USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 622 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 TYR OH : rot 1:sc= -0.639 USER MOD Set 1.2: A 70 HIS : no HD1:sc= -1.88 K(o=-2.1,f=0.3) USER MOD Set 1.3: A 75 THR OG1 : rot 138:sc= 0.387 USER MOD Single : A 11 ASN : amide:sc= -0.0566 K(o=-0.057,f=0.89) USER MOD Single : A 23 THR OG1 : rot 130:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -104:sc= -0.142! (180deg=-1.16!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0603 K(o=-0.06,f=-0.75) USER MOD Single : A 67 SER OG : rot -43:sc= 0.708 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00206 USER MOD Single : A 76 LYS NZ :NH3+ 154:sc=0.000471 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 79 TYR OH : rot -153:sc= -1.67! USER MOD Single : A 81 ASN : amide:sc= 0.0306 X(o=0.031,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -170:sc= 0.0762 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 90:sc= -2! USER MOD Single : A 97 CYS SG : rot -41:sc= -0.131 USER MOD Single : A 103 CYS SG : rot 163:sc= -4.35! 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= -0.0244 X(o=-0.024,f=-0.22) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 77:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -12.734 7.073 0.951 1.00 0.00 N ATOM 131 CA ASN A 11 -12.042 7.500 2.155 1.00 0.00 C ATOM 132 C ASN A 11 -13.037 7.721 3.291 1.00 0.00 C ATOM 133 O ASN A 11 -12.706 8.309 4.327 1.00 0.00 O ATOM 134 CB ASN A 11 -11.243 8.788 1.880 1.00 0.00 C ATOM 135 CG ASN A 11 -12.117 9.963 1.444 1.00 0.00 C ATOM 136 OD1 ASN A 11 -13.188 9.783 0.862 1.00 0.00 O ATOM 137 ND2 ASN A 11 -11.652 11.169 1.704 1.00 0.00 N ATOM 0 HA ASN A 11 -11.347 6.716 2.455 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.696 9.066 2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.502 8.589 1.106 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.183 11.992 1.421 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.761 11.279 2.188 1.00 0.00 H new ATOM 144 N ALA A 12 -14.253 7.241 3.088 1.00 0.00 N ATOM 145 CA ALA A 12 -15.301 7.350 4.077 1.00 0.00 C ATOM 146 C ALA A 12 -15.898 5.978 4.340 1.00 0.00 C ATOM 147 O ALA A 12 -16.043 5.170 3.418 1.00 0.00 O ATOM 148 CB ALA A 12 -16.378 8.320 3.609 1.00 0.00 C ATOM 0 H ALA A 12 -14.537 6.766 2.231 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.877 7.737 5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.159 8.390 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.937 9.304 3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.810 7.961 2.675 1.00 0.00 H new ATOM 154 N VAL A 13 -16.242 5.712 5.586 1.00 0.00 N ATOM 155 CA VAL A 13 -16.788 4.419 5.960 1.00 0.00 C ATOM 156 C VAL A 13 -18.144 4.564 6.623 1.00 0.00 C ATOM 157 O VAL A 13 -18.484 5.630 7.148 1.00 0.00 O ATOM 158 CB VAL A 13 -15.846 3.652 6.927 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.522 3.335 6.260 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.616 4.449 8.210 1.00 0.00 C ATOM 0 H VAL A 13 -16.153 6.374 6.357 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.890 3.852 5.035 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.332 2.712 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.882 2.798 6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.697 2.716 5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.034 4.263 5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.953 3.891 8.871 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.161 5.409 7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.570 4.617 8.710 1.00 0.00 H new ATOM 170 N VAL A 14 -18.917 3.502 6.581 1.00 0.00 N ATOM 171 CA VAL A 14 -20.208 3.472 7.227 1.00 0.00 C ATOM 172 C VAL A 14 -20.148 2.508 8.396 1.00 0.00 C ATOM 173 O VAL A 14 -19.957 1.306 8.205 1.00 0.00 O ATOM 174 CB VAL A 14 -21.321 3.015 6.253 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.684 3.051 6.935 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.325 3.871 4.992 1.00 0.00 C ATOM 0 H VAL A 14 -18.669 2.638 6.099 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.446 4.480 7.566 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.113 1.985 5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.451 2.726 6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.677 2.385 7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.900 4.068 7.263 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.116 3.530 4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.500 4.913 5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.362 3.783 4.489 1.00 0.00 H new ATOM 186 N VAL A 15 -20.296 3.026 9.600 1.00 0.00 N ATOM 187 CA VAL A 15 -20.224 2.193 10.781 1.00 0.00 C ATOM 188 C VAL A 15 -21.561 2.182 11.497 1.00 0.00 C ATOM 189 O VAL A 15 -22.155 3.233 11.747 1.00 0.00 O ATOM 190 CB VAL A 15 -19.119 2.666 11.758 1.00 0.00 C ATOM 191 CG1 VAL A 15 -19.001 1.716 12.942 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.786 2.793 11.042 1.00 0.00 C ATOM 0 H VAL A 15 -20.466 4.015 9.784 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.973 1.185 10.450 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.400 3.649 12.135 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.219 2.068 13.615 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.950 1.681 13.476 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.749 0.718 12.584 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.025 3.126 11.747 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.500 1.825 10.630 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.875 3.519 10.234 1.00 0.00 H new ATOM 202 N PHE A 16 -22.030 0.998 11.814 1.00 0.00 N ATOM 203 CA PHE A 16 -23.312 0.826 12.466 1.00 0.00 C ATOM 204 C PHE A 16 -23.266 -0.336 13.449 1.00 0.00 C ATOM 205 O PHE A 16 -22.429 -1.232 13.326 1.00 0.00 O ATOM 206 CB PHE A 16 -24.414 0.606 11.412 1.00 0.00 C ATOM 207 CG PHE A 16 -24.133 -0.532 10.458 1.00 0.00 C ATOM 208 CD1 PHE A 16 -24.550 -1.821 10.745 1.00 0.00 C ATOM 209 CD2 PHE A 16 -23.446 -0.303 9.274 1.00 0.00 C ATOM 210 CE1 PHE A 16 -24.287 -2.859 9.870 1.00 0.00 C ATOM 211 CE2 PHE A 16 -23.183 -1.336 8.397 1.00 0.00 C ATOM 212 CZ PHE A 16 -23.602 -2.616 8.696 1.00 0.00 C ATOM 0 H PHE A 16 -21.536 0.125 11.628 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.542 1.731 13.028 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.358 0.414 11.922 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.543 1.524 10.839 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -25.086 -2.018 11.662 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.113 0.696 9.036 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.617 -3.860 10.105 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -22.650 -1.142 7.478 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.395 -3.427 8.013 1.00 0.00 H new ATOM 222 N GLY A 17 -24.148 -0.311 14.431 1.00 0.00 N ATOM 223 CA GLY A 17 -24.192 -1.387 15.405 1.00 0.00 C ATOM 224 C GLY A 17 -24.231 -0.878 16.826 1.00 0.00 C ATOM 225 O GLY A 17 -24.671 -1.583 17.733 1.00 0.00 O ATOM 0 H GLY A 17 -24.834 0.430 14.575 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.070 -2.005 15.219 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.319 -2.026 15.275 1.00 0.00 H new ATOM 229 N TYR A 18 -23.785 0.347 17.024 1.00 0.00 N ATOM 230 CA TYR A 18 -23.782 0.940 18.349 1.00 0.00 C ATOM 231 C TYR A 18 -24.968 1.862 18.527 1.00 0.00 C ATOM 232 O TYR A 18 -25.467 2.440 17.567 1.00 0.00 O ATOM 233 CB TYR A 18 -22.461 1.654 18.639 1.00 0.00 C ATOM 234 CG TYR A 18 -22.042 2.678 17.614 1.00 0.00 C ATOM 235 CD1 TYR A 18 -21.293 2.303 16.510 1.00 0.00 C ATOM 236 CD2 TYR A 18 -22.378 4.019 17.756 1.00 0.00 C ATOM 237 CE1 TYR A 18 -20.895 3.227 15.576 1.00 0.00 C ATOM 238 CE2 TYR A 18 -21.976 4.952 16.820 1.00 0.00 C ATOM 239 CZ TYR A 18 -21.235 4.545 15.734 1.00 0.00 C ATOM 240 OH TYR A 18 -20.826 5.459 14.807 1.00 0.00 O ATOM 0 H TYR A 18 -23.421 0.951 16.287 1.00 0.00 H new ATOM 0 HA TYR A 18 -23.876 0.135 19.078 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -22.538 2.146 19.609 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -21.673 0.905 18.723 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -21.018 1.266 16.382 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -22.961 4.336 18.609 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -20.316 2.916 14.719 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -22.241 5.992 16.939 1.00 0.00 H new ATOM 0 HH TYR A 18 -20.321 5.005 14.100 1.00 0.00 H new ATOM 250 N ARG A 19 -25.417 1.977 19.761 1.00 0.00 N ATOM 251 CA ARG A 19 -26.613 2.732 20.090 1.00 0.00 C ATOM 252 C ARG A 19 -26.407 4.250 20.026 1.00 0.00 C ATOM 253 O ARG A 19 -26.700 4.877 19.014 1.00 0.00 O ATOM 254 CB ARG A 19 -27.109 2.301 21.471 1.00 0.00 C ATOM 255 CG ARG A 19 -28.282 3.096 22.019 1.00 0.00 C ATOM 256 CD ARG A 19 -28.714 2.542 23.362 1.00 0.00 C ATOM 257 NE ARG A 19 -29.787 3.316 23.971 1.00 0.00 N ATOM 258 CZ ARG A 19 -30.156 3.200 25.250 1.00 0.00 C ATOM 259 NH1 ARG A 19 -29.575 2.296 26.033 1.00 0.00 N ATOM 260 NH2 ARG A 19 -31.114 3.974 25.738 1.00 0.00 N ATOM 0 H ARG A 19 -24.962 1.549 20.567 1.00 0.00 H new ATOM 0 HA ARG A 19 -27.367 2.508 19.335 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -27.394 1.250 21.424 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -26.281 2.375 22.176 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -28.002 4.144 22.124 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -29.115 3.057 21.317 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -29.042 1.510 23.236 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -27.857 2.524 24.036 1.00 0.00 H new ATOM 0 HE ARG A 19 -30.286 3.986 23.387 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -28.846 1.689 25.658 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -29.858 2.209 27.009 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -31.571 4.660 25.137 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -31.394 3.884 26.715 1.00 0.00 H new ATOM 274 N GLU A 20 -25.878 4.820 21.105 1.00 0.00 N ATOM 275 CA GLU A 20 -25.729 6.273 21.226 1.00 0.00 C ATOM 276 C GLU A 20 -25.099 6.608 22.569 1.00 0.00 C ATOM 277 O GLU A 20 -24.080 7.280 22.646 1.00 0.00 O ATOM 278 CB GLU A 20 -27.116 6.937 21.153 1.00 0.00 C ATOM 279 CG GLU A 20 -27.113 8.459 21.232 1.00 0.00 C ATOM 280 CD GLU A 20 -26.594 9.114 19.970 1.00 0.00 C ATOM 281 OE1 GLU A 20 -27.329 9.106 18.953 1.00 0.00 O ATOM 282 OE2 GLU A 20 -25.477 9.666 19.998 1.00 0.00 O ATOM 0 H GLU A 20 -25.543 4.297 21.914 1.00 0.00 H new ATOM 0 HA GLU A 20 -25.097 6.638 20.417 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -27.595 6.639 20.220 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -27.730 6.548 21.965 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -28.127 8.810 21.427 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -26.500 8.773 22.077 1.00 0.00 H new ATOM 289 N ALA A 21 -25.707 6.075 23.629 1.00 0.00 N ATOM 290 CA ALA A 21 -25.281 6.336 25.006 1.00 0.00 C ATOM 291 C ALA A 21 -23.916 5.721 25.329 1.00 0.00 C ATOM 292 O ALA A 21 -23.421 5.855 26.443 1.00 0.00 O ATOM 293 CB ALA A 21 -26.335 5.830 25.981 1.00 0.00 C ATOM 0 H ALA A 21 -26.510 5.449 23.558 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.172 7.415 25.111 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.011 6.028 27.003 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.279 6.342 25.794 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.471 4.757 25.845 1.00 0.00 H new ATOM 299 N ILE A 22 -23.313 5.062 24.355 1.00 0.00 N ATOM 300 CA ILE A 22 -21.995 4.449 24.539 1.00 0.00 C ATOM 301 C ILE A 22 -20.880 5.449 24.216 1.00 0.00 C ATOM 302 O ILE A 22 -19.728 5.058 24.004 1.00 0.00 O ATOM 303 CB ILE A 22 -21.816 3.205 23.634 1.00 0.00 C ATOM 304 CG1 ILE A 22 -21.960 3.589 22.155 1.00 0.00 C ATOM 305 CG2 ILE A 22 -22.825 2.131 24.008 1.00 0.00 C ATOM 306 CD1 ILE A 22 -20.887 2.995 21.273 1.00 0.00 C ATOM 0 H ILE A 22 -23.710 4.934 23.424 1.00 0.00 H new ATOM 0 HA ILE A 22 -21.931 4.145 25.584 1.00 0.00 H new ATOM 0 HB ILE A 22 -20.813 2.806 23.787 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -22.936 3.263 21.796 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -21.934 4.675 22.065 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -22.688 1.263 23.364 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -22.677 1.839 25.048 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -23.835 2.521 23.881 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.050 3.307 20.241 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -19.909 3.341 21.607 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -20.927 1.907 21.334 1.00 0.00 H new ATOM 318 N THR A 23 -21.244 6.734 24.198 1.00 0.00 N ATOM 319 CA THR A 23 -20.341 7.825 23.837 1.00 0.00 C ATOM 320 C THR A 23 -18.966 7.723 24.487 1.00 0.00 C ATOM 321 O THR A 23 -18.006 7.384 23.826 1.00 0.00 O ATOM 322 CB THR A 23 -20.942 9.184 24.216 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.250 9.316 23.645 1.00 0.00 O ATOM 324 CG2 THR A 23 -20.038 10.327 23.743 1.00 0.00 C ATOM 0 H THR A 23 -22.185 7.047 24.437 1.00 0.00 H new ATOM 0 HA THR A 23 -20.215 7.740 22.758 1.00 0.00 H new ATOM 0 HB THR A 23 -21.021 9.239 25.302 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.883 9.597 24.338 1.00 0.00 H new ATOM 0 HG21 THR A 23 -20.483 11.282 24.022 1.00 0.00 H new ATOM 0 HG22 THR A 23 -19.058 10.233 24.210 1.00 0.00 H new ATOM 0 HG23 THR A 23 -19.929 10.280 22.659 1.00 0.00 H new ATOM 332 N LYS A 24 -18.895 7.964 25.796 1.00 0.00 N ATOM 333 CA LYS A 24 -17.611 8.039 26.498 1.00 0.00 C ATOM 334 C LYS A 24 -16.799 6.754 26.354 1.00 0.00 C ATOM 335 O LYS A 24 -15.573 6.799 26.223 1.00 0.00 O ATOM 336 CB LYS A 24 -17.801 8.366 27.989 1.00 0.00 C ATOM 337 CG LYS A 24 -18.200 9.818 28.316 1.00 0.00 C ATOM 338 CD LYS A 24 -19.678 10.107 28.059 1.00 0.00 C ATOM 339 CE LYS A 24 -20.082 11.452 28.653 1.00 0.00 C ATOM 340 NZ LYS A 24 -21.540 11.706 28.530 1.00 0.00 N ATOM 0 H LYS A 24 -19.709 8.111 26.392 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.054 8.849 26.027 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -18.564 7.701 28.392 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.872 8.139 28.512 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -17.972 10.024 29.362 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -17.594 10.498 27.718 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -19.871 10.106 26.986 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -20.288 9.315 28.494 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -19.797 11.483 29.705 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -19.533 12.248 28.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -21.710 12.390 27.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -22.030 10.815 28.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -21.902 12.091 29.426 1.00 0.00 H new ATOM 354 N GLN A 25 -17.482 5.625 26.371 1.00 0.00 N ATOM 355 CA GLN A 25 -16.841 4.338 26.292 1.00 0.00 C ATOM 356 C GLN A 25 -16.070 4.163 24.962 1.00 0.00 C ATOM 357 O GLN A 25 -14.839 4.077 24.958 1.00 0.00 O ATOM 358 CB GLN A 25 -17.884 3.238 26.456 1.00 0.00 C ATOM 359 CG GLN A 25 -17.291 1.898 26.793 1.00 0.00 C ATOM 360 CD GLN A 25 -18.331 0.810 26.963 1.00 0.00 C ATOM 361 OE1 GLN A 25 -19.478 1.071 27.326 1.00 0.00 O ATOM 362 NE2 GLN A 25 -17.933 -0.422 26.708 1.00 0.00 N ATOM 0 H GLN A 25 -18.499 5.581 26.440 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.111 4.269 27.099 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.584 3.525 27.241 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.458 3.151 25.533 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -16.596 1.607 26.005 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -16.712 1.985 27.713 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.973 -0.596 26.409 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.585 -1.200 26.810 1.00 0.00 H new ATOM 371 N ILE A 26 -16.796 4.126 23.838 1.00 0.00 N ATOM 372 CA ILE A 26 -16.181 3.910 22.526 1.00 0.00 C ATOM 373 C ILE A 26 -15.343 5.126 22.079 1.00 0.00 C ATOM 374 O ILE A 26 -14.375 4.988 21.318 1.00 0.00 O ATOM 375 CB ILE A 26 -17.253 3.557 21.438 1.00 0.00 C ATOM 376 CG1 ILE A 26 -16.624 2.716 20.337 1.00 0.00 C ATOM 377 CG2 ILE A 26 -17.891 4.817 20.841 1.00 0.00 C ATOM 378 CD1 ILE A 26 -17.625 2.108 19.375 1.00 0.00 C ATOM 0 H ILE A 26 -17.809 4.243 23.812 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.509 3.058 22.632 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.043 2.984 21.924 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -15.926 3.336 19.775 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.042 1.915 20.794 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.628 4.531 20.091 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.379 5.387 21.631 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.119 5.430 20.376 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.097 1.524 18.621 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.309 1.459 19.923 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.191 2.902 18.888 1.00 0.00 H new ATOM 390 N LEU A 27 -15.712 6.304 22.573 1.00 0.00 N ATOM 391 CA LEU A 27 -15.056 7.556 22.199 1.00 0.00 C ATOM 392 C LEU A 27 -13.595 7.562 22.612 1.00 0.00 C ATOM 393 O LEU A 27 -12.759 8.071 21.896 1.00 0.00 O ATOM 394 CB LEU A 27 -15.777 8.753 22.824 1.00 0.00 C ATOM 395 CG LEU A 27 -15.314 10.135 22.385 1.00 0.00 C ATOM 396 CD1 LEU A 27 -15.576 10.341 20.899 1.00 0.00 C ATOM 397 CD2 LEU A 27 -16.014 11.206 23.201 1.00 0.00 C ATOM 0 H LEU A 27 -16.473 6.419 23.243 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.105 7.638 21.113 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.840 8.664 22.602 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.671 8.687 23.907 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.240 10.212 22.556 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.238 11.335 20.604 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.034 9.589 20.326 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.644 10.247 20.701 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.674 12.190 22.878 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.091 11.128 23.056 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.780 11.070 24.257 1.00 0.00 H new ATOM 409 N ALA A 28 -13.298 6.987 23.770 1.00 0.00 N ATOM 410 CA ALA A 28 -11.927 6.968 24.290 1.00 0.00 C ATOM 411 C ALA A 28 -10.935 6.409 23.266 1.00 0.00 C ATOM 412 O ALA A 28 -9.787 6.851 23.192 1.00 0.00 O ATOM 413 CB ALA A 28 -11.864 6.168 25.584 1.00 0.00 C ATOM 0 H ALA A 28 -13.983 6.527 24.370 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.638 7.999 24.494 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.840 6.162 25.959 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.520 6.624 26.326 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.187 5.144 25.395 1.00 0.00 H new ATOM 419 N TYR A 29 -11.377 5.441 22.480 1.00 0.00 N ATOM 420 CA TYR A 29 -10.525 4.846 21.470 1.00 0.00 C ATOM 421 C TYR A 29 -10.687 5.527 20.103 1.00 0.00 C ATOM 422 O TYR A 29 -9.702 5.822 19.427 1.00 0.00 O ATOM 423 CB TYR A 29 -10.808 3.345 21.338 1.00 0.00 C ATOM 424 CG TYR A 29 -9.988 2.661 20.259 1.00 0.00 C ATOM 425 CD1 TYR A 29 -8.670 2.285 20.489 1.00 0.00 C ATOM 426 CD2 TYR A 29 -10.533 2.402 19.010 1.00 0.00 C ATOM 427 CE1 TYR A 29 -7.921 1.671 19.501 1.00 0.00 C ATOM 428 CE2 TYR A 29 -9.794 1.790 18.019 1.00 0.00 C ATOM 429 CZ TYR A 29 -8.489 1.426 18.269 1.00 0.00 C ATOM 430 OH TYR A 29 -7.747 0.819 17.281 1.00 0.00 O ATOM 0 H TYR A 29 -12.319 5.053 22.524 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.496 4.993 21.797 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.609 2.861 22.294 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.867 3.202 21.123 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.224 2.475 21.454 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.556 2.685 18.810 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.897 1.385 19.694 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.236 1.597 17.053 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.296 0.718 16.475 1.00 0.00 H new ATOM 440 N PHE A 30 -11.926 5.793 19.711 1.00 0.00 N ATOM 441 CA PHE A 30 -12.205 6.295 18.365 1.00 0.00 C ATOM 442 C PHE A 30 -12.094 7.814 18.213 1.00 0.00 C ATOM 443 O PHE A 30 -12.087 8.317 17.090 1.00 0.00 O ATOM 444 CB PHE A 30 -13.566 5.805 17.883 1.00 0.00 C ATOM 445 CG PHE A 30 -13.577 4.367 17.452 1.00 0.00 C ATOM 446 CD1 PHE A 30 -13.829 3.354 18.360 1.00 0.00 C ATOM 447 CD2 PHE A 30 -13.342 4.031 16.129 1.00 0.00 C ATOM 448 CE1 PHE A 30 -13.845 2.032 17.958 1.00 0.00 C ATOM 449 CE2 PHE A 30 -13.356 2.712 15.720 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.607 1.710 16.635 1.00 0.00 C ATOM 0 H PHE A 30 -12.751 5.672 20.298 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.417 5.884 17.734 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.294 5.940 18.683 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.890 6.427 17.049 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -14.015 3.599 19.395 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -13.145 4.811 15.408 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -14.043 1.251 18.677 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -13.171 2.465 14.685 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.617 0.677 16.318 1.00 0.00 H new ATOM 460 N ALA A 31 -11.996 8.547 19.314 1.00 0.00 N ATOM 461 CA ALA A 31 -11.863 10.008 19.237 1.00 0.00 C ATOM 462 C ALA A 31 -10.515 10.395 18.680 1.00 0.00 C ATOM 463 O ALA A 31 -10.322 11.516 18.226 1.00 0.00 O ATOM 464 CB ALA A 31 -12.077 10.657 20.586 1.00 0.00 C ATOM 0 H ALA A 31 -12.005 8.168 20.261 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.639 10.370 18.562 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.971 11.738 20.491 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.077 10.421 20.949 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.337 10.281 21.292 1.00 0.00 H new ATOM 470 N GLN A 32 -9.579 9.461 18.748 1.00 0.00 N ATOM 471 CA GLN A 32 -8.255 9.659 18.195 1.00 0.00 C ATOM 472 C GLN A 32 -8.353 9.730 16.673 1.00 0.00 C ATOM 473 O GLN A 32 -7.529 10.350 16.002 1.00 0.00 O ATOM 474 CB GLN A 32 -7.336 8.502 18.611 1.00 0.00 C ATOM 475 CG GLN A 32 -5.894 8.672 18.172 1.00 0.00 C ATOM 476 CD GLN A 32 -5.225 9.851 18.847 1.00 0.00 C ATOM 477 OE1 GLN A 32 -5.515 10.168 20.000 1.00 0.00 O ATOM 478 NE2 GLN A 32 -4.332 10.505 18.139 1.00 0.00 N ATOM 0 H GLN A 32 -9.718 8.550 19.186 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.836 10.591 18.575 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.365 8.400 19.696 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.725 7.574 18.193 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.338 7.762 18.398 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.859 8.807 17.091 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.121 10.209 17.186 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.850 11.308 18.542 1.00 0.00 H new ATOM 487 N PHE A 33 -9.373 9.068 16.148 1.00 0.00 N ATOM 488 CA PHE A 33 -9.620 9.024 14.727 1.00 0.00 C ATOM 489 C PHE A 33 -10.488 10.206 14.295 1.00 0.00 C ATOM 490 O PHE A 33 -10.147 10.924 13.359 1.00 0.00 O ATOM 491 CB PHE A 33 -10.307 7.707 14.356 1.00 0.00 C ATOM 492 CG PHE A 33 -9.451 6.486 14.550 1.00 0.00 C ATOM 493 CD1 PHE A 33 -9.362 5.875 15.790 1.00 0.00 C ATOM 494 CD2 PHE A 33 -8.745 5.942 13.488 1.00 0.00 C ATOM 495 CE1 PHE A 33 -8.585 4.749 15.970 1.00 0.00 C ATOM 496 CE2 PHE A 33 -7.966 4.815 13.661 1.00 0.00 C ATOM 497 CZ PHE A 33 -7.886 4.216 14.905 1.00 0.00 C ATOM 0 H PHE A 33 -10.051 8.546 16.703 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.664 9.088 14.207 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.211 7.601 14.955 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.620 7.755 13.313 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.908 6.285 16.627 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.805 6.405 12.514 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.524 4.285 16.943 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.420 4.402 12.826 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.279 3.334 15.043 1.00 0.00 H new ATOM 507 N GLY A 34 -11.613 10.398 14.979 1.00 0.00 N ATOM 508 CA GLY A 34 -12.509 11.484 14.629 1.00 0.00 C ATOM 509 C GLY A 34 -13.769 11.505 15.474 1.00 0.00 C ATOM 510 O GLY A 34 -13.857 10.811 16.490 1.00 0.00 O ATOM 0 H GLY A 34 -11.918 9.824 15.765 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.984 12.433 14.744 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.784 11.397 13.578 1.00 0.00 H new ATOM 514 N GLU A 35 -14.745 12.301 15.052 1.00 0.00 N ATOM 515 CA GLU A 35 -16.015 12.412 15.760 1.00 0.00 C ATOM 516 C GLU A 35 -16.936 11.282 15.359 1.00 0.00 C ATOM 517 O GLU A 35 -17.312 11.152 14.193 1.00 0.00 O ATOM 518 CB GLU A 35 -16.662 13.764 15.479 1.00 0.00 C ATOM 519 CG GLU A 35 -17.988 14.004 16.188 1.00 0.00 C ATOM 520 CD GLU A 35 -18.533 15.409 15.959 1.00 0.00 C ATOM 521 OE1 GLU A 35 -18.821 15.770 14.795 1.00 0.00 O ATOM 522 OE2 GLU A 35 -18.682 16.154 16.947 1.00 0.00 O ATOM 0 H GLU A 35 -14.680 12.883 14.217 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.829 12.340 16.832 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.965 14.550 15.769 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -16.820 13.858 14.405 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -18.719 13.274 15.839 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -17.858 13.839 17.258 1.00 0.00 H new ATOM 529 N ILE A 36 -17.274 10.455 16.323 1.00 0.00 N ATOM 530 CA ILE A 36 -18.104 9.301 16.070 1.00 0.00 C ATOM 531 C ILE A 36 -19.577 9.610 16.302 1.00 0.00 C ATOM 532 O ILE A 36 -20.416 9.381 15.441 1.00 0.00 O ATOM 533 CB ILE A 36 -17.697 8.127 16.977 1.00 0.00 C ATOM 534 CG1 ILE A 36 -16.192 7.862 16.881 1.00 0.00 C ATOM 535 CG2 ILE A 36 -18.471 6.898 16.590 1.00 0.00 C ATOM 536 CD1 ILE A 36 -15.718 7.501 15.489 1.00 0.00 C ATOM 0 H ILE A 36 -16.984 10.562 17.295 1.00 0.00 H new ATOM 0 HA ILE A 36 -17.958 9.029 15.025 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.928 8.385 18.010 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.655 8.749 17.218 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.932 7.053 17.564 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.181 6.068 17.234 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.538 7.089 16.703 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.256 6.644 15.552 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -14.642 7.329 15.504 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.226 6.596 15.155 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.945 8.318 14.804 1.00 0.00 H new ATOM 548 N LEU A 37 -19.876 10.126 17.469 1.00 0.00 N ATOM 549 CA LEU A 37 -21.239 10.445 17.836 1.00 0.00 C ATOM 550 C LEU A 37 -21.297 11.742 18.629 1.00 0.00 C ATOM 551 O LEU A 37 -20.285 12.431 18.770 1.00 0.00 O ATOM 552 CB LEU A 37 -21.907 9.276 18.605 1.00 0.00 C ATOM 553 CG LEU A 37 -20.970 8.327 19.374 1.00 0.00 C ATOM 554 CD1 LEU A 37 -20.234 9.063 20.471 1.00 0.00 C ATOM 555 CD2 LEU A 37 -21.757 7.151 19.951 1.00 0.00 C ATOM 0 H LEU A 37 -19.186 10.337 18.190 1.00 0.00 H new ATOM 0 HA LEU A 37 -21.808 10.591 16.918 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -22.619 9.698 19.314 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.480 8.684 17.892 1.00 0.00 H new ATOM 0 HG LEU A 37 -20.230 7.940 18.673 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -19.579 8.369 20.998 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.638 9.865 20.035 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.954 9.486 21.172 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -21.079 6.490 20.491 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -22.521 7.524 20.633 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -22.233 6.599 19.140 1.00 0.00 H new ATOM 567 N GLU A 38 -22.466 12.062 19.143 1.00 0.00 N ATOM 568 CA GLU A 38 -22.672 13.311 19.850 1.00 0.00 C ATOM 569 C GLU A 38 -22.390 13.171 21.351 1.00 0.00 C ATOM 570 O GLU A 38 -21.416 12.516 21.742 1.00 0.00 O ATOM 571 CB GLU A 38 -24.091 13.801 19.600 1.00 0.00 C ATOM 572 CG GLU A 38 -24.364 14.109 18.143 1.00 0.00 C ATOM 573 CD GLU A 38 -25.772 14.577 17.905 1.00 0.00 C ATOM 574 OE1 GLU A 38 -26.017 15.788 18.013 1.00 0.00 O ATOM 575 OE2 GLU A 38 -26.632 13.735 17.599 1.00 0.00 O ATOM 0 H GLU A 38 -23.295 11.470 19.084 1.00 0.00 H new ATOM 0 HA GLU A 38 -21.964 14.047 19.469 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -24.796 13.044 19.944 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -24.270 14.697 20.194 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -23.668 14.875 17.801 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -24.176 13.217 17.545 1.00 0.00 H new ATOM 582 N ASP A 39 -23.248 13.799 22.182 1.00 0.00 N ATOM 583 CA ASP A 39 -23.082 13.827 23.647 1.00 0.00 C ATOM 584 C ASP A 39 -21.907 14.721 24.042 1.00 0.00 C ATOM 585 O ASP A 39 -22.109 15.844 24.496 1.00 0.00 O ATOM 586 CB ASP A 39 -22.920 12.410 24.205 1.00 0.00 C ATOM 587 CG ASP A 39 -22.581 12.380 25.677 1.00 0.00 C ATOM 588 OD1 ASP A 39 -21.384 12.387 26.017 1.00 0.00 O ATOM 589 OD2 ASP A 39 -23.511 12.314 26.508 1.00 0.00 O ATOM 0 H ASP A 39 -24.074 14.300 21.855 1.00 0.00 H new ATOM 0 HA ASP A 39 -23.984 14.252 24.086 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.844 11.855 24.041 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -22.136 11.896 23.649 1.00 0.00 H new ATOM 594 N LEU A 40 -20.695 14.206 23.832 1.00 0.00 N ATOM 595 CA LEU A 40 -19.427 14.906 24.091 1.00 0.00 C ATOM 596 C LEU A 40 -19.433 15.764 25.343 1.00 0.00 C ATOM 597 O LEU A 40 -19.761 16.952 25.296 1.00 0.00 O ATOM 598 CB LEU A 40 -19.037 15.775 22.910 1.00 0.00 C ATOM 599 CG LEU A 40 -18.874 15.073 21.580 1.00 0.00 C ATOM 600 CD1 LEU A 40 -18.373 16.062 20.560 1.00 0.00 C ATOM 601 CD2 LEU A 40 -17.930 13.883 21.703 1.00 0.00 C ATOM 0 H LEU A 40 -20.560 13.263 23.467 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.697 14.112 24.246 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -19.792 16.553 22.795 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -18.098 16.275 23.149 1.00 0.00 H new ATOM 0 HG LEU A 40 -19.840 14.684 21.256 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -18.253 15.563 19.598 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -19.091 16.876 20.460 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -17.412 16.463 20.883 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -17.830 13.396 20.733 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.952 14.228 22.038 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -18.332 13.173 22.426 1.00 0.00 H new ATOM 1035 N SER A 67 -21.160 16.943 13.162 1.00 0.00 N ATOM 1036 CA SER A 67 -20.800 17.604 11.909 1.00 0.00 C ATOM 1037 C SER A 67 -20.749 16.604 10.736 1.00 0.00 C ATOM 1038 O SER A 67 -20.129 16.866 9.699 1.00 0.00 O ATOM 1039 CB SER A 67 -19.453 18.323 12.062 1.00 0.00 C ATOM 1040 OG SER A 67 -19.163 19.104 10.914 1.00 0.00 O ATOM 0 HA SER A 67 -21.572 18.339 11.681 1.00 0.00 H new ATOM 0 HB2 SER A 67 -19.475 18.962 12.945 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.661 17.591 12.218 1.00 0.00 H new ATOM 0 HG SER A 67 -19.381 18.593 10.107 1.00 0.00 H new ATOM 1046 N ARG A 68 -21.409 15.480 10.908 1.00 0.00 N ATOM 1047 CA ARG A 68 -21.448 14.439 9.912 1.00 0.00 C ATOM 1048 C ARG A 68 -22.839 13.808 9.926 1.00 0.00 C ATOM 1049 O ARG A 68 -23.560 13.937 10.918 1.00 0.00 O ATOM 1050 CB ARG A 68 -20.369 13.396 10.213 1.00 0.00 C ATOM 1051 CG ARG A 68 -20.016 12.503 9.041 1.00 0.00 C ATOM 1052 CD ARG A 68 -19.414 13.304 7.898 1.00 0.00 C ATOM 1053 NE ARG A 68 -18.309 14.162 8.342 1.00 0.00 N ATOM 1054 CZ ARG A 68 -17.778 15.142 7.605 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -18.223 15.366 6.375 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -16.799 15.896 8.096 1.00 0.00 N ATOM 0 H ARG A 68 -21.938 15.263 11.753 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.251 14.850 8.922 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.468 13.910 10.547 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.705 12.772 11.041 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -19.309 11.738 9.364 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.910 11.985 8.694 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.054 12.621 7.128 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.189 13.920 7.441 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.922 14.000 9.272 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -18.972 14.790 5.991 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.816 16.115 5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.450 15.728 9.039 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.397 16.643 7.529 1.00 0.00 H new ATOM 1070 N GLU A 69 -23.237 13.166 8.845 1.00 0.00 N ATOM 1071 CA GLU A 69 -24.554 12.553 8.798 1.00 0.00 C ATOM 1072 C GLU A 69 -24.616 11.291 9.663 1.00 0.00 C ATOM 1073 O GLU A 69 -23.981 10.270 9.373 1.00 0.00 O ATOM 1074 CB GLU A 69 -25.009 12.255 7.351 1.00 0.00 C ATOM 1075 CG GLU A 69 -23.951 11.618 6.464 1.00 0.00 C ATOM 1076 CD GLU A 69 -23.065 12.642 5.790 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -22.077 13.078 6.405 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -23.353 13.015 4.631 1.00 0.00 O ATOM 0 H GLU A 69 -22.679 13.055 7.999 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.252 13.280 9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -25.876 11.596 7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -25.336 13.187 6.889 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -23.335 10.948 7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -24.439 11.008 5.704 1.00 0.00 H new ATOM 1085 N HIS A 70 -25.372 11.395 10.741 1.00 0.00 N ATOM 1086 CA HIS A 70 -25.579 10.323 11.680 1.00 0.00 C ATOM 1087 C HIS A 70 -27.066 10.152 11.914 1.00 0.00 C ATOM 1088 O HIS A 70 -27.771 11.121 12.200 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.848 10.644 13.006 1.00 0.00 C ATOM 1090 CG HIS A 70 -25.265 9.806 14.192 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -25.463 10.331 15.449 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -25.520 8.485 14.299 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -25.825 9.368 16.279 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -25.867 8.235 15.606 1.00 0.00 N ATOM 0 H HIS A 70 -25.868 12.251 10.988 1.00 0.00 H new ATOM 0 HA HIS A 70 -25.174 9.393 11.282 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -23.777 10.517 12.851 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -25.013 11.694 13.248 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -25.462 7.757 13.503 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -26.048 9.489 17.329 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -26.116 7.324 15.991 1.00 0.00 H new ATOM 1102 N GLY A 71 -27.537 8.938 11.769 1.00 0.00 N ATOM 1103 CA GLY A 71 -28.924 8.665 12.003 1.00 0.00 C ATOM 1104 C GLY A 71 -29.145 8.165 13.403 1.00 0.00 C ATOM 1105 O GLY A 71 -28.832 8.853 14.371 1.00 0.00 O ATOM 0 H GLY A 71 -26.980 8.130 11.491 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -29.509 9.570 11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -29.278 7.923 11.288 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.669 6.970 13.513 1.00 0.00 N ATOM 1110 CA ARG A 72 -29.902 6.367 14.804 1.00 0.00 C ATOM 1111 C ARG A 72 -28.702 5.550 15.216 1.00 0.00 C ATOM 1112 O ARG A 72 -27.884 5.991 16.025 1.00 0.00 O ATOM 1113 CB ARG A 72 -31.168 5.508 14.760 1.00 0.00 C ATOM 1114 CG ARG A 72 -32.425 6.303 14.447 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.632 5.400 14.254 1.00 0.00 C ATOM 1116 NE ARG A 72 -33.481 4.538 13.075 1.00 0.00 N ATOM 1117 CZ ARG A 72 -34.490 4.105 12.314 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -35.744 4.468 12.584 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -34.242 3.318 11.275 1.00 0.00 N ATOM 0 H ARG A 72 -29.944 6.391 12.719 1.00 0.00 H new ATOM 0 HA ARG A 72 -30.050 7.150 15.547 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -31.043 4.728 14.009 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -31.293 5.008 15.721 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -32.622 7.005 15.257 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -32.266 6.894 13.545 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -33.770 4.782 15.141 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -34.529 6.009 14.147 1.00 0.00 H new ATOM 0 HE ARG A 72 -32.537 4.249 12.818 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -35.938 5.080 13.376 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -36.509 4.133 11.998 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -33.283 3.045 11.059 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -35.010 2.986 10.692 1.00 0.00 H new ATOM 1133 N THR A 73 -28.565 4.391 14.629 1.00 0.00 N ATOM 1134 CA THR A 73 -27.488 3.510 14.972 1.00 0.00 C ATOM 1135 C THR A 73 -26.426 3.443 13.873 1.00 0.00 C ATOM 1136 O THR A 73 -25.456 2.687 13.978 1.00 0.00 O ATOM 1137 CB THR A 73 -28.022 2.114 15.268 1.00 0.00 C ATOM 1138 OG1 THR A 73 -28.936 1.707 14.231 1.00 0.00 O ATOM 1139 CG2 THR A 73 -28.730 2.083 16.614 1.00 0.00 C ATOM 0 H THR A 73 -29.192 4.036 13.907 1.00 0.00 H new ATOM 0 HA THR A 73 -27.011 3.914 15.865 1.00 0.00 H new ATOM 0 HB THR A 73 -27.179 1.424 15.301 1.00 0.00 H new ATOM 0 HG1 THR A 73 -29.274 0.808 14.427 1.00 0.00 H new ATOM 0 HG21 THR A 73 -29.104 1.077 16.806 1.00 0.00 H new ATOM 0 HG22 THR A 73 -28.030 2.366 17.400 1.00 0.00 H new ATOM 0 HG23 THR A 73 -29.565 2.784 16.602 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.612 4.232 12.819 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.661 4.264 11.716 1.00 0.00 C ATOM 1149 C TRP A 74 -24.963 5.617 11.652 1.00 0.00 C ATOM 1150 O TRP A 74 -25.604 6.668 11.799 1.00 0.00 O ATOM 1151 CB TRP A 74 -26.349 3.941 10.375 1.00 0.00 C ATOM 1152 CG TRP A 74 -27.385 4.950 9.938 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -28.722 4.922 10.209 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -27.161 6.127 9.142 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -29.342 6.006 9.635 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -28.406 6.760 8.976 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -26.028 6.705 8.556 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -28.552 7.940 8.250 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -26.175 7.875 7.838 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -27.427 8.482 7.692 1.00 0.00 C ATOM 0 H TRP A 74 -27.411 4.856 12.707 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.910 3.495 11.897 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -25.586 3.865 9.600 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -26.824 2.963 10.452 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -29.220 4.160 10.790 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -30.339 6.216 9.690 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -25.057 6.244 8.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -29.518 8.409 8.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -25.308 8.330 7.381 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -27.507 9.399 7.126 1.00 0.00 H new ATOM 1171 N THR A 75 -23.663 5.592 11.455 1.00 0.00 N ATOM 1172 CA THR A 75 -22.881 6.807 11.378 1.00 0.00 C ATOM 1173 C THR A 75 -21.896 6.752 10.211 1.00 0.00 C ATOM 1174 O THR A 75 -21.161 5.768 10.053 1.00 0.00 O ATOM 1175 CB THR A 75 -22.089 7.012 12.683 1.00 0.00 C ATOM 1176 OG1 THR A 75 -22.974 6.975 13.805 1.00 0.00 O ATOM 1177 CG2 THR A 75 -21.338 8.334 12.682 1.00 0.00 C ATOM 0 H THR A 75 -23.121 4.735 11.344 1.00 0.00 H new ATOM 0 HA THR A 75 -23.572 7.636 11.225 1.00 0.00 H new ATOM 0 HB THR A 75 -21.361 6.204 12.755 1.00 0.00 H new ATOM 0 HG1 THR A 75 -22.564 6.455 14.528 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.791 8.443 13.619 1.00 0.00 H new ATOM 0 HG22 THR A 75 -20.636 8.353 11.848 1.00 0.00 H new ATOM 0 HG23 THR A 75 -22.047 9.155 12.578 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.896 7.786 9.385 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.907 7.905 8.328 1.00 0.00 C ATOM 1187 C LYS A 76 -19.661 8.538 8.911 1.00 0.00 C ATOM 1188 O LYS A 76 -19.737 9.587 9.535 1.00 0.00 O ATOM 1189 CB LYS A 76 -21.432 8.772 7.173 1.00 0.00 C ATOM 1190 CG LYS A 76 -20.411 9.024 6.082 1.00 0.00 C ATOM 1191 CD LYS A 76 -20.960 9.972 5.038 1.00 0.00 C ATOM 1192 CE LYS A 76 -19.921 10.302 3.995 1.00 0.00 C ATOM 1193 NZ LYS A 76 -20.429 11.272 2.994 1.00 0.00 N ATOM 0 H LYS A 76 -22.568 8.552 9.426 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.687 6.914 7.931 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -22.305 8.287 6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.766 9.729 7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.503 9.442 6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -20.134 8.080 5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -21.830 9.523 4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -21.299 10.889 5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.036 10.713 4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.611 9.387 3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.631 11.800 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.929 10.761 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.083 11.936 3.455 1.00 0.00 H new ATOM 1207 N LEU A 77 -18.529 7.909 8.729 1.00 0.00 N ATOM 1208 CA LEU A 77 -17.301 8.446 9.259 1.00 0.00 C ATOM 1209 C LEU A 77 -16.373 8.881 8.143 1.00 0.00 C ATOM 1210 O LEU A 77 -15.911 8.066 7.342 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.620 7.433 10.181 1.00 0.00 C ATOM 1212 CG LEU A 77 -17.428 7.027 11.420 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -16.692 5.963 12.214 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.712 8.240 12.296 1.00 0.00 C ATOM 0 H LEU A 77 -18.431 7.030 8.221 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.544 9.329 9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.395 6.536 9.604 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.667 7.848 10.509 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.379 6.612 11.085 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.282 5.689 13.089 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.539 5.083 11.589 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.726 6.352 12.535 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.286 7.931 13.170 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.770 8.684 12.619 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.283 8.974 11.727 1.00 0.00 H new ATOM 1226 N THR A 78 -16.117 10.172 8.094 1.00 0.00 N ATOM 1227 CA THR A 78 -15.247 10.744 7.097 1.00 0.00 C ATOM 1228 C THR A 78 -13.954 11.224 7.758 1.00 0.00 C ATOM 1229 O THR A 78 -13.971 12.153 8.569 1.00 0.00 O ATOM 1230 CB THR A 78 -15.944 11.937 6.396 1.00 0.00 C ATOM 1231 OG1 THR A 78 -17.164 11.495 5.779 1.00 0.00 O ATOM 1232 CG2 THR A 78 -15.040 12.561 5.340 1.00 0.00 C ATOM 0 H THR A 78 -16.508 10.852 8.746 1.00 0.00 H new ATOM 0 HA THR A 78 -15.016 9.982 6.352 1.00 0.00 H new ATOM 0 HB THR A 78 -16.163 12.691 7.152 1.00 0.00 H new ATOM 0 HG1 THR A 78 -17.601 12.253 5.339 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.557 13.395 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.125 12.921 5.811 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.790 11.813 4.587 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.843 10.587 7.416 1.00 0.00 N ATOM 1241 CA TYR A 79 -11.551 10.947 7.990 1.00 0.00 C ATOM 1242 C TYR A 79 -10.675 11.641 6.961 1.00 0.00 C ATOM 1243 O TYR A 79 -9.545 12.035 7.266 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.839 9.698 8.507 1.00 0.00 C ATOM 1245 CG TYR A 79 -11.601 8.970 9.584 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -11.595 9.430 10.886 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -12.337 7.826 9.297 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -12.292 8.776 11.878 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -13.036 7.165 10.284 1.00 0.00 C ATOM 1250 CZ TYR A 79 -13.009 7.648 11.575 1.00 0.00 C ATOM 1251 OH TYR A 79 -13.697 6.995 12.566 1.00 0.00 O ATOM 0 H TYR A 79 -12.809 9.819 6.745 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.729 11.634 8.818 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.666 9.018 7.673 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.861 9.982 8.895 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.033 10.319 11.131 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.361 7.449 8.285 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.274 9.151 12.891 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.601 6.275 10.048 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.780 6.046 12.336 1.00 0.00 H new ATOM 1261 N ALA A 80 -11.205 11.772 5.733 1.00 0.00 N ATOM 1262 CA ALA A 80 -10.504 12.425 4.604 1.00 0.00 C ATOM 1263 C ALA A 80 -9.312 11.596 4.096 1.00 0.00 C ATOM 1264 O ALA A 80 -9.098 11.474 2.886 1.00 0.00 O ATOM 1265 CB ALA A 80 -10.064 13.846 4.968 1.00 0.00 C ATOM 0 H ALA A 80 -12.134 11.428 5.490 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.222 12.489 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.553 14.298 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.939 14.443 5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.387 13.810 5.821 1.00 0.00 H new ATOM 1271 N ASN A 81 -8.561 11.029 5.015 1.00 0.00 N ATOM 1272 CA ASN A 81 -7.398 10.228 4.684 1.00 0.00 C ATOM 1273 C ASN A 81 -7.794 8.793 4.424 1.00 0.00 C ATOM 1274 O ASN A 81 -8.651 8.237 5.113 1.00 0.00 O ATOM 1275 CB ASN A 81 -6.373 10.289 5.816 1.00 0.00 C ATOM 1276 CG ASN A 81 -5.739 11.656 5.956 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -4.687 11.932 5.385 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -6.380 12.525 6.708 1.00 0.00 N ATOM 0 H ASN A 81 -8.739 11.110 6.016 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.951 10.635 3.777 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.858 10.020 6.754 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.594 9.548 5.636 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.005 13.466 6.833 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.251 12.258 7.166 1.00 0.00 H new ATOM 1285 N HIS A 82 -7.166 8.195 3.437 1.00 0.00 N ATOM 1286 CA HIS A 82 -7.452 6.815 3.075 1.00 0.00 C ATOM 1287 C HIS A 82 -6.642 5.866 3.954 1.00 0.00 C ATOM 1288 O HIS A 82 -6.978 4.697 4.092 1.00 0.00 O ATOM 1289 CB HIS A 82 -7.150 6.572 1.589 1.00 0.00 C ATOM 1290 CG HIS A 82 -7.644 5.247 1.073 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -6.806 4.225 0.698 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -8.901 4.800 0.843 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -7.525 3.206 0.258 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -8.800 3.531 0.335 1.00 0.00 N ATOM 0 H HIS A 82 -6.449 8.641 2.865 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.512 6.622 3.239 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.603 7.371 1.001 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.073 6.632 1.433 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -9.816 5.344 1.026 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.134 2.266 -0.103 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.582 2.936 0.062 1.00 0.00 H new ATOM 1302 N SER A 83 -5.583 6.386 4.550 1.00 0.00 N ATOM 1303 CA SER A 83 -4.736 5.607 5.443 1.00 0.00 C ATOM 1304 C SER A 83 -5.538 5.108 6.654 1.00 0.00 C ATOM 1305 O SER A 83 -5.384 3.968 7.092 1.00 0.00 O ATOM 1306 CB SER A 83 -3.554 6.457 5.900 1.00 0.00 C ATOM 1307 OG SER A 83 -2.874 7.004 4.781 1.00 0.00 O ATOM 0 H SER A 83 -5.285 7.354 4.431 1.00 0.00 H new ATOM 0 HA SER A 83 -4.362 4.736 4.904 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.905 7.260 6.548 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.867 5.849 6.489 1.00 0.00 H new ATOM 0 HG SER A 83 -2.120 7.548 5.090 1.00 0.00 H new ATOM 1313 N SER A 84 -6.402 5.966 7.171 1.00 0.00 N ATOM 1314 CA SER A 84 -7.226 5.632 8.316 1.00 0.00 C ATOM 1315 C SER A 84 -8.445 4.792 7.908 1.00 0.00 C ATOM 1316 O SER A 84 -9.116 4.207 8.758 1.00 0.00 O ATOM 1317 CB SER A 84 -7.657 6.916 9.018 1.00 0.00 C ATOM 1318 OG SER A 84 -7.994 7.915 8.066 1.00 0.00 O ATOM 0 H SER A 84 -6.550 6.908 6.810 1.00 0.00 H new ATOM 0 HA SER A 84 -6.638 5.025 9.005 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.513 6.715 9.662 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.852 7.274 9.660 1.00 0.00 H new ATOM 0 HG SER A 84 -8.115 8.774 8.522 1.00 0.00 H new ATOM 1324 N TYR A 85 -8.696 4.715 6.602 1.00 0.00 N ATOM 1325 CA TYR A 85 -9.817 3.946 6.063 1.00 0.00 C ATOM 1326 C TYR A 85 -9.699 2.475 6.434 1.00 0.00 C ATOM 1327 O TYR A 85 -10.656 1.869 6.894 1.00 0.00 O ATOM 1328 CB TYR A 85 -9.877 4.106 4.530 1.00 0.00 C ATOM 1329 CG TYR A 85 -10.844 3.169 3.825 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -12.202 3.437 3.782 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -10.385 2.017 3.196 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -13.077 2.579 3.134 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -11.248 1.158 2.549 1.00 0.00 C ATOM 1334 CZ TYR A 85 -12.592 1.442 2.519 1.00 0.00 C ATOM 1335 OH TYR A 85 -13.456 0.584 1.876 1.00 0.00 O ATOM 0 H TYR A 85 -8.132 5.181 5.891 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.738 4.332 6.499 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.156 5.134 4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.878 3.947 4.124 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.585 4.327 4.260 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.329 1.790 3.215 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.134 2.799 3.110 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.870 0.268 2.069 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.951 -0.165 1.496 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.512 1.920 6.250 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.275 0.504 6.520 1.00 0.00 C ATOM 1347 C LEU A 86 -8.486 0.178 8.000 1.00 0.00 C ATOM 1348 O LEU A 86 -9.095 -0.836 8.344 1.00 0.00 O ATOM 1349 CB LEU A 86 -6.851 0.099 6.090 1.00 0.00 C ATOM 1350 CG LEU A 86 -6.548 0.114 4.575 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -7.624 -0.611 3.785 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -6.366 1.536 4.059 1.00 0.00 C ATOM 0 H LEU A 86 -7.693 2.427 5.914 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.997 -0.068 5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.145 0.766 6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.656 -0.906 6.465 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.609 -0.420 4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.379 -0.581 2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.681 -1.648 4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.586 -0.125 3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.154 1.511 2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.278 2.106 4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.535 2.009 4.582 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.986 1.049 8.864 1.00 0.00 N ATOM 1365 CA ARG A 87 -8.102 0.861 10.311 1.00 0.00 C ATOM 1366 C ARG A 87 -9.545 1.003 10.798 1.00 0.00 C ATOM 1367 O ARG A 87 -9.991 0.254 11.663 1.00 0.00 O ATOM 1368 CB ARG A 87 -7.205 1.851 11.048 1.00 0.00 C ATOM 1369 CG ARG A 87 -5.725 1.572 10.881 1.00 0.00 C ATOM 1370 CD ARG A 87 -4.880 2.625 11.576 1.00 0.00 C ATOM 1371 NE ARG A 87 -3.454 2.356 11.430 1.00 0.00 N ATOM 1372 CZ ARG A 87 -2.496 3.264 11.608 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -2.807 4.522 11.898 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -1.225 2.916 11.489 1.00 0.00 N ATOM 0 H ARG A 87 -7.493 1.899 8.591 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.779 -0.157 10.530 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.419 2.858 10.690 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.452 1.831 12.109 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.491 0.588 11.288 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.476 1.545 9.820 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.109 3.607 11.162 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.138 2.658 12.635 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.172 1.410 11.175 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.785 4.798 11.986 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.068 5.212 12.033 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.979 1.953 11.261 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.491 3.611 11.625 1.00 0.00 H new ATOM 1388 N ALA A 88 -10.266 1.966 10.240 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.652 2.220 10.637 1.00 0.00 C ATOM 1390 C ALA A 88 -12.604 1.198 10.025 1.00 0.00 C ATOM 1391 O ALA A 88 -13.754 1.082 10.436 1.00 0.00 O ATOM 1392 CB ALA A 88 -12.065 3.629 10.241 1.00 0.00 C ATOM 0 H ALA A 88 -9.917 2.587 9.510 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.711 2.124 11.721 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.098 3.804 10.542 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.415 4.351 10.736 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.978 3.744 9.161 1.00 0.00 H new ATOM 1398 N LEU A 89 -12.106 0.458 9.052 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.890 -0.542 8.334 1.00 0.00 C ATOM 1400 C LEU A 89 -12.938 -1.866 9.105 1.00 0.00 C ATOM 1401 O LEU A 89 -13.640 -2.800 8.706 1.00 0.00 O ATOM 1402 CB LEU A 89 -12.283 -0.773 6.940 1.00 0.00 C ATOM 1403 CG LEU A 89 -13.058 -1.705 6.009 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -14.388 -1.082 5.608 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -12.230 -2.046 4.786 1.00 0.00 C ATOM 0 H LEU A 89 -11.140 0.531 8.732 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.910 -0.170 8.234 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.180 0.194 6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.278 -1.175 7.067 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.267 -2.630 6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.923 -1.762 4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.987 -0.898 6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.207 -0.139 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.799 -2.710 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.985 -1.131 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.310 -2.542 5.096 1.00 0.00 H new ATOM 1417 N ARG A 90 -12.177 -1.947 10.194 1.00 0.00 N ATOM 1418 CA ARG A 90 -12.062 -3.189 10.950 1.00 0.00 C ATOM 1419 C ARG A 90 -13.419 -3.682 11.481 1.00 0.00 C ATOM 1420 O ARG A 90 -14.154 -2.951 12.146 1.00 0.00 O ATOM 1421 CB ARG A 90 -11.073 -3.052 12.126 1.00 0.00 C ATOM 1422 CG ARG A 90 -11.582 -2.204 13.285 1.00 0.00 C ATOM 1423 CD ARG A 90 -10.639 -2.253 14.475 1.00 0.00 C ATOM 1424 NE ARG A 90 -11.192 -1.542 15.636 1.00 0.00 N ATOM 1425 CZ ARG A 90 -10.819 -1.761 16.905 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -9.856 -2.634 17.178 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -11.412 -1.102 17.897 1.00 0.00 N ATOM 0 H ARG A 90 -11.633 -1.170 10.570 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.680 -3.929 10.247 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.832 -4.047 12.499 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.145 -2.617 11.755 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.699 -1.171 12.956 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.568 -2.556 13.588 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.445 -3.292 14.743 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.682 -1.811 14.199 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.907 -0.835 15.465 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.397 -3.141 16.421 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.575 -2.798 18.145 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.151 -0.429 17.692 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.128 -1.269 18.862 1.00 0.00 H new ATOM 1441 N GLU A 91 -13.741 -4.916 11.150 1.00 0.00 N ATOM 1442 CA GLU A 91 -14.918 -5.583 11.686 1.00 0.00 C ATOM 1443 C GLU A 91 -14.567 -7.022 12.022 1.00 0.00 C ATOM 1444 O GLU A 91 -15.424 -7.821 12.402 1.00 0.00 O ATOM 1445 CB GLU A 91 -16.095 -5.550 10.699 1.00 0.00 C ATOM 1446 CG GLU A 91 -15.834 -6.267 9.384 1.00 0.00 C ATOM 1447 CD GLU A 91 -17.111 -6.569 8.630 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -17.777 -5.625 8.165 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -17.465 -7.762 8.505 1.00 0.00 O ATOM 0 H GLU A 91 -13.197 -5.487 10.503 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.230 -5.051 12.585 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -16.966 -5.999 11.176 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.347 -4.511 10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.184 -5.653 8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.302 -7.198 9.580 1.00 0.00 H new ATOM 1456 N HIS A 92 -13.283 -7.338 11.899 1.00 0.00 N ATOM 1457 CA HIS A 92 -12.794 -8.685 12.127 1.00 0.00 C ATOM 1458 C HIS A 92 -12.739 -8.987 13.622 1.00 0.00 C ATOM 1459 O HIS A 92 -11.786 -8.609 14.308 1.00 0.00 O ATOM 1460 CB HIS A 92 -11.403 -8.850 11.484 1.00 0.00 C ATOM 1461 CG HIS A 92 -10.830 -10.235 11.568 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -10.060 -10.666 12.622 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -10.902 -11.278 10.708 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -9.684 -11.913 12.410 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -10.178 -12.307 11.257 1.00 0.00 N ATOM 0 H HIS A 92 -12.558 -6.669 11.640 1.00 0.00 H new ATOM 0 HA HIS A 92 -13.480 -9.395 11.665 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.467 -8.562 10.435 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.712 -8.157 11.964 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -11.430 -11.297 9.766 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.074 -12.509 13.072 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.045 -13.228 10.838 1.00 0.00 H new ATOM 1473 N GLY A 93 -13.792 -9.624 14.125 1.00 0.00 N ATOM 1474 CA GLY A 93 -13.845 -9.999 15.527 1.00 0.00 C ATOM 1475 C GLY A 93 -13.949 -8.798 16.444 1.00 0.00 C ATOM 1476 O GLY A 93 -13.528 -8.850 17.601 1.00 0.00 O ATOM 0 H GLY A 93 -14.614 -9.889 13.583 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.700 -10.654 15.693 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.952 -10.570 15.781 1.00 0.00 H new ATOM 1480 N THR A 94 -14.503 -7.714 15.936 1.00 0.00 N ATOM 1481 CA THR A 94 -14.623 -6.504 16.714 1.00 0.00 C ATOM 1482 C THR A 94 -15.978 -6.430 17.423 1.00 0.00 C ATOM 1483 O THR A 94 -16.993 -6.078 16.818 1.00 0.00 O ATOM 1484 CB THR A 94 -14.424 -5.263 15.829 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.248 -5.442 15.030 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.261 -4.008 16.684 1.00 0.00 C ATOM 0 H THR A 94 -14.876 -7.650 14.989 1.00 0.00 H new ATOM 0 HA THR A 94 -13.840 -6.524 17.472 1.00 0.00 H new ATOM 0 HB THR A 94 -15.301 -5.141 15.194 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.116 -4.655 14.462 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.121 -3.142 16.037 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.153 -3.865 17.294 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.392 -4.120 17.332 1.00 0.00 H new ATOM 1494 N ILE A 95 -15.980 -6.781 18.698 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.183 -6.738 19.511 1.00 0.00 C ATOM 1496 C ILE A 95 -17.020 -5.723 20.626 1.00 0.00 C ATOM 1497 O ILE A 95 -16.051 -5.773 21.387 1.00 0.00 O ATOM 1498 CB ILE A 95 -17.516 -8.130 20.110 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -17.855 -9.118 18.993 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -18.667 -8.034 21.105 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -17.964 -10.557 19.460 1.00 0.00 C ATOM 0 H ILE A 95 -15.151 -7.103 19.197 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.011 -6.442 18.866 1.00 0.00 H new ATOM 0 HB ILE A 95 -16.638 -8.492 20.645 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -18.798 -8.823 18.533 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.090 -9.054 18.219 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -18.881 -9.023 21.510 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -18.391 -7.361 21.917 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -19.553 -7.649 20.600 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -18.207 -11.197 18.612 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -17.014 -10.872 19.893 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -18.749 -10.637 20.211 1.00 0.00 H new ATOM 1513 N TYR A 96 -17.961 -4.810 20.721 1.00 0.00 N ATOM 1514 CA TYR A 96 -17.903 -3.765 21.710 1.00 0.00 C ATOM 1515 C TYR A 96 -19.292 -3.535 22.306 1.00 0.00 C ATOM 1516 O TYR A 96 -20.281 -3.493 21.579 1.00 0.00 O ATOM 1517 CB TYR A 96 -17.378 -2.477 21.073 1.00 0.00 C ATOM 1518 CG TYR A 96 -16.757 -1.520 22.057 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -15.404 -1.599 22.356 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -17.513 -0.547 22.691 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -14.822 -0.738 23.256 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -16.938 0.320 23.591 1.00 0.00 C ATOM 1523 CZ TYR A 96 -15.591 0.220 23.871 1.00 0.00 C ATOM 1524 OH TYR A 96 -15.017 1.076 24.772 1.00 0.00 O ATOM 0 H TYR A 96 -18.782 -4.774 20.117 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.225 -4.064 22.509 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.639 -2.733 20.314 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -18.199 -1.975 20.561 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -14.797 -2.351 21.873 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -18.568 -0.468 22.476 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.768 -0.814 23.478 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -17.538 1.075 24.076 1.00 0.00 H new ATOM 0 HH TYR A 96 -14.689 1.872 24.304 1.00 0.00 H new ATOM 1534 N CYS A 97 -19.356 -3.429 23.632 1.00 0.00 N ATOM 1535 CA CYS A 97 -20.615 -3.181 24.355 1.00 0.00 C ATOM 1536 C CYS A 97 -21.550 -4.400 24.283 1.00 0.00 C ATOM 1537 O CYS A 97 -22.723 -4.325 24.651 1.00 0.00 O ATOM 1538 CB CYS A 97 -21.320 -1.913 23.818 1.00 0.00 C ATOM 1539 SG CYS A 97 -22.694 -1.317 24.838 1.00 0.00 S ATOM 0 H CYS A 97 -18.541 -3.512 24.240 1.00 0.00 H new ATOM 0 HA CYS A 97 -20.368 -3.014 25.403 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -20.582 -1.116 23.726 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -21.694 -2.119 22.815 1.00 0.00 H new ATOM 0 HG CYS A 97 -23.391 -2.329 25.262 1.00 0.00 H new ATOM 1545 N GLY A 98 -21.011 -5.527 23.837 1.00 0.00 N ATOM 1546 CA GLY A 98 -21.803 -6.739 23.746 1.00 0.00 C ATOM 1547 C GLY A 98 -22.264 -7.044 22.333 1.00 0.00 C ATOM 1548 O GLY A 98 -22.931 -8.057 22.101 1.00 0.00 O ATOM 0 H GLY A 98 -20.041 -5.624 23.537 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -21.216 -7.578 24.119 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -22.674 -6.646 24.394 1.00 0.00 H new ATOM 1552 N ALA A 99 -21.915 -6.184 21.389 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.298 -6.389 20.000 1.00 0.00 C ATOM 1554 C ALA A 99 -21.152 -6.068 19.066 1.00 0.00 C ATOM 1555 O ALA A 99 -20.246 -5.318 19.417 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.508 -5.545 19.648 1.00 0.00 C ATOM 0 H ALA A 99 -21.369 -5.339 21.558 1.00 0.00 H new ATOM 0 HA ALA A 99 -22.556 -7.441 19.879 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -23.778 -5.713 18.605 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.345 -5.823 20.289 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.272 -4.491 19.796 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.179 -6.645 17.889 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.151 -6.395 16.908 1.00 0.00 C ATOM 1564 C ALA A 100 -20.520 -5.198 16.055 1.00 0.00 C ATOM 1565 O ALA A 100 -21.636 -5.116 15.534 1.00 0.00 O ATOM 1566 CB ALA A 100 -19.932 -7.622 16.036 1.00 0.00 C ATOM 0 H ALA A 100 -21.905 -7.294 17.586 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.220 -6.177 17.431 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.153 -7.413 15.303 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -19.627 -8.462 16.660 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -20.859 -7.871 15.520 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.596 -4.271 15.918 1.00 0.00 N ATOM 1573 CA ILE A 101 -19.827 -3.097 15.104 1.00 0.00 C ATOM 1574 C ILE A 101 -19.508 -3.398 13.647 1.00 0.00 C ATOM 1575 O ILE A 101 -18.489 -4.019 13.335 1.00 0.00 O ATOM 1576 CB ILE A 101 -19.021 -1.854 15.605 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.517 -2.158 15.691 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -19.549 -1.376 16.956 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -16.673 -0.956 16.102 1.00 0.00 C ATOM 0 H ILE A 101 -18.677 -4.308 16.360 1.00 0.00 H new ATOM 0 HA ILE A 101 -20.883 -2.841 15.193 1.00 0.00 H new ATOM 0 HB ILE A 101 -19.159 -1.055 14.876 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.358 -2.964 16.407 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.172 -2.519 14.722 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -18.974 -0.511 17.286 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -20.599 -1.099 16.859 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.452 -2.177 17.689 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -15.623 -1.245 16.142 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -16.801 -0.155 15.374 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -16.991 -0.607 17.085 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.405 -3.009 12.764 1.00 0.00 N ATOM 1592 CA GLY A 102 -20.223 -3.274 11.360 1.00 0.00 C ATOM 1593 C GLY A 102 -19.736 -2.073 10.613 1.00 0.00 C ATOM 1594 O GLY A 102 -20.280 -0.977 10.771 1.00 0.00 O ATOM 0 H GLY A 102 -21.263 -2.510 12.997 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -19.510 -4.090 11.236 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.167 -3.608 10.930 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.712 -2.265 9.805 1.00 0.00 N ATOM 1599 CA CYS A 103 -18.156 -1.196 9.014 1.00 0.00 C ATOM 1600 C CYS A 103 -17.994 -1.637 7.573 1.00 0.00 C ATOM 1601 O CYS A 103 -17.353 -2.650 7.286 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.810 -0.757 9.582 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.081 0.658 8.732 1.00 0.00 S ATOM 0 H CYS A 103 -18.247 -3.164 9.682 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.842 -0.350 9.048 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -16.935 -0.509 10.636 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -16.115 -1.595 9.532 1.00 0.00 H new ATOM 0 HG CYS A 103 -15.153 1.181 9.477 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.585 -0.888 6.675 1.00 0.00 N ATOM 1610 CA VAL A 104 -18.508 -1.185 5.259 1.00 0.00 C ATOM 1611 C VAL A 104 -18.156 0.076 4.471 1.00 0.00 C ATOM 1612 O VAL A 104 -18.306 1.192 4.985 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.842 -1.779 4.724 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -20.125 -3.141 5.344 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.995 -0.827 4.987 1.00 0.00 C ATOM 0 H VAL A 104 -19.132 -0.057 6.900 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.725 -1.931 5.124 1.00 0.00 H new ATOM 0 HB VAL A 104 -19.740 -1.913 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -21.064 -3.532 4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -19.315 -3.828 5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -20.199 -3.040 6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.919 -1.261 4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -21.090 -0.658 6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.805 0.122 4.485 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.677 -0.078 3.221 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.325 1.056 2.365 1.00 0.00 C ATOM 1627 C PRO A 105 -18.547 1.885 2.004 1.00 0.00 C ATOM 1628 O PRO A 105 -19.679 1.380 2.016 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.730 0.404 1.104 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.440 -1.007 1.489 1.00 0.00 C ATOM 1631 CD PRO A 105 -17.437 -1.362 2.546 1.00 0.00 C ATOM 0 HA PRO A 105 -16.636 1.740 2.860 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.431 0.448 0.271 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.824 0.919 0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -16.530 -1.672 0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -15.422 -1.107 1.864 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -18.352 -1.769 2.117 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -17.046 -2.112 3.233 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.323 3.156 1.708 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.398 4.067 1.352 1.00 0.00 C ATOM 1641 C TYR A 106 -20.148 3.566 0.114 1.00 0.00 C ATOM 1642 O TYR A 106 -19.636 3.617 -1.007 1.00 0.00 O ATOM 1643 CB TYR A 106 -18.839 5.472 1.106 1.00 0.00 C ATOM 1644 CG TYR A 106 -19.895 6.522 0.847 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -20.518 7.178 1.902 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -20.265 6.861 -0.449 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -21.479 8.141 1.673 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -21.226 7.820 -0.686 1.00 0.00 C ATOM 1649 CZ TYR A 106 -21.829 8.456 0.374 1.00 0.00 C ATOM 1650 OH TYR A 106 -22.781 9.419 0.135 1.00 0.00 O ATOM 0 H TYR A 106 -17.396 3.582 1.708 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.103 4.109 2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.248 5.773 1.971 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.161 5.437 0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.246 6.930 2.917 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -19.792 6.365 -1.284 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -21.954 8.644 2.502 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -21.504 8.071 -1.699 1.00 0.00 H new ATOM 0 HH TYR A 106 -22.909 9.520 -0.831 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.353 3.069 0.332 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.181 2.563 -0.742 1.00 0.00 C ATOM 1662 C LYS A 107 -23.438 3.406 -0.874 1.00 0.00 C ATOM 1663 O LYS A 107 -24.169 3.592 0.098 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.546 1.097 -0.483 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.349 0.157 -0.501 1.00 0.00 C ATOM 1666 CD LYS A 107 -21.759 -1.291 -0.266 1.00 0.00 C ATOM 1667 CE LYS A 107 -22.263 -1.515 1.154 1.00 0.00 C ATOM 1668 NZ LYS A 107 -22.512 -2.951 1.426 1.00 0.00 N ATOM 0 H LYS A 107 -21.781 3.006 1.256 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.622 2.622 -1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -23.042 1.021 0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.264 0.772 -1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -20.838 0.238 -1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.637 0.462 0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -22.539 -1.567 -0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -20.908 -1.945 -0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -21.531 -1.131 1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -23.183 -0.950 1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -22.854 -3.065 2.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -23.229 -3.311 0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -21.628 -3.486 1.304 1.00 0.00 H new ATOM 1682 N HIS A 108 -23.690 3.900 -2.083 1.00 0.00 N ATOM 1683 CA HIS A 108 -24.843 4.769 -2.347 1.00 0.00 C ATOM 1684 C HIS A 108 -26.169 4.112 -1.962 1.00 0.00 C ATOM 1685 O HIS A 108 -27.042 4.761 -1.381 1.00 0.00 O ATOM 1686 CB HIS A 108 -24.872 5.236 -3.819 1.00 0.00 C ATOM 1687 CG HIS A 108 -24.758 4.143 -4.848 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -25.835 3.410 -5.298 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -23.684 3.680 -5.531 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -25.426 2.545 -6.213 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -24.124 2.689 -6.373 1.00 0.00 N ATOM 0 H HIS A 108 -23.111 3.715 -2.902 1.00 0.00 H new ATOM 0 HA HIS A 108 -24.721 5.646 -1.711 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -25.802 5.778 -3.992 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -24.057 5.943 -3.974 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -22.666 4.027 -5.431 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -26.052 1.840 -6.740 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -23.541 2.153 -7.016 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.306 2.833 -2.266 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.528 2.102 -1.954 1.00 0.00 C ATOM 1701 C GLU A 109 -27.754 2.041 -0.452 1.00 0.00 C ATOM 1702 O GLU A 109 -28.867 2.264 0.031 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.444 0.690 -2.510 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.668 -0.160 -2.237 1.00 0.00 C ATOM 1705 CD GLU A 109 -28.494 -1.571 -2.734 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -27.847 -2.376 -2.030 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -28.984 -1.881 -3.838 1.00 0.00 O ATOM 0 H GLU A 109 -25.587 2.276 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.365 2.628 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.287 0.745 -3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.570 0.196 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.868 -0.175 -1.166 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.537 0.290 -2.718 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.689 1.750 0.278 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.766 1.643 1.721 1.00 0.00 C ATOM 1716 C LEU A 110 -27.163 2.974 2.334 1.00 0.00 C ATOM 1717 O LEU A 110 -28.011 3.027 3.214 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.437 1.173 2.303 1.00 0.00 C ATOM 1719 CG LEU A 110 -25.407 0.994 3.824 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -26.412 -0.064 4.265 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -24.011 0.631 4.288 1.00 0.00 C ATOM 0 H LEU A 110 -25.760 1.584 -0.109 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.529 0.904 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -25.173 0.223 1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.665 1.890 2.024 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.688 1.941 4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -26.373 -0.174 5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -27.415 0.241 3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -26.168 -1.016 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -24.008 0.508 5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -23.702 -0.301 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.318 1.425 4.011 1.00 0.00 H new ATOM 1733 N ILE A 111 -26.565 4.047 1.837 1.00 0.00 N ATOM 1734 CA ILE A 111 -26.865 5.383 2.326 1.00 0.00 C ATOM 1735 C ILE A 111 -28.326 5.722 2.069 1.00 0.00 C ATOM 1736 O ILE A 111 -29.002 6.274 2.934 1.00 0.00 O ATOM 1737 CB ILE A 111 -25.954 6.449 1.667 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -24.474 6.091 1.871 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -26.251 7.843 2.223 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -24.050 6.019 3.325 1.00 0.00 C ATOM 0 H ILE A 111 -25.867 4.017 1.093 1.00 0.00 H new ATOM 0 HA ILE A 111 -26.674 5.392 3.399 1.00 0.00 H new ATOM 0 HB ILE A 111 -26.164 6.460 0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -24.275 5.130 1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -23.858 6.831 1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -25.598 8.573 1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -27.291 8.100 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -26.076 7.851 3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -22.993 5.761 3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -24.215 6.986 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -24.638 5.258 3.838 1.00 0.00 H new ATOM 1752 N SER A 112 -28.810 5.381 0.881 1.00 0.00 N ATOM 1753 CA SER A 112 -30.194 5.628 0.520 1.00 0.00 C ATOM 1754 C SER A 112 -31.134 4.880 1.472 1.00 0.00 C ATOM 1755 O SER A 112 -32.116 5.443 1.964 1.00 0.00 O ATOM 1756 CB SER A 112 -30.452 5.180 -0.918 1.00 0.00 C ATOM 1757 OG SER A 112 -31.648 5.750 -1.430 1.00 0.00 O ATOM 0 H SER A 112 -28.259 4.931 0.150 1.00 0.00 H new ATOM 0 HA SER A 112 -30.387 6.698 0.600 1.00 0.00 H new ATOM 0 HB2 SER A 112 -29.610 5.469 -1.548 1.00 0.00 H new ATOM 0 HB3 SER A 112 -30.520 4.093 -0.956 1.00 0.00 H new ATOM 0 HG SER A 112 -31.786 5.447 -2.352 1.00 0.00 H new ATOM 1763 N GLU A 113 -30.814 3.616 1.742 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.613 2.802 2.658 1.00 0.00 C ATOM 1765 C GLU A 113 -31.556 3.365 4.082 1.00 0.00 C ATOM 1766 O GLU A 113 -32.563 3.405 4.790 1.00 0.00 O ATOM 1767 CB GLU A 113 -31.140 1.344 2.640 1.00 0.00 C ATOM 1768 CG GLU A 113 -31.902 0.437 3.598 1.00 0.00 C ATOM 1769 CD GLU A 113 -33.380 0.341 3.268 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -33.736 0.406 2.077 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -34.196 0.207 4.207 1.00 0.00 O ATOM 0 H GLU A 113 -30.010 3.134 1.341 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.649 2.834 2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -31.239 0.952 1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -30.080 1.313 2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -31.463 -0.561 3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -31.785 0.811 4.615 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.381 3.795 4.493 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.202 4.388 5.804 1.00 0.00 C ATOM 1780 C LEU A 114 -30.986 5.696 5.923 1.00 0.00 C ATOM 1781 O LEU A 114 -31.579 5.993 6.960 1.00 0.00 O ATOM 1782 CB LEU A 114 -28.727 4.616 6.078 1.00 0.00 C ATOM 1783 CG LEU A 114 -27.879 3.348 6.169 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -26.436 3.694 6.422 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -28.404 2.411 7.250 1.00 0.00 C ATOM 0 H LEU A 114 -29.529 3.745 3.934 1.00 0.00 H new ATOM 0 HA LEU A 114 -30.591 3.697 6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -28.321 5.250 5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -28.628 5.168 7.013 1.00 0.00 H new ATOM 0 HG LEU A 114 -27.948 2.828 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -25.848 2.778 6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -26.061 4.312 5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -26.353 4.243 7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -27.781 1.518 7.291 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -28.377 2.917 8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -29.430 2.127 7.018 1.00 0.00 H new ATOM 1797 N SER A 115 -30.994 6.458 4.837 1.00 0.00 N ATOM 1798 CA SER A 115 -31.672 7.749 4.783 1.00 0.00 C ATOM 1799 C SER A 115 -33.193 7.604 4.583 1.00 0.00 C ATOM 1800 O SER A 115 -33.917 8.605 4.578 1.00 0.00 O ATOM 1801 CB SER A 115 -31.075 8.608 3.668 1.00 0.00 C ATOM 1802 OG SER A 115 -29.680 8.780 3.854 1.00 0.00 O ATOM 0 H SER A 115 -30.530 6.199 3.966 1.00 0.00 H new ATOM 0 HA SER A 115 -31.518 8.237 5.745 1.00 0.00 H new ATOM 0 HB2 SER A 115 -31.262 8.139 2.702 1.00 0.00 H new ATOM 0 HB3 SER A 115 -31.566 9.581 3.650 1.00 0.00 H new ATOM 0 HG SER A 115 -29.210 7.965 3.578 1.00 0.00 H new