.620 10.813 1.00 0.00 O ATOM 1368 CB ARG A 87 -6.916 1.139 10.171 1.00 0.00 C ATOM 1369 CG ARG A 87 -5.474 1.003 9.702 1.00 0.00 C ATOM 1370 CD ARG A 87 -4.951 -0.409 9.906 1.00 0.00 C ATOM 1371 NE ARG A 87 -4.796 -0.734 11.324 1.00 0.00 N ATOM 1372 CZ ARG A 87 -4.880 -1.971 11.823 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -5.148 -3.000 11.028 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -4.703 -2.177 13.120 1.00 0.00 N ATOM 0 H ARG A 87 -7.474 1.691 7.826 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.584 -0.716 9.287 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.203 2.190 10.129 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.977 0.834 11.216 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.407 1.267 8.647 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.845 1.707 10.247 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.636 -1.120 9.443 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.991 -0.517 9.402 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.612 0.032 11.973 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.291 -2.849 10.029 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.211 -3.941 11.416 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.502 -1.391 13.739 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.767 -3.121 13.500 1.00 0.00 H new ATOM 1388 N ALA A 88 -10.082 1.333 9.821 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.392 1.457 10.464 1.00 0.00 C ATOM 1390 C ALA A 88 -12.365 0.373 10.004 1.00 0.00 C ATOM 1391 O ALA A 88 -13.326 0.071 10.694 1.00 0.00 O ATOM 1392 CB ALA A 88 -11.980 2.834 10.207 1.00 0.00 C ATOM 0 H ALA A 88 -9.853 2.096 9.184 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.239 1.325 11.535 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.953 2.910 10.691 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.313 3.596 10.611 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.096 2.986 9.134 1.00 0.00 H new ATOM 1398 N LEU A 89 -12.077 -0.230 8.857 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.955 -1.227 8.237 1.00 0.00 C ATOM 1400 C LEU A 89 -13.004 -2.553 9.006 1.00 0.00 C ATOM 1401 O LEU A 89 -13.740 -3.467 8.620 1.00 0.00 O ATOM 1402 CB LEU A 89 -12.533 -1.481 6.801 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.577 -0.268 5.872 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -12.191 -0.671 4.471 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -13.956 0.377 5.884 1.00 0.00 C ATOM 0 H LEU A 89 -11.227 -0.044 8.325 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.961 -0.808 8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.517 -1.876 6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.175 -2.257 6.385 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.859 0.468 6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.226 0.202 3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.181 -1.080 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.887 -1.426 4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.961 1.238 5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.699 -0.347 5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.197 0.703 6.896 1.00 0.00 H new ATOM 1417 N ARG A 90 -12.185 -2.675 10.053 1.00 0.00 N ATOM 1418 CA ARG A 90 -12.112 -3.907 10.846 1.00 0.00 C ATOM 1419 C ARG A 90 -13.494 -4.392 11.318 1.00 0.00 C ATOM 1420 O ARG A 90 -14.272 -3.639 11.906 1.00 0.00 O ATOM 1421 CB ARG A 90 -11.184 -3.737 12.061 1.00 0.00 C ATOM 1422 CG ARG A 90 -11.671 -2.734 13.104 1.00 0.00 C ATOM 1423 CD ARG A 90 -10.782 -2.754 14.338 1.00 0.00 C ATOM 1424 NE ARG A 90 -10.911 -4.018 15.075 1.00 0.00 N ATOM 1425 CZ ARG A 90 -10.076 -4.439 16.033 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -9.012 -3.707 16.366 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -10.305 -5.596 16.643 1.00 0.00 N ATOM 0 H ARG A 90 -11.561 -1.934 10.373 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.700 -4.666 10.181 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.057 -4.707 12.542 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.201 -3.425 11.709 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.680 -1.732 12.674 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.697 -2.968 13.387 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.743 -2.609 14.041 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.046 -1.922 14.991 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.698 -4.622 14.838 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.832 -2.823 15.890 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.378 -4.031 17.096 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.114 -6.159 16.381 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.672 -5.921 17.374 1.00 0.00 H new ATOM 1441 N GLU A 91 -13.781 -5.651 11.038 1.00 0.00 N ATOM 1442 CA GLU A 91 -15.018 -6.286 11.467 1.00 0.00 C ATOM 1443 C GLU A 91 -14.681 -7.566 12.226 1.00 0.00 C ATOM 1444 O GLU A 91 -13.980 -7.522 13.231 1.00 0.00 O ATOM 1445 CB GLU A 91 -15.912 -6.611 10.262 1.00 0.00 C ATOM 1446 CG GLU A 91 -16.436 -5.398 9.522 1.00 0.00 C ATOM 1447 CD GLU A 91 -17.269 -5.783 8.325 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -16.684 -6.042 7.251 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -18.513 -5.835 8.445 1.00 0.00 O ATOM 0 H GLU A 91 -13.163 -6.264 10.506 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.563 -5.601 12.116 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -15.348 -7.231 9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.759 -7.206 10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.035 -4.790 10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.598 -4.781 9.197 1.00 0.00 H new ATOM 1456 N HIS A 92 -15.165 -8.702 11.719 1.00 0.00 N ATOM 1457 CA HIS A 92 -14.883 -10.028 12.290 1.00 0.00 C ATOM 1458 C HIS A 92 -15.240 -10.121 13.778 1.00 0.00 C ATOM 1459 O HIS A 92 -16.400 -10.342 14.137 1.00 0.00 O ATOM 1460 CB HIS A 92 -13.407 -10.417 12.074 1.00 0.00 C ATOM 1461 CG HIS A 92 -13.015 -10.599 10.636 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -12.880 -11.835 10.042 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -12.713 -9.692 9.676 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -12.512 -11.677 8.780 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -12.408 -10.389 8.537 1.00 0.00 N ATOM 0 H HIS A 92 -15.767 -8.732 10.896 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.522 -10.734 11.759 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -12.773 -9.648 12.516 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -13.206 -11.343 12.612 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.713 -8.618 9.788 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.329 -12.471 8.071 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.143 -9.975 7.643 1.00 0.00 H new ATOM 1473 N GLY A 93 -14.240 -9.929 14.635 1.00 0.00 N ATOM 1474 CA GLY A 93 -14.443 -10.042 16.060 1.00 0.00 C ATOM 1475 C GLY A 93 -14.605 -8.703 16.730 1.00 0.00 C ATOM 1476 O GLY A 93 -14.625 -8.619 17.962 1.00 0.00 O ATOM 0 H GLY A 93 -13.286 -9.695 14.359 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.328 -10.649 16.250 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.596 -10.566 16.503 1.00 0.00 H new ATOM 1480 N THR A 94 -14.708 -7.651 15.938 1.00 0.00 N ATOM 1481 CA THR A 94 -14.906 -6.325 16.476 1.00 0.00 C ATOM 1482 C THR A 94 -16.350 -6.171 16.955 1.00 0.00 C ATOM 1483 O THR A 94 -17.232 -5.723 16.217 1.00 0.00 O ATOM 1484 CB THR A 94 -14.561 -5.229 15.443 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.241 -5.461 14.924 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.610 -3.846 16.082 1.00 0.00 C ATOM 0 H THR A 94 -14.657 -7.693 14.920 1.00 0.00 H new ATOM 0 HA THR A 94 -14.228 -6.200 17.321 1.00 0.00 H new ATOM 0 HB THR A 94 -15.295 -5.269 14.638 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.270 -6.192 14.272 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.364 -3.091 15.335 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.612 -3.660 16.470 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.890 -3.797 16.899 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.575 -6.594 18.178 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.877 -6.537 18.793 1.00 0.00 C ATOM 1496 C ILE A 95 -17.861 -5.561 19.949 1.00 0.00 C ATOM 1497 O ILE A 95 -17.044 -5.682 20.866 1.00 0.00 O ATOM 1498 CB ILE A 95 -18.320 -7.940 19.289 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -18.516 -8.886 18.097 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -19.593 -7.854 20.127 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -18.728 -10.330 18.491 1.00 0.00 C ATOM 0 H ILE A 95 -15.851 -6.991 18.777 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.593 -6.197 18.045 1.00 0.00 H new ATOM 0 HB ILE A 95 -17.532 -8.340 19.927 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -19.373 -8.549 17.515 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.644 -8.821 17.447 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -19.878 -8.852 20.460 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -19.415 -7.219 20.995 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -20.397 -7.429 19.526 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -18.859 -10.936 17.595 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -17.861 -10.687 19.047 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -19.617 -10.410 19.116 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.751 -4.601 19.896 1.00 0.00 N ATOM 1514 CA TYR A 96 -18.846 -3.594 20.914 1.00 0.00 C ATOM 1515 C TYR A 96 -20.274 -3.535 21.424 1.00 0.00 C ATOM 1516 O TYR A 96 -21.214 -3.577 20.633 1.00 0.00 O ATOM 1517 CB TYR A 96 -18.444 -2.241 20.344 1.00 0.00 C ATOM 1518 CG TYR A 96 -17.830 -1.333 21.363 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -18.610 -0.656 22.287 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -16.456 -1.180 21.421 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -18.037 0.155 23.239 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -15.869 -0.379 22.371 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.660 0.290 23.277 1.00 0.00 C ATOM 1524 OH TYR A 96 -16.072 1.082 24.232 1.00 0.00 O ATOM 0 H TYR A 96 -19.430 -4.499 19.142 1.00 0.00 H new ATOM 0 HA TYR A 96 -18.175 -3.842 21.736 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -17.737 -2.393 19.528 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -19.323 -1.757 19.918 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -19.684 -0.767 22.259 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -15.834 -1.699 20.707 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -18.656 0.682 23.950 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.795 -0.275 22.406 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.099 1.065 24.117 1.00 0.00 H new ATOM 1534 N CYS A 97 -20.436 -3.475 22.743 1.00 0.00 N ATOM 1535 CA CYS A 97 -21.764 -3.398 23.362 1.00 0.00 C ATOM 1536 C CYS A 97 -22.590 -4.663 23.048 1.00 0.00 C ATOM 1537 O CYS A 97 -23.814 -4.671 23.166 1.00 0.00 O ATOM 1538 CB CYS A 97 -22.496 -2.122 22.879 1.00 0.00 C ATOM 1539 SG CYS A 97 -24.046 -1.750 23.738 1.00 0.00 S ATOM 0 H CYS A 97 -19.664 -3.478 23.409 1.00 0.00 H new ATOM 0 HA CYS A 97 -21.645 -3.342 24.444 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -21.823 -1.272 22.992 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -22.705 -2.223 21.814 1.00 0.00 H new ATOM 0 HG CYS A 97 -24.709 -2.851 23.933 1.00 0.00 H new ATOM 1545 N GLY A 98 -21.906 -5.736 22.669 1.00 0.00 N ATOM 1546 CA GLY A 98 -22.589 -6.977 22.351 1.00 0.00 C ATOM 1547 C GLY A 98 -23.037 -7.057 20.900 1.00 0.00 C ATOM 1548 O GLY A 98 -23.854 -7.905 20.547 1.00 0.00 O ATOM 0 H GLY A 98 -20.891 -5.769 22.576 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -21.926 -7.815 22.567 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -23.459 -7.083 23.000 1.00 0.00 H new ATOM 1552 N ALA A 99 -22.520 -6.173 20.063 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.852 -6.182 18.644 1.00 0.00 C ATOM 1554 C ALA A 99 -21.626 -5.869 17.805 1.00 0.00 C ATOM 1555 O ALA A 99 -20.755 -5.119 18.231 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.950 -5.183 18.352 1.00 0.00 C ATOM 0 H ALA A 99 -21.868 -5.439 20.340 1.00 0.00 H new ATOM 0 HA ALA A 99 -23.206 -7.179 18.383 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -24.186 -5.202 17.288 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.840 -5.442 18.926 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.616 -4.184 18.632 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.547 -6.456 16.630 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.433 -6.206 15.735 1.00 0.00 C ATOM 1564 C ALA A 100 -20.526 -4.801 15.162 1.00 0.00 C ATOM 1565 O ALA A 100 -21.616 -4.338 14.813 1.00 0.00 O ATOM 1566 CB ALA A 100 -20.407 -7.235 14.615 1.00 0.00 C ATOM 0 H ALA A 100 -22.241 -7.111 16.270 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.506 -6.292 16.302 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.565 -7.032 13.954 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -20.302 -8.233 15.040 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -21.336 -7.179 14.047 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.396 -4.127 15.073 1.00 0.00 N ATOM 1573 CA ILE A 101 -19.371 -2.790 14.525 1.00 0.00 C ATOM 1574 C ILE A 101 -19.280 -2.869 13.012 1.00 0.00 C ATOM 1575 O ILE A 101 -18.418 -3.564 12.468 1.00 0.00 O ATOM 1576 CB ILE A 101 -18.180 -1.957 15.056 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -18.212 -1.854 16.578 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -18.184 -0.563 14.450 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -17.070 -1.028 17.139 1.00 0.00 C ATOM 0 H ILE A 101 -18.488 -4.483 15.372 1.00 0.00 H new ATOM 0 HA ILE A 101 -20.290 -2.293 14.836 1.00 0.00 H new ATOM 0 HB ILE A 101 -17.265 -2.471 14.761 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -19.159 -1.412 16.887 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -18.173 -2.856 17.006 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -17.338 0.005 14.838 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -18.105 -0.638 13.365 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.112 -0.055 14.712 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -17.147 -0.991 18.226 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -16.120 -1.482 16.858 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.121 -0.016 16.737 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.166 -2.179 12.342 1.00 0.00 N ATOM 1592 CA GLY A 102 -20.171 -2.208 10.909 1.00 0.00 C ATOM 1593 C GLY A 102 -19.505 -1.002 10.311 1.00 0.00 C ATOM 1594 O GLY A 102 -20.105 0.067 10.231 1.00 0.00 O ATOM 0 H GLY A 102 -20.887 -1.595 12.765 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -19.663 -3.109 10.565 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.200 -2.266 10.553 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.265 -1.163 9.907 1.00 0.00 N ATOM 1599 CA CYS A 103 -17.524 -0.093 9.274 1.00 0.00 C ATOM 1600 C CYS A 103 -17.285 -0.422 7.816 1.00 0.00 C ATOM 1601 O CYS A 103 -16.519 -1.337 7.490 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.196 0.130 9.977 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.328 0.439 11.750 1.00 0.00 S ATOM 0 H CYS A 103 -17.743 -2.034 10.007 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.112 0.822 9.345 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -15.565 -0.745 9.820 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -15.690 0.976 9.511 1.00 0.00 H new ATOM 0 HG CYS A 103 -16.274 -0.690 12.392 1.00 0.00 H new ATOM 1609 N VAL A 104 -17.948 0.303 6.942 1.00 0.00 N ATOM 1610 CA VAL A 104 -17.819 0.096 5.512 1.00 0.00 C ATOM 1611 C VAL A 104 -17.712 1.440 4.797 1.00 0.00 C ATOM 1612 O VAL A 104 -18.103 2.470 5.351 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.033 -0.696 4.936 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -19.112 -2.092 5.531 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.331 0.054 5.181 1.00 0.00 C ATOM 0 H VAL A 104 -18.591 1.052 7.199 1.00 0.00 H new ATOM 0 HA VAL A 104 -16.915 -0.489 5.344 1.00 0.00 H new ATOM 0 HB VAL A 104 -18.884 -0.793 3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -19.968 -2.619 5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.199 -2.639 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -19.226 -2.021 6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.164 -0.517 4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.476 0.189 6.253 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.285 1.029 4.695 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.159 1.460 3.574 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.072 2.683 2.773 1.00 0.00 C ATOM 1627 C PRO A 105 -18.465 3.218 2.433 1.00 0.00 C ATOM 1628 O PRO A 105 -19.433 2.450 2.376 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.335 2.231 1.500 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.515 0.751 1.456 1.00 0.00 C ATOM 1631 CD PRO A 105 -16.557 0.305 2.883 1.00 0.00 C ATOM 0 HA PRO A 105 -16.562 3.493 3.295 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -16.753 2.706 0.612 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.279 2.499 1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.435 0.484 0.935 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -15.695 0.273 0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -17.157 -0.597 3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.561 0.080 3.265 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.568 4.527 2.223 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.854 5.159 1.938 1.00 0.00 C ATOM 1641 C TYR A 106 -20.530 4.535 0.715 1.00 0.00 C ATOM 1642 O TYR A 106 -19.926 4.417 -0.360 1.00 0.00 O ATOM 1643 CB TYR A 106 -19.674 6.668 1.728 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.962 7.409 1.429 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.810 7.808 2.453 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -21.327 7.711 0.121 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -22.983 8.485 2.188 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -22.500 8.389 -0.155 1.00 0.00 C ATOM 1649 CZ TYR A 106 -23.326 8.773 0.879 1.00 0.00 C ATOM 1650 OH TYR A 106 -24.492 9.457 0.606 1.00 0.00 O ATOM 0 H TYR A 106 -17.777 5.171 2.245 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.500 4.992 2.800 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.220 7.097 2.621 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.976 6.829 0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.547 7.584 3.476 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.683 7.411 -0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.630 8.788 2.998 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -22.768 8.617 -1.176 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.581 9.578 -0.362 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.780 4.132 0.900 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.580 3.525 -0.153 1.00 0.00 C ATOM 1662 C LYS A 107 -23.959 4.175 -0.155 1.00 0.00 C ATOM 1663 O LYS A 107 -24.534 4.402 0.910 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.731 2.022 0.115 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.424 1.250 0.101 1.00 0.00 C ATOM 1666 CD LYS A 107 -21.647 -0.215 0.426 1.00 0.00 C ATOM 1667 CE LYS A 107 -20.329 -0.965 0.570 1.00 0.00 C ATOM 1668 NZ LYS A 107 -19.566 -1.028 -0.703 1.00 0.00 N ATOM 0 H LYS A 107 -22.270 4.218 1.791 1.00 0.00 H new ATOM 0 HA LYS A 107 -22.093 3.671 -1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -23.210 1.884 1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.399 1.597 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -20.956 1.340 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.734 1.685 0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -22.218 -0.300 1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -22.244 -0.676 -0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -19.719 -0.478 1.331 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -20.528 -1.978 0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -18.703 -1.592 -0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -20.153 -1.471 -1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -19.307 -0.066 -1.000 1.00 0.00 H new ATOM 1682 N HIS A 108 -24.493 4.468 -1.332 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.800 5.107 -1.419 1.00 0.00 C ATOM 1684 C HIS A 108 -26.911 4.158 -0.948 1.00 0.00 C ATOM 1685 O HIS A 108 -27.825 4.564 -0.228 1.00 0.00 O ATOM 1686 CB HIS A 108 -26.079 5.629 -2.849 1.00 0.00 C ATOM 1687 CG HIS A 108 -26.305 4.562 -3.887 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -25.280 3.873 -4.490 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -27.450 4.070 -4.422 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -25.780 3.002 -5.349 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -27.093 3.103 -5.325 1.00 0.00 N ATOM 0 H HIS A 108 -24.049 4.277 -2.230 1.00 0.00 H new ATOM 0 HA HIS A 108 -25.791 5.969 -0.751 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -26.956 6.275 -2.818 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -25.238 6.247 -3.163 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -28.456 4.382 -4.181 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -25.209 2.323 -5.965 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -27.740 2.551 -5.888 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.802 2.888 -1.334 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.800 1.887 -0.973 1.00 0.00 C ATOM 1701 C GLU A 109 -27.797 1.639 0.531 1.00 0.00 C ATOM 1702 O GLU A 109 -28.846 1.447 1.143 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.546 0.579 -1.725 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.617 -0.482 -1.501 1.00 0.00 C ATOM 1705 CD GLU A 109 -28.336 -1.760 -2.253 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -27.565 -2.601 -1.742 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -28.869 -1.925 -3.376 1.00 0.00 O ATOM 0 H GLU A 109 -26.031 2.529 -1.897 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.780 2.268 -1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.478 0.792 -2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.581 0.177 -1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.689 -0.700 -0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.584 -0.087 -1.812 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.614 1.702 1.124 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.447 1.445 2.546 1.00 0.00 C ATOM 1716 C LEU A 110 -27.269 2.423 3.373 1.00 0.00 C ATOM 1717 O LEU A 110 -27.925 2.035 4.338 1.00 0.00 O ATOM 1718 CB LEU A 110 -24.975 1.578 2.924 1.00 0.00 C ATOM 1719 CG LEU A 110 -24.642 1.354 4.396 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -24.817 -0.111 4.771 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -23.236 1.832 4.700 1.00 0.00 C ATOM 0 H LEU A 110 -25.748 1.931 0.636 1.00 0.00 H new ATOM 0 HA LEU A 110 -26.793 0.433 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -24.402 0.867 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.636 2.575 2.642 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.336 1.938 5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -24.574 -0.248 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -25.850 -0.411 4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -24.152 -0.724 4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.015 1.665 5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -22.523 1.279 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.157 2.896 4.477 1.00 0.00 H new ATOM 1733 N ILE A 111 -27.248 3.685 2.973 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.974 4.718 3.685 1.00 0.00 C ATOM 1735 C ILE A 111 -29.473 4.425 3.678 1.00 0.00 C ATOM 1736 O ILE A 111 -30.130 4.470 4.720 1.00 0.00 O ATOM 1737 CB ILE A 111 -27.729 6.113 3.050 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -26.222 6.414 2.969 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -28.457 7.203 3.831 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -25.516 6.430 4.313 1.00 0.00 C ATOM 0 H ILE A 111 -26.734 4.016 2.157 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.608 4.725 4.712 1.00 0.00 H new ATOM 0 HB ILE A 111 -28.131 6.100 2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -25.748 5.668 2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -26.082 7.381 2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -28.269 8.171 3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -29.528 7.000 3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -28.094 7.218 4.859 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -24.458 6.649 4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.961 7.196 4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.621 5.456 4.791 1.00 0.00 H new ATOM 1752 N SER A 112 -29.999 4.093 2.512 1.00 0.00 N ATOM 1753 CA SER A 112 -31.418 3.819 2.365 1.00 0.00 C ATOM 1754 C SER A 112 -31.869 2.575 3.141 1.00 0.00 C ATOM 1755 O SER A 112 -32.943 2.577 3.746 1.00 0.00 O ATOM 1756 CB SER A 112 -31.789 3.714 0.885 1.00 0.00 C ATOM 1757 OG SER A 112 -30.858 2.909 0.166 1.00 0.00 O ATOM 0 H SER A 112 -29.462 4.006 1.649 1.00 0.00 H new ATOM 0 HA SER A 112 -31.954 4.660 2.804 1.00 0.00 H new ATOM 0 HB2 SER A 112 -32.788 3.289 0.789 1.00 0.00 H new ATOM 0 HB3 SER A 112 -31.823 4.711 0.446 1.00 0.00 H new ATOM 0 HG SER A 112 -30.370 2.335 0.792 1.00 0.00 H new ATOM 1763 N GLU A 113 -31.045 1.532 3.143 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.402 0.283 3.816 1.00 0.00 C ATOM 1765 C GLU A 113 -31.564 0.500 5.329 1.00 0.00 C ATOM 1766 O GLU A 113 -32.578 0.110 5.922 1.00 0.00 O ATOM 1767 CB GLU A 113 -30.345 -0.795 3.550 1.00 0.00 C ATOM 1768 CG GLU A 113 -30.136 -1.111 2.072 1.00 0.00 C ATOM 1769 CD GLU A 113 -31.389 -1.599 1.379 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -31.928 -2.645 1.788 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -31.842 -0.931 0.420 1.00 0.00 O ATOM 0 H GLU A 113 -30.131 1.524 2.690 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.357 -0.053 3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -29.396 -0.472 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -30.635 -1.709 4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -29.774 -0.217 1.565 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -29.358 -1.869 1.977 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.568 1.136 5.941 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.589 1.430 7.369 1.00 0.00 C ATOM 1780 C LEU A 114 -31.707 2.395 7.747 1.00 0.00 C ATOM 1781 O LEU A 114 -32.326 2.257 8.802 1.00 0.00 O ATOM 1782 CB LEU A 114 -29.239 1.972 7.838 1.00 0.00 C ATOM 1783 CG LEU A 114 -28.166 0.918 8.116 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -27.705 0.237 6.839 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -26.993 1.525 8.861 1.00 0.00 C ATOM 0 H LEU A 114 -29.728 1.460 5.462 1.00 0.00 H new ATOM 0 HA LEU A 114 -30.786 0.487 7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -28.861 2.659 7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -29.396 2.553 8.747 1.00 0.00 H new ATOM 0 HG LEU A 114 -28.614 0.153 8.750 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -26.943 -0.505 7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -28.553 -0.254 6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -27.288 0.981 6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -26.243 0.756 9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -26.554 2.322 8.261 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -27.337 1.934 9.811 1.00 0.00 H new ATOM 1797 N SER A 115 -31.970 3.365 6.882 1.00 0.00 N ATOM 1798 CA SER A 115 -32.992 4.377 7.148 1.00 0.00 C ATOM 1799 C SER A 115 -34.404 3.769 7.218 1.00 0.00 C ATOM 1800 O SER A 115 -35.337 4.410 7.697 1.00 0.00 O ATOM 1801 CB SER A 115 -32.936 5.477 6.091 1.00 0.00 C ATOM 1802 OG SER A 115 -31.672 6.120 6.097 1.00 0.00 O ATOM 0 H SER A 115 -31.491 3.475 5.988 1.00 0.00 H new ATOM 0 HA SER A 115 -32.777 4.809 8.125 1.00 0.00 H new ATOM 0 HB2 SER A 115 -33.127 5.051 5.106 1.00 0.00 H new ATOM 0 HB3 SER A 115 -33.722 6.209 6.280 1.00 0.00 H new ATOM 0 HG SER A 115 -31.094 5.712 5.419 1.00 0.00 H new