USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 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 84 CYS SG : rot 176:sc= 2.06 USER MOD Set 1.2: A 87 CYS SG : rot -61:sc= -0.783! USER MOD Set 1.3: A 105 CYS SG : rot -121:sc= -0.557 USER MOD Set 1.4: A 108 CYS SG : rot 148:sc= 0.853 USER MOD Set 2.1: A 20 GLN : amide:sc= 0.525 K(o=0.52,f=-8.4!) USER MOD Set 2.2: A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0773 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.62) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00414) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 175:sc= 0.591 (180deg=0.576) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -99:sc= 1.08 USER MOD Single : A 106 GLN : amide:sc= -0.225 K(o=-0.23,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 11.637 9.550 -11.427 1.00 0.00 N ATOM 97 CA ASN A 8 12.263 10.846 -11.026 1.00 0.00 C ATOM 98 C ASN A 8 11.460 11.574 -9.914 1.00 0.00 C ATOM 99 O ASN A 8 11.286 12.794 -9.978 1.00 0.00 O ATOM 100 CB ASN A 8 12.497 11.803 -12.253 1.00 0.00 C ATOM 101 CG ASN A 8 13.338 11.230 -13.403 1.00 0.00 C ATOM 102 OD1 ASN A 8 13.129 11.592 -14.560 1.00 0.00 O ATOM 103 ND2 ASN A 8 14.297 10.362 -13.113 1.00 0.00 N ATOM 0 HA ASN A 8 13.238 10.586 -10.615 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.525 12.096 -12.651 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.981 12.711 -11.893 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.881 9.979 -13.857 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.451 10.077 -12.146 1.00 0.00 H new ATOM 110 N VAL A 9 11.013 10.817 -8.877 1.00 0.00 N ATOM 111 CA VAL A 9 10.308 11.382 -7.683 1.00 0.00 C ATOM 112 C VAL A 9 11.087 12.561 -7.051 1.00 0.00 C ATOM 113 O VAL A 9 10.498 13.598 -6.756 1.00 0.00 O ATOM 114 CB VAL A 9 10.050 10.266 -6.579 1.00 0.00 C ATOM 115 CG1 VAL A 9 9.771 10.853 -5.166 1.00 0.00 C ATOM 116 CG2 VAL A 9 8.891 9.337 -6.983 1.00 0.00 C ATOM 0 H VAL A 9 11.128 9.804 -8.840 1.00 0.00 H new ATOM 0 HA VAL A 9 9.350 11.756 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 9 10.976 9.694 -6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.604 10.039 -4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.628 11.444 -4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.886 11.488 -5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.740 8.586 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.980 9.923 -7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.131 8.844 -7.925 1.00 0.00 H new ATOM 126 N GLU A 10 12.406 12.371 -6.860 1.00 0.00 N ATOM 127 CA GLU A 10 13.286 13.359 -6.200 1.00 0.00 C ATOM 128 C GLU A 10 13.409 14.656 -7.028 1.00 0.00 C ATOM 129 O GLU A 10 13.488 15.761 -6.472 1.00 0.00 O ATOM 130 CB GLU A 10 14.679 12.732 -5.961 1.00 0.00 C ATOM 131 CG GLU A 10 15.678 13.643 -5.211 1.00 0.00 C ATOM 132 CD GLU A 10 16.952 12.911 -4.782 1.00 0.00 C ATOM 133 OE1 GLU A 10 17.923 12.871 -5.561 1.00 0.00 O ATOM 134 OE2 GLU A 10 16.971 12.348 -3.669 1.00 0.00 O ATOM 0 H GLU A 10 12.894 11.527 -7.159 1.00 0.00 H new ATOM 0 HA GLU A 10 12.840 13.629 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.555 11.809 -5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.110 12.459 -6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.947 14.483 -5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.190 14.059 -4.329 1.00 0.00 H new ATOM 141 N SER A 11 13.421 14.497 -8.357 1.00 0.00 N ATOM 142 CA SER A 11 13.464 15.620 -9.303 1.00 0.00 C ATOM 143 C SER A 11 12.155 16.426 -9.233 1.00 0.00 C ATOM 144 O SER A 11 12.171 17.661 -9.300 1.00 0.00 O ATOM 145 CB SER A 11 13.708 15.074 -10.721 1.00 0.00 C ATOM 146 OG SER A 11 14.834 14.200 -10.735 1.00 0.00 O ATOM 0 H SER A 11 13.401 13.583 -8.809 1.00 0.00 H new ATOM 0 HA SER A 11 14.280 16.294 -9.041 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.823 14.541 -11.069 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.874 15.901 -11.411 1.00 0.00 H new ATOM 0 HG SER A 11 14.974 13.861 -11.644 1.00 0.00 H new ATOM 152 N TYR A 12 11.030 15.700 -9.063 1.00 0.00 N ATOM 153 CA TYR A 12 9.701 16.300 -8.897 1.00 0.00 C ATOM 154 C TYR A 12 9.598 16.990 -7.539 1.00 0.00 C ATOM 155 O TYR A 12 8.981 18.035 -7.429 1.00 0.00 O ATOM 156 CB TYR A 12 8.585 15.240 -9.037 1.00 0.00 C ATOM 157 CG TYR A 12 8.531 14.557 -10.409 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.804 15.266 -11.587 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.203 13.212 -10.527 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.744 14.654 -12.817 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.139 12.601 -11.751 1.00 0.00 C ATOM 162 CZ TYR A 12 8.413 13.317 -12.893 1.00 0.00 C ATOM 163 OH TYR A 12 8.349 12.688 -14.112 1.00 0.00 O ATOM 0 H TYR A 12 11.024 14.680 -9.038 1.00 0.00 H new ATOM 0 HA TYR A 12 9.567 17.040 -9.686 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.726 14.478 -8.270 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.623 15.714 -8.842 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.066 16.312 -11.528 1.00 0.00 H new ATOM 0 HD2 TYR A 12 7.995 12.637 -9.637 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.954 15.215 -13.716 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.873 11.556 -11.820 1.00 0.00 H new ATOM 0 HH TYR A 12 8.103 11.748 -13.983 1.00 0.00 H new ATOM 173 N GLU A 13 10.248 16.397 -6.526 1.00 0.00 N ATOM 174 CA GLU A 13 10.213 16.870 -5.147 1.00 0.00 C ATOM 175 C GLU A 13 10.784 18.291 -5.082 1.00 0.00 C ATOM 176 O GLU A 13 10.087 19.229 -4.686 1.00 0.00 O ATOM 177 CB GLU A 13 11.023 15.876 -4.257 1.00 0.00 C ATOM 178 CG GLU A 13 10.690 15.876 -2.756 1.00 0.00 C ATOM 179 CD GLU A 13 11.111 17.141 -1.972 1.00 0.00 C ATOM 180 OE1 GLU A 13 12.281 17.571 -2.093 1.00 0.00 O ATOM 181 OE2 GLU A 13 10.278 17.707 -1.227 1.00 0.00 O ATOM 0 H GLU A 13 10.820 15.562 -6.651 1.00 0.00 H new ATOM 0 HA GLU A 13 9.189 16.908 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.867 14.868 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.083 16.101 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.614 15.742 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.169 15.011 -2.297 1.00 0.00 H new ATOM 188 N LYS A 14 12.041 18.434 -5.544 1.00 0.00 N ATOM 189 CA LYS A 14 12.764 19.705 -5.495 1.00 0.00 C ATOM 190 C LYS A 14 12.081 20.781 -6.366 1.00 0.00 C ATOM 191 O LYS A 14 11.950 21.913 -5.930 1.00 0.00 O ATOM 192 CB LYS A 14 14.250 19.541 -5.920 1.00 0.00 C ATOM 193 CG LYS A 14 14.481 19.113 -7.399 1.00 0.00 C ATOM 194 CD LYS A 14 15.818 19.629 -7.977 1.00 0.00 C ATOM 195 CE LYS A 14 15.919 21.172 -7.958 1.00 0.00 C ATOM 196 NZ LYS A 14 17.233 21.663 -8.454 1.00 0.00 N ATOM 0 H LYS A 14 12.576 17.671 -5.959 1.00 0.00 H new ATOM 0 HA LYS A 14 12.741 20.035 -4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.765 20.486 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.716 18.802 -5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.460 18.025 -7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.660 19.485 -8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.644 19.208 -7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.927 19.274 -9.002 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.122 21.593 -8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.761 21.531 -6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.250 22.702 -8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.994 21.285 -7.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.375 21.345 -9.434 1.00 0.00 H new ATOM 210 N ILE A 15 11.617 20.403 -7.586 1.00 0.00 N ATOM 211 CA ILE A 15 11.042 21.370 -8.549 1.00 0.00 C ATOM 212 C ILE A 15 9.694 21.905 -8.027 1.00 0.00 C ATOM 213 O ILE A 15 9.330 23.045 -8.296 1.00 0.00 O ATOM 214 CB ILE A 15 10.907 20.754 -10.008 1.00 0.00 C ATOM 215 CG1 ILE A 15 10.723 21.868 -11.096 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.757 19.723 -10.103 1.00 0.00 C ATOM 217 CD1 ILE A 15 10.806 21.371 -12.537 1.00 0.00 C ATOM 0 H ILE A 15 11.631 19.440 -7.922 1.00 0.00 H new ATOM 0 HA ILE A 15 11.733 22.209 -8.635 1.00 0.00 H new ATOM 0 HB ILE A 15 11.844 20.233 -10.204 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.755 22.347 -10.946 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.484 22.633 -10.945 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.704 19.330 -11.118 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.943 18.905 -9.406 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.813 20.207 -9.851 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.667 22.209 -13.220 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.783 20.919 -12.710 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.027 20.629 -12.711 1.00 0.00 H new ATOM 229 N LEU A 16 8.980 21.073 -7.239 1.00 0.00 N ATOM 230 CA LEU A 16 7.728 21.469 -6.572 1.00 0.00 C ATOM 231 C LEU A 16 8.015 22.403 -5.381 1.00 0.00 C ATOM 232 O LEU A 16 7.229 23.308 -5.113 1.00 0.00 O ATOM 233 CB LEU A 16 6.928 20.218 -6.115 1.00 0.00 C ATOM 234 CG LEU A 16 6.246 19.383 -7.246 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.559 18.117 -6.678 1.00 0.00 C ATOM 236 CD2 LEU A 16 5.259 20.250 -8.051 1.00 0.00 C ATOM 0 H LEU A 16 9.258 20.110 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 16 7.118 22.016 -7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.603 19.562 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.157 20.541 -5.416 1.00 0.00 H new ATOM 0 HG LEU A 16 7.026 19.047 -7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.095 17.559 -7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.302 17.490 -6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.796 18.410 -5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.797 19.646 -8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.486 20.635 -7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.794 21.084 -8.506 1.00 0.00 H new ATOM 248 N ARG A 17 9.137 22.167 -4.671 1.00 0.00 N ATOM 249 CA ARG A 17 9.621 23.079 -3.610 1.00 0.00 C ATOM 250 C ARG A 17 9.896 24.475 -4.219 1.00 0.00 C ATOM 251 O ARG A 17 9.409 25.477 -3.724 1.00 0.00 O ATOM 252 CB ARG A 17 10.922 22.538 -2.947 1.00 0.00 C ATOM 253 CG ARG A 17 10.824 21.129 -2.293 1.00 0.00 C ATOM 254 CD ARG A 17 10.504 21.128 -0.786 1.00 0.00 C ATOM 255 NE ARG A 17 9.089 21.409 -0.477 1.00 0.00 N ATOM 256 CZ ARG A 17 8.422 20.923 0.592 1.00 0.00 C ATOM 257 NH1 ARG A 17 9.012 20.110 1.459 1.00 0.00 N ATOM 258 NH2 ARG A 17 7.164 21.271 0.795 1.00 0.00 N ATOM 0 H ARG A 17 9.729 21.349 -4.813 1.00 0.00 H new ATOM 0 HA ARG A 17 8.851 23.148 -2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.707 22.511 -3.703 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.239 23.249 -2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.055 20.557 -2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.768 20.607 -2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.772 20.158 -0.368 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.129 21.871 -0.291 1.00 0.00 H new ATOM 0 HE ARG A 17 8.577 22.015 -1.118 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.987 19.841 1.324 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.491 19.754 2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.699 21.905 0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.658 20.906 1.601 1.00 0.00 H new ATOM 272 N ASP A 18 10.640 24.491 -5.339 1.00 0.00 N ATOM 273 CA ASP A 18 11.050 25.727 -6.043 1.00 0.00 C ATOM 274 C ASP A 18 9.825 26.480 -6.591 1.00 0.00 C ATOM 275 O ASP A 18 9.739 27.712 -6.489 1.00 0.00 O ATOM 276 CB ASP A 18 12.021 25.391 -7.211 1.00 0.00 C ATOM 277 CG ASP A 18 13.259 24.578 -6.783 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.814 24.842 -5.703 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.677 23.667 -7.527 1.00 0.00 O ATOM 0 H ASP A 18 10.979 23.640 -5.788 1.00 0.00 H new ATOM 0 HA ASP A 18 11.561 26.367 -5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.477 24.832 -7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.352 26.321 -7.674 1.00 0.00 H new ATOM 284 N ARG A 19 8.874 25.703 -7.151 1.00 0.00 N ATOM 285 CA ARG A 19 7.641 26.236 -7.758 1.00 0.00 C ATOM 286 C ARG A 19 6.742 26.864 -6.692 1.00 0.00 C ATOM 287 O ARG A 19 6.261 27.974 -6.877 1.00 0.00 O ATOM 288 CB ARG A 19 6.882 25.134 -8.586 1.00 0.00 C ATOM 289 CG ARG A 19 7.093 25.240 -10.116 1.00 0.00 C ATOM 290 CD ARG A 19 8.579 25.188 -10.526 1.00 0.00 C ATOM 291 NE ARG A 19 8.754 25.559 -11.940 1.00 0.00 N ATOM 292 CZ ARG A 19 9.487 26.591 -12.384 1.00 0.00 C ATOM 293 NH1 ARG A 19 10.209 27.327 -11.547 1.00 0.00 N ATOM 294 NH2 ARG A 19 9.483 26.893 -13.672 1.00 0.00 N ATOM 0 H ARG A 19 8.942 24.686 -7.194 1.00 0.00 H new ATOM 0 HA ARG A 19 7.923 27.021 -8.460 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.212 24.151 -8.251 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.816 25.202 -8.371 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.558 24.428 -10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.656 26.172 -10.473 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.157 25.864 -9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.970 24.184 -10.359 1.00 0.00 H new ATOM 0 HE ARG A 19 8.280 24.986 -12.638 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.212 27.111 -10.550 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.761 28.108 -11.901 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.924 26.342 -14.323 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.039 27.677 -14.014 1.00 0.00 H new ATOM 308 N GLN A 20 6.550 26.169 -5.560 1.00 0.00 N ATOM 309 CA GLN A 20 5.694 26.675 -4.477 1.00 0.00 C ATOM 310 C GLN A 20 6.334 27.918 -3.834 1.00 0.00 C ATOM 311 O GLN A 20 5.615 28.771 -3.372 1.00 0.00 O ATOM 312 CB GLN A 20 5.395 25.583 -3.408 1.00 0.00 C ATOM 313 CG GLN A 20 6.541 25.311 -2.413 1.00 0.00 C ATOM 314 CD GLN A 20 6.283 24.195 -1.398 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.213 23.538 -0.956 1.00 0.00 O ATOM 316 NE2 GLN A 20 5.036 23.972 -1.016 1.00 0.00 N ATOM 0 H GLN A 20 6.973 25.260 -5.372 1.00 0.00 H new ATOM 0 HA GLN A 20 4.736 26.957 -4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.509 25.880 -2.846 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.151 24.652 -3.920 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.439 25.063 -2.979 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.752 26.231 -1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.277 24.535 -1.400 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.834 23.238 -0.338 1.00 0.00 H new ATOM 325 N ARG A 21 7.694 28.010 -3.849 1.00 0.00 N ATOM 326 CA ARG A 21 8.451 29.143 -3.254 1.00 0.00 C ATOM 327 C ARG A 21 8.270 30.442 -4.063 1.00 0.00 C ATOM 328 O ARG A 21 8.021 31.508 -3.483 1.00 0.00 O ATOM 329 CB ARG A 21 9.971 28.807 -3.119 1.00 0.00 C ATOM 330 CG ARG A 21 10.324 27.827 -1.976 1.00 0.00 C ATOM 331 CD ARG A 21 9.964 28.386 -0.590 1.00 0.00 C ATOM 332 NE ARG A 21 10.331 27.455 0.490 1.00 0.00 N ATOM 333 CZ ARG A 21 10.244 27.720 1.801 1.00 0.00 C ATOM 334 NH1 ARG A 21 9.774 28.885 2.237 1.00 0.00 N ATOM 335 NH2 ARG A 21 10.631 26.811 2.677 1.00 0.00 N ATOM 0 H ARG A 21 8.292 27.301 -4.273 1.00 0.00 H new ATOM 0 HA ARG A 21 8.040 29.302 -2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.319 28.384 -4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.521 29.735 -2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.797 26.886 -2.133 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.391 27.604 -2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.474 29.337 -0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.894 28.588 -0.547 1.00 0.00 H new ATOM 0 HE ARG A 21 10.679 26.535 0.219 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.472 29.595 1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.715 29.069 3.239 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.993 25.914 2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.568 27.006 3.676 1.00 0.00 H new ATOM 349 N GLU A 22 8.407 30.343 -5.400 1.00 0.00 N ATOM 350 CA GLU A 22 8.224 31.504 -6.300 1.00 0.00 C ATOM 351 C GLU A 22 6.746 31.944 -6.322 1.00 0.00 C ATOM 352 O GLU A 22 6.443 33.140 -6.424 1.00 0.00 O ATOM 353 CB GLU A 22 8.755 31.202 -7.731 1.00 0.00 C ATOM 354 CG GLU A 22 8.121 29.975 -8.414 1.00 0.00 C ATOM 355 CD GLU A 22 8.672 29.681 -9.820 1.00 0.00 C ATOM 356 OE1 GLU A 22 9.914 29.686 -9.995 1.00 0.00 O ATOM 357 OE2 GLU A 22 7.870 29.461 -10.760 1.00 0.00 O ATOM 0 H GLU A 22 8.643 29.475 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 22 8.814 32.333 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.584 32.077 -8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.834 31.053 -7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.279 29.100 -7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.044 30.128 -8.483 1.00 0.00 H new ATOM 364 N LEU A 23 5.842 30.963 -6.175 1.00 0.00 N ATOM 365 CA LEU A 23 4.403 31.218 -6.053 1.00 0.00 C ATOM 366 C LEU A 23 4.056 31.777 -4.656 1.00 0.00 C ATOM 367 O LEU A 23 3.158 32.602 -4.557 1.00 0.00 O ATOM 368 CB LEU A 23 3.595 29.936 -6.360 1.00 0.00 C ATOM 369 CG LEU A 23 3.671 29.417 -7.834 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.994 28.037 -7.977 1.00 0.00 C ATOM 371 CD2 LEU A 23 3.070 30.442 -8.823 1.00 0.00 C ATOM 0 H LEU A 23 6.090 29.974 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 23 4.127 31.974 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.943 29.143 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.549 30.121 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 23 4.724 29.296 -8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.063 27.703 -9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.495 27.317 -7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.945 28.115 -7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.138 30.051 -9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.024 30.620 -8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.623 31.379 -8.757 1.00 0.00 H new ATOM 383 N TYR A 24 4.795 31.343 -3.600 1.00 0.00 N ATOM 384 CA TYR A 24 4.594 31.833 -2.211 1.00 0.00 C ATOM 385 C TYR A 24 4.794 33.353 -2.174 1.00 0.00 C ATOM 386 O TYR A 24 3.866 34.074 -1.861 1.00 0.00 O ATOM 387 CB TYR A 24 5.554 31.152 -1.163 1.00 0.00 C ATOM 388 CG TYR A 24 5.123 29.778 -0.593 1.00 0.00 C ATOM 389 CD1 TYR A 24 3.781 29.408 -0.490 1.00 0.00 C ATOM 390 CD2 TYR A 24 6.079 28.857 -0.137 1.00 0.00 C ATOM 391 CE1 TYR A 24 3.410 28.179 0.035 1.00 0.00 C ATOM 392 CE2 TYR A 24 5.709 27.629 0.385 1.00 0.00 C ATOM 393 CZ TYR A 24 4.374 27.294 0.469 1.00 0.00 C ATOM 394 OH TYR A 24 3.999 26.072 1.000 1.00 0.00 O ATOM 0 H TYR A 24 5.539 30.651 -3.687 1.00 0.00 H new ATOM 0 HA TYR A 24 3.576 31.566 -1.926 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.532 31.032 -1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.682 31.839 -0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.016 30.093 -0.826 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.127 29.112 -0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.365 27.915 0.104 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.464 26.936 0.725 1.00 0.00 H new ATOM 0 HH TYR A 24 4.799 25.567 1.256 1.00 0.00 H new ATOM 404 N ARG A 25 6.000 33.812 -2.562 1.00 0.00 N ATOM 405 CA ARG A 25 6.362 35.248 -2.557 1.00 0.00 C ATOM 406 C ARG A 25 5.410 36.070 -3.457 1.00 0.00 C ATOM 407 O ARG A 25 5.028 37.189 -3.102 1.00 0.00 O ATOM 408 CB ARG A 25 7.844 35.440 -2.995 1.00 0.00 C ATOM 409 CG ARG A 25 8.151 34.926 -4.414 1.00 0.00 C ATOM 410 CD ARG A 25 9.613 35.105 -4.831 1.00 0.00 C ATOM 411 NE ARG A 25 9.848 34.585 -6.191 1.00 0.00 N ATOM 412 CZ ARG A 25 10.984 34.726 -6.888 1.00 0.00 C ATOM 413 NH1 ARG A 25 11.973 35.483 -6.430 1.00 0.00 N ATOM 414 NH2 ARG A 25 11.112 34.134 -8.067 1.00 0.00 N ATOM 0 H ARG A 25 6.750 33.202 -2.887 1.00 0.00 H new ATOM 0 HA ARG A 25 6.254 35.618 -1.538 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.093 36.500 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.491 34.925 -2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.893 33.869 -4.471 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.513 35.449 -5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.878 36.162 -4.792 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.261 34.587 -4.124 1.00 0.00 H new ATOM 0 HE ARG A 25 9.084 34.077 -6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.874 35.966 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.832 35.582 -6.971 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.347 33.573 -8.442 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.975 34.240 -8.600 1.00 0.00 H new ATOM 428 N ARG A 26 5.015 35.462 -4.603 1.00 0.00 N ATOM 429 CA ARG A 26 4.078 36.057 -5.575 1.00 0.00 C ATOM 430 C ARG A 26 2.720 36.417 -4.927 1.00 0.00 C ATOM 431 O ARG A 26 2.293 37.572 -4.981 1.00 0.00 O ATOM 432 CB ARG A 26 3.878 35.062 -6.749 1.00 0.00 C ATOM 433 CG ARG A 26 2.798 35.444 -7.785 1.00 0.00 C ATOM 434 CD ARG A 26 2.622 34.356 -8.855 1.00 0.00 C ATOM 435 NE ARG A 26 1.506 34.641 -9.775 1.00 0.00 N ATOM 436 CZ ARG A 26 1.105 33.820 -10.757 1.00 0.00 C ATOM 437 NH1 ARG A 26 1.724 32.666 -10.967 1.00 0.00 N ATOM 438 NH2 ARG A 26 0.091 34.163 -11.538 1.00 0.00 N ATOM 0 H ARG A 26 5.344 34.536 -4.876 1.00 0.00 H new ATOM 0 HA ARG A 26 4.505 36.990 -5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.829 34.950 -7.270 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.625 34.087 -6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.849 35.610 -7.276 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.071 36.384 -8.264 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.545 34.262 -9.427 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.450 33.396 -8.367 1.00 0.00 H new ATOM 0 HE ARG A 26 1.005 35.522 -9.657 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.513 32.396 -10.379 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.411 32.049 -11.716 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.386 35.053 -11.393 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.212 33.537 -12.284 1.00 0.00 H new ATOM 452 N LEU A 27 2.057 35.424 -4.303 1.00 0.00 N ATOM 453 CA LEU A 27 0.680 35.589 -3.783 1.00 0.00 C ATOM 454 C LEU A 27 0.670 36.139 -2.349 1.00 0.00 C ATOM 455 O LEU A 27 -0.295 36.779 -1.934 1.00 0.00 O ATOM 456 CB LEU A 27 -0.125 34.264 -3.936 1.00 0.00 C ATOM 457 CG LEU A 27 0.409 32.973 -3.225 1.00 0.00 C ATOM 458 CD1 LEU A 27 -0.045 32.854 -1.753 1.00 0.00 C ATOM 459 CD2 LEU A 27 0.017 31.721 -4.025 1.00 0.00 C ATOM 0 H LEU A 27 2.451 34.497 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 27 0.173 36.342 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.136 34.448 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.204 34.046 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 27 1.495 33.056 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.359 31.939 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.319 33.713 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.134 32.826 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.395 30.833 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.069 31.662 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.447 31.779 -5.025 1.00 0.00 H new ATOM 471 N HIS A 28 1.786 35.950 -1.628 1.00 0.00 N ATOM 472 CA HIS A 28 1.975 36.496 -0.264 1.00 0.00 C ATOM 473 C HIS A 28 2.618 37.890 -0.362 1.00 0.00 C ATOM 474 O HIS A 28 3.196 38.349 0.599 1.00 0.00 O ATOM 475 CB HIS A 28 2.850 35.572 0.642 1.00 0.00 C ATOM 476 CG HIS A 28 2.195 34.295 1.100 1.00 0.00 C ATOM 477 ND1 HIS A 28 1.228 34.259 2.082 1.00 0.00 N ATOM 478 CD2 HIS A 28 2.379 33.006 0.721 1.00 0.00 C ATOM 479 CE1 HIS A 28 0.862 33.013 2.291 1.00 0.00 C ATOM 480 NE2 HIS A 28 1.546 32.233 1.479 1.00 0.00 N ATOM 0 H HIS A 28 2.585 35.416 -1.969 1.00 0.00 H new ATOM 0 HA HIS A 28 0.992 36.558 0.203 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.760 35.317 0.098 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.153 36.139 1.522 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.059 32.655 -0.041 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.124 32.684 3.008 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.467 31.218 1.425 1.00 0.00 H new ATOM 932 N LEU A 58 -4.301 36.780 -1.834 1.00 0.00 N ATOM 933 CA LEU A 58 -3.326 35.821 -2.352 1.00 0.00 C ATOM 934 C LEU A 58 -3.381 35.777 -3.896 1.00 0.00 C ATOM 935 O LEU A 58 -2.475 36.271 -4.567 1.00 0.00 O ATOM 936 CB LEU A 58 -3.555 34.418 -1.727 1.00 0.00 C ATOM 937 CG LEU A 58 -3.540 34.346 -0.161 1.00 0.00 C ATOM 938 CD1 LEU A 58 -3.728 32.891 0.338 1.00 0.00 C ATOM 939 CD2 LEU A 58 -2.261 34.992 0.437 1.00 0.00 C ATOM 0 HA LEU A 58 -2.326 36.146 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.515 34.039 -2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.788 33.744 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.388 34.930 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.713 32.875 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.683 32.505 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.920 32.268 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.291 34.920 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.381 34.469 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.212 36.041 0.144 1.00 0.00 H new ATOM 951 N GLY A 59 -4.461 35.227 -4.450 1.00 0.00 N ATOM 952 CA GLY A 59 -4.598 35.055 -5.905 1.00 0.00 C ATOM 953 C GLY A 59 -4.936 33.610 -6.250 1.00 0.00 C ATOM 954 O GLY A 59 -4.106 32.721 -6.039 1.00 0.00 O ATOM 0 H GLY A 59 -5.261 34.890 -3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.379 35.716 -6.282 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.670 35.344 -6.399 1.00 0.00 H new ATOM 958 N GLN A 60 -6.149 33.405 -6.798 1.00 0.00 N ATOM 959 CA GLN A 60 -6.770 32.083 -7.027 1.00 0.00 C ATOM 960 C GLN A 60 -5.840 31.087 -7.752 1.00 0.00 C ATOM 961 O GLN A 60 -5.626 29.986 -7.258 1.00 0.00 O ATOM 962 CB GLN A 60 -8.080 32.264 -7.832 1.00 0.00 C ATOM 963 CG GLN A 60 -9.133 33.179 -7.165 1.00 0.00 C ATOM 964 CD GLN A 60 -10.319 33.475 -8.088 1.00 0.00 C ATOM 965 OE1 GLN A 60 -11.325 32.766 -8.085 1.00 0.00 O ATOM 966 NE2 GLN A 60 -10.206 34.537 -8.875 1.00 0.00 N ATOM 0 H GLN A 60 -6.743 34.176 -7.103 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.977 31.653 -6.047 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -7.834 32.673 -8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.525 31.283 -7.998 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -9.496 32.706 -6.253 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.662 34.117 -6.872 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.357 35.102 -8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.968 34.789 -9.504 1.00 0.00 H new ATOM 975 N VAL A 61 -5.281 31.506 -8.909 1.00 0.00 N ATOM 976 CA VAL A 61 -4.389 30.655 -9.737 1.00 0.00 C ATOM 977 C VAL A 61 -3.216 30.066 -8.917 1.00 0.00 C ATOM 978 O VAL A 61 -2.906 28.869 -9.018 1.00 0.00 O ATOM 979 CB VAL A 61 -3.854 31.440 -11.001 1.00 0.00 C ATOM 980 CG1 VAL A 61 -3.095 32.735 -10.612 1.00 0.00 C ATOM 981 CG2 VAL A 61 -2.994 30.519 -11.917 1.00 0.00 C ATOM 0 H VAL A 61 -5.432 32.438 -9.296 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.992 29.817 -10.087 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.726 31.753 -11.575 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.748 33.238 -11.514 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.764 33.397 -10.062 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.240 32.481 -9.986 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.641 31.088 -12.777 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.139 30.143 -11.355 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.599 29.680 -12.261 1.00 0.00 H new ATOM 991 N GLY A 62 -2.623 30.916 -8.061 1.00 0.00 N ATOM 992 CA GLY A 62 -1.511 30.521 -7.211 1.00 0.00 C ATOM 993 C GLY A 62 -1.961 29.654 -6.046 1.00 0.00 C ATOM 994 O GLY A 62 -1.220 28.790 -5.609 1.00 0.00 O ATOM 0 H GLY A 62 -2.907 31.889 -7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.777 29.977 -7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.014 31.412 -6.828 1.00 0.00 H new ATOM 998 N GLN A 63 -3.183 29.906 -5.543 1.00 0.00 N ATOM 999 CA GLN A 63 -3.764 29.173 -4.401 1.00 0.00 C ATOM 1000 C GLN A 63 -4.076 27.710 -4.771 1.00 0.00 C ATOM 1001 O GLN A 63 -3.768 26.796 -4.004 1.00 0.00 O ATOM 1002 CB GLN A 63 -5.045 29.891 -3.907 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.794 31.221 -3.170 1.00 0.00 C ATOM 1004 CD GLN A 63 -6.083 31.885 -2.675 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -6.683 32.695 -3.375 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -6.512 31.536 -1.471 1.00 0.00 N ATOM 0 H GLN A 63 -3.799 30.627 -5.918 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.028 29.161 -3.597 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.691 30.082 -4.764 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.588 29.220 -3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.136 31.040 -2.320 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.272 31.907 -3.837 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.986 30.859 -0.919 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.368 31.944 -1.097 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.701 27.514 -5.948 1.00 0.00 N ATOM 1016 CA ASP A 64 -5.016 26.174 -6.494 1.00 0.00 C ATOM 1017 C ASP A 64 -3.713 25.421 -6.799 1.00 0.00 C ATOM 1018 O ASP A 64 -3.634 24.200 -6.615 1.00 0.00 O ATOM 1019 CB ASP A 64 -5.878 26.274 -7.791 1.00 0.00 C ATOM 1020 CG ASP A 64 -7.308 26.804 -7.563 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -8.217 26.000 -7.270 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -7.540 28.022 -7.692 1.00 0.00 O ATOM 0 H ASP A 64 -5.003 28.280 -6.550 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.593 25.632 -5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.370 26.926 -8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.938 25.287 -8.251 1.00 0.00 H new ATOM 1027 N GLU A 65 -2.702 26.184 -7.278 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.362 25.653 -7.576 1.00 0.00 C ATOM 1029 C GLU A 65 -0.681 25.155 -6.287 1.00 0.00 C ATOM 1030 O GLU A 65 -0.179 24.044 -6.261 1.00 0.00 O ATOM 1031 CB GLU A 65 -0.475 26.723 -8.309 1.00 0.00 C ATOM 1032 CG GLU A 65 0.098 26.266 -9.670 1.00 0.00 C ATOM 1033 CD GLU A 65 -0.998 26.028 -10.723 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -1.423 27.004 -11.377 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -1.444 24.873 -10.900 1.00 0.00 O ATOM 0 H GLU A 65 -2.798 27.182 -7.466 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.475 24.805 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.070 27.623 -8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.353 26.998 -7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.794 27.020 -10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.668 25.348 -9.530 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.704 25.993 -5.230 1.00 0.00 N ATOM 1043 CA LEU A 66 -0.138 25.668 -3.894 1.00 0.00 C ATOM 1044 C LEU A 66 -0.781 24.398 -3.330 1.00 0.00 C ATOM 1045 O LEU A 66 -0.097 23.512 -2.843 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.363 26.860 -2.902 1.00 0.00 C ATOM 1047 CG LEU A 66 0.843 27.818 -2.647 1.00 0.00 C ATOM 1048 CD1 LEU A 66 1.476 28.318 -3.958 1.00 0.00 C ATOM 1049 CD2 LEU A 66 0.393 28.992 -1.743 1.00 0.00 C ATOM 0 H LEU A 66 -1.119 26.924 -5.275 1.00 0.00 H new ATOM 0 HA LEU A 66 0.932 25.498 -4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.195 27.457 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.674 26.446 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 66 1.622 27.257 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.310 28.981 -3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.836 27.467 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.730 28.861 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.237 29.659 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.409 29.543 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.034 28.601 -0.791 1.00 0.00 H new ATOM 1061 N ARG A 67 -2.114 24.347 -3.420 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.911 23.233 -2.900 1.00 0.00 C ATOM 1063 C ARG A 67 -2.544 21.922 -3.624 1.00 0.00 C ATOM 1064 O ARG A 67 -2.468 20.870 -3.001 1.00 0.00 O ATOM 1065 CB ARG A 67 -4.418 23.566 -3.045 1.00 0.00 C ATOM 1066 CG ARG A 67 -5.375 22.564 -2.364 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.835 23.034 -2.414 1.00 0.00 C ATOM 1068 NE ARG A 67 -7.743 22.092 -1.750 1.00 0.00 N ATOM 1069 CZ ARG A 67 -9.064 22.269 -1.611 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -9.658 23.381 -2.040 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -9.783 21.328 -1.024 1.00 0.00 N ATOM 0 H ARG A 67 -2.672 25.080 -3.857 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.692 23.089 -1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.598 24.557 -2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.663 23.616 -4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.290 21.593 -2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.075 22.425 -1.325 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.917 24.011 -1.939 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.140 23.159 -3.453 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.338 21.238 -1.365 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.106 24.116 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.665 23.498 -1.926 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.331 20.479 -0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.789 21.451 -0.912 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.272 22.036 -4.935 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.885 20.905 -5.798 1.00 0.00 C ATOM 1087 C ALA A 68 -0.425 20.461 -5.533 1.00 0.00 C ATOM 1088 O ALA A 68 -0.130 19.260 -5.519 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.076 21.309 -7.272 1.00 0.00 C ATOM 0 H ALA A 68 -2.315 22.926 -5.432 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.524 20.052 -5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.792 20.478 -7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.121 21.563 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.450 22.173 -7.497 1.00 0.00 H new ATOM 1095 N ILE A 69 0.472 21.448 -5.312 1.00 0.00 N ATOM 1096 CA ILE A 69 1.918 21.215 -5.112 1.00 0.00 C ATOM 1097 C ILE A 69 2.175 20.601 -3.726 1.00 0.00 C ATOM 1098 O ILE A 69 2.798 19.551 -3.625 1.00 0.00 O ATOM 1099 CB ILE A 69 2.744 22.553 -5.298 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.711 23.030 -6.791 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.201 22.402 -4.814 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.355 24.384 -7.053 1.00 0.00 C ATOM 0 H ILE A 69 0.211 22.433 -5.267 1.00 0.00 H new ATOM 0 HA ILE A 69 2.256 20.509 -5.871 1.00 0.00 H new ATOM 0 HB ILE A 69 2.266 23.312 -4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.212 22.282 -7.406 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.673 23.070 -7.120 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.732 23.343 -4.960 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.208 22.142 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.694 21.615 -5.384 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.281 24.623 -8.114 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.842 25.150 -6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.405 24.350 -6.762 1.00 0.00 H new ATOM 1114 N ASP A 70 1.684 21.287 -2.676 1.00 0.00 N ATOM 1115 CA ASP A 70 1.766 20.824 -1.271 1.00 0.00 C ATOM 1116 C ASP A 70 1.059 19.468 -1.073 1.00 0.00 C ATOM 1117 O ASP A 70 1.462 18.690 -0.199 1.00 0.00 O ATOM 1118 CB ASP A 70 1.179 21.897 -0.302 1.00 0.00 C ATOM 1119 CG ASP A 70 2.120 23.103 -0.100 1.00 0.00 C ATOM 1120 OD1 ASP A 70 2.069 24.073 -0.894 1.00 0.00 O ATOM 1121 OD2 ASP A 70 2.931 23.081 0.858 1.00 0.00 O ATOM 0 H ASP A 70 1.214 22.187 -2.777 1.00 0.00 H new ATOM 0 HA ASP A 70 2.821 20.681 -1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.224 22.249 -0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.977 21.435 0.664 1.00 0.00 H new ATOM 1126 N ALA A 71 0.004 19.201 -1.882 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.656 17.879 -1.919 1.00 0.00 C ATOM 1128 C ALA A 71 0.318 16.812 -2.431 1.00 0.00 C ATOM 1129 O ALA A 71 0.536 15.801 -1.768 1.00 0.00 O ATOM 1130 CB ALA A 71 -1.916 17.906 -2.800 1.00 0.00 C ATOM 0 H ALA A 71 -0.406 19.886 -2.517 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.959 17.630 -0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.377 16.918 -2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.623 18.634 -2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.642 18.184 -3.818 1.00 0.00 H new ATOM 1136 N ALA A 72 0.923 17.088 -3.603 1.00 0.00 N ATOM 1137 CA ALA A 72 1.862 16.173 -4.281 1.00 0.00 C ATOM 1138 C ALA A 72 3.102 15.890 -3.411 1.00 0.00 C ATOM 1139 O ALA A 72 3.541 14.751 -3.325 1.00 0.00 O ATOM 1140 CB ALA A 72 2.271 16.758 -5.640 1.00 0.00 C ATOM 0 H ALA A 72 0.772 17.960 -4.110 1.00 0.00 H new ATOM 0 HA ALA A 72 1.356 15.221 -4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.964 16.078 -6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.385 16.889 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.755 17.723 -5.490 1.00 0.00 H new ATOM 1146 N LEU A 73 3.603 16.942 -2.742 1.00 0.00 N ATOM 1147 CA LEU A 73 4.772 16.885 -1.833 1.00 0.00 C ATOM 1148 C LEU A 73 4.462 16.071 -0.567 1.00 0.00 C ATOM 1149 O LEU A 73 5.327 15.348 -0.063 1.00 0.00 O ATOM 1150 CB LEU A 73 5.218 18.327 -1.467 1.00 0.00 C ATOM 1151 CG LEU A 73 5.950 19.105 -2.602 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.091 20.602 -2.265 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.329 18.467 -2.900 1.00 0.00 C ATOM 0 H LEU A 73 3.202 17.877 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 73 5.587 16.378 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.339 18.897 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.876 18.277 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 73 5.339 19.033 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.606 21.111 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.102 21.040 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.665 20.715 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.824 19.025 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.944 18.494 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.191 17.432 -3.214 1.00 0.00 H new ATOM 1165 N ALA A 74 3.218 16.203 -0.069 1.00 0.00 N ATOM 1166 CA ALA A 74 2.712 15.393 1.059 1.00 0.00 C ATOM 1167 C ALA A 74 2.642 13.909 0.661 1.00 0.00 C ATOM 1168 O ALA A 74 2.868 13.029 1.487 1.00 0.00 O ATOM 1169 CB ALA A 74 1.336 15.901 1.528 1.00 0.00 C ATOM 0 H ALA A 74 2.538 16.870 -0.434 1.00 0.00 H new ATOM 0 HA ALA A 74 3.406 15.494 1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.986 15.288 2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.422 16.938 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.625 15.837 0.705 1.00 0.00 H new ATOM 1175 N ARG A 75 2.350 13.659 -0.631 1.00 0.00 N ATOM 1176 CA ARG A 75 2.278 12.300 -1.195 1.00 0.00 C ATOM 1177 C ARG A 75 3.676 11.747 -1.509 1.00 0.00 C ATOM 1178 O ARG A 75 3.857 10.536 -1.510 1.00 0.00 O ATOM 1179 CB ARG A 75 1.361 12.278 -2.449 1.00 0.00 C ATOM 1180 CG ARG A 75 -0.074 12.747 -2.140 1.00 0.00 C ATOM 1181 CD ARG A 75 -1.062 12.622 -3.314 1.00 0.00 C ATOM 1182 NE ARG A 75 -2.388 13.186 -2.970 1.00 0.00 N ATOM 1183 CZ ARG A 75 -3.239 12.689 -2.046 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -2.931 11.611 -1.321 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -4.401 13.291 -1.838 1.00 0.00 N ATOM 0 H ARG A 75 2.158 14.395 -1.311 1.00 0.00 H new ATOM 0 HA ARG A 75 1.837 11.645 -0.444 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.790 12.917 -3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.330 11.267 -2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.457 12.169 -1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.040 13.789 -1.822 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.660 13.139 -4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.172 11.573 -3.588 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.684 14.022 -3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.035 11.143 -1.459 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.591 11.256 -0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.647 14.123 -2.374 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.049 12.922 -1.142 1.00 0.00 H new ATOM 1199 N ILE A 76 4.662 12.633 -1.763 1.00 0.00 N ATOM 1200 CA ILE A 76 6.065 12.222 -1.986 1.00 0.00 C ATOM 1201 C ILE A 76 6.675 11.748 -0.660 1.00 0.00 C ATOM 1202 O ILE A 76 7.238 10.652 -0.585 1.00 0.00 O ATOM 1203 CB ILE A 76 6.943 13.376 -2.613 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.425 13.751 -4.036 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.434 12.965 -2.671 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.063 14.974 -4.668 1.00 0.00 C ATOM 0 H ILE A 76 4.512 13.640 -1.819 1.00 0.00 H new ATOM 0 HA ILE A 76 6.060 11.405 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 76 6.855 14.253 -1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.584 12.899 -4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.349 13.914 -3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.018 13.776 -3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.794 12.759 -1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.541 12.070 -3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.629 15.142 -5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.882 15.845 -4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.137 14.814 -4.767 1.00 0.00 H new ATOM 1218 N ALA A 77 6.512 12.578 0.384 1.00 0.00 N ATOM 1219 CA ALA A 77 6.996 12.283 1.743 1.00 0.00 C ATOM 1220 C ALA A 77 6.241 11.080 2.354 1.00 0.00 C ATOM 1221 O ALA A 77 6.796 10.352 3.184 1.00 0.00 O ATOM 1222 CB ALA A 77 6.882 13.539 2.622 1.00 0.00 C ATOM 0 H ALA A 77 6.038 13.478 0.308 1.00 0.00 H new ATOM 0 HA ALA A 77 8.048 12.001 1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.242 13.314 3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.483 14.340 2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.840 13.855 2.672 1.00 0.00 H new ATOM 1228 N SER A 78 4.976 10.876 1.912 1.00 0.00 N ATOM 1229 CA SER A 78 4.173 9.688 2.264 1.00 0.00 C ATOM 1230 C SER A 78 4.650 8.456 1.471 1.00 0.00 C ATOM 1231 O SER A 78 4.634 7.331 1.980 1.00 0.00 O ATOM 1232 CB SER A 78 2.673 9.951 1.995 1.00 0.00 C ATOM 1233 OG SER A 78 1.866 8.870 2.425 1.00 0.00 O ATOM 0 H SER A 78 4.488 11.532 1.302 1.00 0.00 H new ATOM 0 HA SER A 78 4.307 9.487 3.327 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.365 10.862 2.509 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.518 10.119 0.929 1.00 0.00 H new ATOM 0 HG SER A 78 0.925 9.071 2.241 1.00 0.00 H new ATOM 1239 N GLY A 79 5.089 8.698 0.225 1.00 0.00 N ATOM 1240 CA GLY A 79 5.499 7.635 -0.698 1.00 0.00 C ATOM 1241 C GLY A 79 4.353 7.122 -1.572 1.00 0.00 C ATOM 1242 O GLY A 79 4.522 6.137 -2.297 1.00 0.00 O ATOM 0 H GLY A 79 5.168 9.636 -0.167 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.298 8.007 -1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.911 6.804 -0.125 1.00 0.00 H new ATOM 1246 N THR A 80 3.186 7.804 -1.509 1.00 0.00 N ATOM 1247 CA THR A 80 1.993 7.467 -2.320 1.00 0.00 C ATOM 1248 C THR A 80 1.921 8.371 -3.584 1.00 0.00 C ATOM 1249 O THR A 80 0.915 8.397 -4.291 1.00 0.00 O ATOM 1250 CB THR A 80 0.675 7.572 -1.462 1.00 0.00 C ATOM 1251 OG1 THR A 80 -0.443 7.024 -2.181 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.348 9.019 -1.048 1.00 0.00 C ATOM 0 H THR A 80 3.045 8.605 -0.893 1.00 0.00 H new ATOM 0 HA THR A 80 2.084 6.432 -2.650 1.00 0.00 H new ATOM 0 HB THR A 80 0.855 6.996 -0.554 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.252 7.096 -1.633 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.569 9.031 -0.460 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.167 9.421 -0.451 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.215 9.631 -1.940 1.00 0.00 H new ATOM 1260 N PHE A 81 3.011 9.123 -3.852 1.00 0.00 N ATOM 1261 CA PHE A 81 3.175 9.882 -5.100 1.00 0.00 C ATOM 1262 C PHE A 81 3.267 8.912 -6.297 1.00 0.00 C ATOM 1263 O PHE A 81 3.989 7.911 -6.235 1.00 0.00 O ATOM 1264 CB PHE A 81 4.435 10.766 -5.018 1.00 0.00 C ATOM 1265 CG PHE A 81 4.651 11.675 -6.227 1.00 0.00 C ATOM 1266 CD1 PHE A 81 3.870 12.818 -6.400 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.627 11.393 -7.181 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.068 13.648 -7.480 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.819 12.226 -8.259 1.00 0.00 C ATOM 1270 CZ PHE A 81 5.041 13.354 -8.412 1.00 0.00 C ATOM 0 H PHE A 81 3.796 9.217 -3.208 1.00 0.00 H new ATOM 0 HA PHE A 81 2.309 10.528 -5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.373 11.383 -4.122 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.308 10.123 -4.902 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.102 13.054 -5.679 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.240 10.510 -7.073 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.459 14.532 -7.598 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.582 11.996 -8.988 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.193 14.006 -9.260 1.00 0.00 H new ATOM 1280 N GLY A 82 2.565 9.253 -7.384 1.00 0.00 N ATOM 1281 CA GLY A 82 2.366 8.338 -8.505 1.00 0.00 C ATOM 1282 C GLY A 82 1.132 7.460 -8.311 1.00 0.00 C ATOM 1283 O GLY A 82 0.949 6.482 -9.034 1.00 0.00 O ATOM 0 H GLY A 82 2.124 10.164 -7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.263 8.910 -9.427 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.247 7.706 -8.619 1.00 0.00 H new ATOM 1287 N THR A 83 0.280 7.829 -7.323 1.00 0.00 N ATOM 1288 CA THR A 83 -1.008 7.163 -7.062 1.00 0.00 C ATOM 1289 C THR A 83 -2.145 8.206 -7.068 1.00 0.00 C ATOM 1290 O THR A 83 -2.131 9.173 -6.293 1.00 0.00 O ATOM 1291 CB THR A 83 -0.996 6.403 -5.690 1.00 0.00 C ATOM 1292 OG1 THR A 83 0.074 5.445 -5.678 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.336 5.701 -5.388 1.00 0.00 C ATOM 0 H THR A 83 0.473 8.601 -6.685 1.00 0.00 H new ATOM 0 HA THR A 83 -1.173 6.430 -7.852 1.00 0.00 H new ATOM 0 HB THR A 83 -0.843 7.147 -4.908 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.081 4.973 -4.819 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.271 5.191 -4.427 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.135 6.442 -5.353 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.550 4.974 -6.171 1.00 0.00 H new ATOM 1301 N CYS A 84 -3.095 8.010 -7.988 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.351 8.756 -8.040 1.00 0.00 C ATOM 1303 C CYS A 84 -5.310 8.229 -6.970 1.00 0.00 C ATOM 1304 O CYS A 84 -6.060 7.274 -7.208 1.00 0.00 O ATOM 1305 CB CYS A 84 -4.984 8.619 -9.428 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.523 9.557 -9.641 1.00 0.00 S ATOM 0 H CYS A 84 -3.008 7.315 -8.730 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.149 9.810 -7.849 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.264 8.949 -10.177 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.185 7.565 -9.621 1.00 0.00 H new ATOM 0 HG CYS A 84 -6.938 9.438 -10.867 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.255 8.857 -5.791 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.067 8.479 -4.613 1.00 0.00 C ATOM 1313 C VAL A 85 -7.584 8.677 -4.861 1.00 0.00 C ATOM 1314 O VAL A 85 -8.414 8.068 -4.182 1.00 0.00 O ATOM 1315 CB VAL A 85 -5.607 9.295 -3.350 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -4.101 9.055 -3.058 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -5.922 10.806 -3.513 1.00 0.00 C ATOM 0 H VAL A 85 -4.640 9.652 -5.618 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.905 7.416 -4.433 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.173 8.937 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.805 9.629 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.931 7.994 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.509 9.373 -3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.593 11.344 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.399 11.194 -4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.996 10.942 -3.642 1.00 0.00 H new ATOM 1327 N LYS A 86 -7.916 9.515 -5.866 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.308 9.842 -6.242 1.00 0.00 C ATOM 1329 C LYS A 86 -10.058 8.608 -6.814 1.00 0.00 C ATOM 1330 O LYS A 86 -11.293 8.557 -6.798 1.00 0.00 O ATOM 1331 CB LYS A 86 -9.307 11.015 -7.267 1.00 0.00 C ATOM 1332 CG LYS A 86 -10.657 11.759 -7.395 1.00 0.00 C ATOM 1333 CD LYS A 86 -10.636 12.887 -8.459 1.00 0.00 C ATOM 1334 CE LYS A 86 -11.867 13.804 -8.384 1.00 0.00 C ATOM 1335 NZ LYS A 86 -13.142 13.070 -8.559 1.00 0.00 N ATOM 0 H LYS A 86 -7.220 9.987 -6.444 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.843 10.148 -5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.538 11.732 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.028 10.625 -8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.437 11.042 -7.651 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.922 12.186 -6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.735 13.486 -8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.581 12.441 -9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.876 14.314 -7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.788 14.574 -9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.936 13.742 -8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.136 12.576 -9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.251 12.376 -7.792 1.00 0.00 H new ATOM 1349 N CYS A 87 -9.289 7.621 -7.327 1.00 0.00 N ATOM 1350 CA CYS A 87 -9.857 6.354 -7.850 1.00 0.00 C ATOM 1351 C CYS A 87 -9.015 5.132 -7.412 1.00 0.00 C ATOM 1352 O CYS A 87 -9.250 4.017 -7.888 1.00 0.00 O ATOM 1353 CB CYS A 87 -9.994 6.426 -9.393 1.00 0.00 C ATOM 1354 SG CYS A 87 -8.428 6.573 -10.312 1.00 0.00 S ATOM 0 H CYS A 87 -8.272 7.676 -7.391 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.852 6.223 -7.424 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -10.514 5.532 -9.736 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -10.625 7.278 -9.645 1.00 0.00 H new ATOM 0 HG CYS A 87 -7.827 7.674 -9.972 1.00 0.00 H new ATOM 1359 N GLY A 88 -8.054 5.354 -6.479 1.00 0.00 N ATOM 1360 CA GLY A 88 -7.170 4.287 -5.956 1.00 0.00 C ATOM 1361 C GLY A 88 -6.245 3.663 -7.011 1.00 0.00 C ATOM 1362 O GLY A 88 -5.739 2.554 -6.822 1.00 0.00 O ATOM 0 H GLY A 88 -7.873 6.272 -6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.560 4.698 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.787 3.501 -5.519 1.00 0.00 H new ATOM 1366 N LYS A 89 -6.028 4.393 -8.122 1.00 0.00 N ATOM 1367 CA LYS A 89 -5.228 3.927 -9.279 1.00 0.00 C ATOM 1368 C LYS A 89 -3.871 4.652 -9.327 1.00 0.00 C ATOM 1369 O LYS A 89 -3.526 5.382 -8.406 1.00 0.00 O ATOM 1370 CB LYS A 89 -6.042 4.163 -10.590 1.00 0.00 C ATOM 1371 CG LYS A 89 -7.337 3.314 -10.709 1.00 0.00 C ATOM 1372 CD LYS A 89 -7.059 1.803 -10.894 1.00 0.00 C ATOM 1373 CE LYS A 89 -6.364 1.489 -12.236 1.00 0.00 C ATOM 1374 NZ LYS A 89 -6.020 0.047 -12.364 1.00 0.00 N ATOM 0 H LYS A 89 -6.405 5.332 -8.246 1.00 0.00 H new ATOM 0 HA LYS A 89 -5.024 2.861 -9.176 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.308 5.218 -10.652 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.401 3.945 -11.444 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.942 3.459 -9.814 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.924 3.675 -11.553 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.435 1.449 -10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.999 1.255 -10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.017 1.780 -13.059 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.457 2.087 -12.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.555 -0.119 -13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.376 -0.226 -11.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.888 -0.523 -12.308 1.00 0.00 H new ATOM 1388 N ARG A 90 -3.107 4.413 -10.401 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.803 5.067 -10.665 1.00 0.00 C ATOM 1390 C ARG A 90 -1.970 6.450 -11.337 1.00 0.00 C ATOM 1391 O ARG A 90 -3.057 6.804 -11.816 1.00 0.00 O ATOM 1392 CB ARG A 90 -0.934 4.141 -11.581 1.00 0.00 C ATOM 1393 CG ARG A 90 -0.237 2.968 -10.854 1.00 0.00 C ATOM 1394 CD ARG A 90 1.015 3.416 -10.079 1.00 0.00 C ATOM 1395 NE ARG A 90 2.029 3.997 -10.985 1.00 0.00 N ATOM 1396 CZ ARG A 90 3.292 4.298 -10.655 1.00 0.00 C ATOM 1397 NH1 ARG A 90 3.739 4.137 -9.412 1.00 0.00 N ATOM 1398 NH2 ARG A 90 4.108 4.776 -11.585 1.00 0.00 N ATOM 0 H ARG A 90 -3.376 3.750 -11.128 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.310 5.225 -9.706 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.570 3.734 -12.368 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.173 4.750 -12.069 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.941 2.503 -10.164 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.044 2.208 -11.583 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.735 4.151 -9.325 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.442 2.564 -9.550 1.00 0.00 H new ATOM 0 HE ARG A 90 1.742 4.185 -11.945 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.116 3.778 -8.689 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.705 4.373 -9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.772 4.910 -12.538 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.072 5.009 -11.347 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.883 7.240 -11.299 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.667 8.374 -12.225 1.00 0.00 C ATOM 1414 C ILE A 91 0.325 7.878 -13.298 1.00 0.00 C ATOM 1415 O ILE A 91 1.251 7.119 -12.970 1.00 0.00 O ATOM 1416 CB ILE A 91 -0.034 9.663 -11.542 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.659 9.981 -10.146 1.00 0.00 C ATOM 1418 CG2 ILE A 91 -0.169 10.891 -12.486 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.044 10.565 -10.174 1.00 0.00 C ATOM 0 H ILE A 91 -0.127 7.113 -10.626 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.639 8.675 -12.616 1.00 0.00 H new ATOM 0 HB ILE A 91 1.020 9.445 -11.372 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.683 9.062 -9.560 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.001 10.675 -9.623 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.268 11.768 -12.008 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.353 10.690 -13.421 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.223 11.078 -12.692 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.383 10.747 -9.154 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.031 11.505 -10.726 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.724 9.867 -10.662 1.00 0.00 H new ATOM 1431 N SER A 92 0.146 8.309 -14.551 1.00 0.00 N ATOM 1432 CA SER A 92 1.102 8.018 -15.634 1.00 0.00 C ATOM 1433 C SER A 92 2.394 8.831 -15.400 1.00 0.00 C ATOM 1434 O SER A 92 2.314 9.975 -14.952 1.00 0.00 O ATOM 1435 CB SER A 92 0.459 8.378 -16.999 1.00 0.00 C ATOM 1436 OG SER A 92 -0.826 7.788 -17.129 1.00 0.00 O ATOM 0 H SER A 92 -0.657 8.865 -14.845 1.00 0.00 H new ATOM 0 HA SER A 92 1.353 6.957 -15.641 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.377 9.461 -17.092 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.103 8.037 -17.809 1.00 0.00 H new ATOM 0 HG SER A 92 -1.211 8.031 -17.997 1.00 0.00 H new ATOM 1442 N GLU A 93 3.576 8.233 -15.668 1.00 0.00 N ATOM 1443 CA GLU A 93 4.869 8.954 -15.586 1.00 0.00 C ATOM 1444 C GLU A 93 4.886 10.129 -16.586 1.00 0.00 C ATOM 1445 O GLU A 93 5.427 11.196 -16.290 1.00 0.00 O ATOM 1446 CB GLU A 93 6.061 8.001 -15.857 1.00 0.00 C ATOM 1447 CG GLU A 93 7.455 8.666 -15.748 1.00 0.00 C ATOM 1448 CD GLU A 93 8.603 7.738 -16.187 1.00 0.00 C ATOM 1449 OE1 GLU A 93 8.879 6.742 -15.485 1.00 0.00 O ATOM 1450 OE2 GLU A 93 9.225 7.992 -17.246 1.00 0.00 O ATOM 0 H GLU A 93 3.663 7.255 -15.943 1.00 0.00 H new ATOM 0 HA GLU A 93 4.975 9.345 -14.574 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.013 7.171 -15.152 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.952 7.578 -16.856 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.470 9.567 -16.361 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.622 8.978 -14.717 1.00 0.00 H new ATOM 1457 N ASP A 94 4.250 9.901 -17.754 1.00 0.00 N ATOM 1458 CA ASP A 94 4.060 10.920 -18.810 1.00 0.00 C ATOM 1459 C ASP A 94 3.294 12.132 -18.252 1.00 0.00 C ATOM 1460 O ASP A 94 3.632 13.285 -18.541 1.00 0.00 O ATOM 1461 CB ASP A 94 3.285 10.315 -20.012 1.00 0.00 C ATOM 1462 CG ASP A 94 3.932 9.034 -20.560 1.00 0.00 C ATOM 1463 OD1 ASP A 94 3.674 7.944 -19.999 1.00 0.00 O ATOM 1464 OD2 ASP A 94 4.703 9.102 -21.544 1.00 0.00 O ATOM 0 H ASP A 94 3.849 8.994 -17.994 1.00 0.00 H new ATOM 0 HA ASP A 94 5.042 11.248 -19.152 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.262 10.096 -19.705 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.227 11.056 -20.809 1.00 0.00 H new ATOM 1469 N ARG A 95 2.277 11.832 -17.428 1.00 0.00 N ATOM 1470 CA ARG A 95 1.466 12.843 -16.742 1.00 0.00 C ATOM 1471 C ARG A 95 2.300 13.575 -15.668 1.00 0.00 C ATOM 1472 O ARG A 95 2.192 14.782 -15.535 1.00 0.00 O ATOM 1473 CB ARG A 95 0.209 12.180 -16.097 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.779 13.158 -15.397 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.776 13.856 -16.348 1.00 0.00 C ATOM 1476 NE ARG A 95 -1.117 14.636 -17.425 1.00 0.00 N ATOM 1477 CZ ARG A 95 -1.448 15.878 -17.818 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -2.452 16.535 -17.247 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -0.771 16.453 -18.802 1.00 0.00 N ATOM 0 H ARG A 95 1.995 10.874 -17.220 1.00 0.00 H new ATOM 0 HA ARG A 95 1.136 13.577 -17.477 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.332 11.637 -16.872 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.543 11.443 -15.366 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.341 12.607 -14.643 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.204 13.920 -14.872 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.424 13.104 -16.799 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.415 14.521 -15.767 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.341 14.188 -17.912 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.987 16.097 -16.497 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.688 17.477 -17.559 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.006 15.953 -19.255 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.015 17.395 -19.107 1.00 0.00 H new ATOM 1493 N LEU A 96 3.144 12.818 -14.939 1.00 0.00 N ATOM 1494 CA LEU A 96 3.970 13.342 -13.823 1.00 0.00 C ATOM 1495 C LEU A 96 5.083 14.286 -14.313 1.00 0.00 C ATOM 1496 O LEU A 96 5.441 15.240 -13.632 1.00 0.00 O ATOM 1497 CB LEU A 96 4.590 12.169 -13.018 1.00 0.00 C ATOM 1498 CG LEU A 96 3.586 11.300 -12.203 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.265 10.048 -11.609 1.00 0.00 C ATOM 1500 CD2 LEU A 96 2.887 12.141 -11.105 1.00 0.00 C ATOM 0 H LEU A 96 3.275 11.820 -15.105 1.00 0.00 H new ATOM 0 HA LEU A 96 3.309 13.921 -13.179 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.124 11.519 -13.712 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.330 12.577 -12.330 1.00 0.00 H new ATOM 0 HG LEU A 96 2.819 10.950 -12.894 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.532 9.468 -11.048 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.671 9.437 -12.415 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.072 10.353 -10.943 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.192 11.510 -10.551 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.636 12.542 -10.422 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.341 12.963 -11.568 1.00 0.00 H new ATOM 1512 N LYS A 97 5.641 13.997 -15.491 1.00 0.00 N ATOM 1513 CA LYS A 97 6.715 14.815 -16.084 1.00 0.00 C ATOM 1514 C LYS A 97 6.119 16.057 -16.774 1.00 0.00 C ATOM 1515 O LYS A 97 6.781 17.091 -16.891 1.00 0.00 O ATOM 1516 CB LYS A 97 7.582 13.957 -17.046 1.00 0.00 C ATOM 1517 CG LYS A 97 6.905 13.553 -18.374 1.00 0.00 C ATOM 1518 CD LYS A 97 7.738 12.529 -19.180 1.00 0.00 C ATOM 1519 CE LYS A 97 7.974 11.218 -18.416 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.796 10.251 -19.183 1.00 0.00 N ATOM 0 H LYS A 97 5.367 13.197 -16.061 1.00 0.00 H new ATOM 0 HA LYS A 97 7.376 15.172 -15.295 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.492 14.510 -17.277 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.884 13.050 -16.522 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.923 13.130 -18.163 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.745 14.444 -18.981 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.227 12.310 -20.118 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.700 12.972 -19.437 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.467 11.437 -17.469 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.013 10.763 -18.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.996 9.420 -18.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.278 9.953 -20.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.691 10.701 -19.462 1.00 0.00 H new ATOM 1534 N ALA A 98 4.857 15.928 -17.223 1.00 0.00 N ATOM 1535 CA ALA A 98 4.084 17.035 -17.819 1.00 0.00 C ATOM 1536 C ALA A 98 3.510 17.962 -16.724 1.00 0.00 C ATOM 1537 O ALA A 98 3.308 19.156 -16.956 1.00 0.00 O ATOM 1538 CB ALA A 98 2.958 16.461 -18.692 1.00 0.00 C ATOM 0 H ALA A 98 4.342 15.049 -17.183 1.00 0.00 H new ATOM 0 HA ALA A 98 4.748 17.634 -18.441 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.387 17.278 -19.132 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.388 15.850 -19.486 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.299 15.847 -18.078 1.00 0.00 H new ATOM 1544 N VAL A 99 3.242 17.376 -15.542 1.00 0.00 N ATOM 1545 CA VAL A 99 2.689 18.070 -14.364 1.00 0.00 C ATOM 1546 C VAL A 99 2.860 17.157 -13.114 1.00 0.00 C ATOM 1547 O VAL A 99 2.120 16.193 -12.942 1.00 0.00 O ATOM 1548 CB VAL A 99 1.172 18.506 -14.569 1.00 0.00 C ATOM 1549 CG1 VAL A 99 0.291 17.368 -15.141 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.565 19.070 -13.261 1.00 0.00 C ATOM 0 H VAL A 99 3.408 16.383 -15.376 1.00 0.00 H new ATOM 0 HA VAL A 99 3.243 18.997 -14.216 1.00 0.00 H new ATOM 0 HB VAL A 99 1.182 19.301 -15.314 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.732 17.724 -15.259 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.681 17.058 -16.110 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.303 16.520 -14.457 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.472 19.358 -13.436 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.603 18.307 -12.483 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.135 19.942 -12.942 1.00 0.00 H new ATOM 1560 N PRO A 100 3.903 17.401 -12.255 1.00 0.00 N ATOM 1561 CA PRO A 100 4.136 16.595 -11.025 1.00 0.00 C ATOM 1562 C PRO A 100 3.205 16.968 -9.855 1.00 0.00 C ATOM 1563 O PRO A 100 3.126 16.236 -8.873 1.00 0.00 O ATOM 1564 CB PRO A 100 5.615 16.902 -10.691 1.00 0.00 C ATOM 1565 CG PRO A 100 5.839 18.288 -11.208 1.00 0.00 C ATOM 1566 CD PRO A 100 4.965 18.426 -12.442 1.00 0.00 C ATOM 0 HA PRO A 100 3.926 15.538 -11.185 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.799 16.845 -9.618 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.286 16.188 -11.168 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.572 19.032 -10.457 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.889 18.447 -11.455 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.542 19.428 -12.520 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.534 18.248 -13.355 1.00 0.00 H new ATOM 1574 N TYR A 101 2.506 18.108 -9.968 1.00 0.00 N ATOM 1575 CA TYR A 101 1.590 18.590 -8.910 1.00 0.00 C ATOM 1576 C TYR A 101 0.143 18.155 -9.164 1.00 0.00 C ATOM 1577 O TYR A 101 -0.785 18.758 -8.623 1.00 0.00 O ATOM 1578 CB TYR A 101 1.708 20.132 -8.723 1.00 0.00 C ATOM 1579 CG TYR A 101 1.634 20.986 -10.000 1.00 0.00 C ATOM 1580 CD1 TYR A 101 2.784 21.249 -10.751 1.00 0.00 C ATOM 1581 CD2 TYR A 101 0.427 21.531 -10.449 1.00 0.00 C ATOM 1582 CE1 TYR A 101 2.732 22.014 -11.891 1.00 0.00 C ATOM 1583 CE2 TYR A 101 0.377 22.299 -11.594 1.00 0.00 C ATOM 1584 CZ TYR A 101 1.530 22.535 -12.311 1.00 0.00 C ATOM 1585 OH TYR A 101 1.477 23.289 -13.458 1.00 0.00 O ATOM 0 H TYR A 101 2.555 18.719 -10.783 1.00 0.00 H new ATOM 0 HA TYR A 101 1.897 18.122 -7.975 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.914 20.456 -8.050 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.654 20.344 -8.225 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.731 20.843 -10.429 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.479 21.348 -9.891 1.00 0.00 H new ATOM 0 HE1 TYR A 101 3.632 22.206 -12.456 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.563 22.714 -11.927 1.00 0.00 H new ATOM 0 HH TYR A 101 0.555 23.581 -13.615 1.00 0.00 H new ATOM 1595 N THR A 102 -0.058 17.090 -9.959 1.00 0.00 N ATOM 1596 CA THR A 102 -1.390 16.494 -10.137 1.00 0.00 C ATOM 1597 C THR A 102 -1.544 15.262 -9.192 1.00 0.00 C ATOM 1598 O THR A 102 -0.824 14.261 -9.328 1.00 0.00 O ATOM 1599 CB THR A 102 -1.681 16.130 -11.640 1.00 0.00 C ATOM 1600 OG1 THR A 102 -3.047 15.700 -11.786 1.00 0.00 O ATOM 1601 CG2 THR A 102 -0.732 15.054 -12.209 1.00 0.00 C ATOM 0 H THR A 102 0.683 16.627 -10.486 1.00 0.00 H new ATOM 0 HA THR A 102 -2.140 17.236 -9.862 1.00 0.00 H new ATOM 0 HB THR A 102 -1.504 17.038 -12.216 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.082 14.721 -11.795 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.991 14.853 -13.249 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.297 15.410 -12.154 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.831 14.138 -11.627 1.00 0.00 H new ATOM 1609 N PRO A 103 -2.442 15.341 -8.153 1.00 0.00 N ATOM 1610 CA PRO A 103 -2.791 14.173 -7.306 1.00 0.00 C ATOM 1611 C PRO A 103 -3.796 13.224 -8.010 1.00 0.00 C ATOM 1612 O PRO A 103 -4.137 12.154 -7.482 1.00 0.00 O ATOM 1613 CB PRO A 103 -3.404 14.844 -6.045 1.00 0.00 C ATOM 1614 CG PRO A 103 -4.026 16.112 -6.551 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.145 16.581 -7.694 1.00 0.00 C ATOM 0 HA PRO A 103 -1.939 13.532 -7.081 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.146 14.199 -5.575 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -2.640 15.050 -5.295 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.047 15.938 -6.891 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.077 16.864 -5.763 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -3.736 17.023 -8.496 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -2.437 17.341 -7.364 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.264 13.634 -9.209 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.276 12.904 -9.990 1.00 0.00 C ATOM 1625 C PHE A 104 -4.657 12.391 -11.305 1.00 0.00 C ATOM 1626 O PHE A 104 -3.774 13.031 -11.874 1.00 0.00 O ATOM 1627 CB PHE A 104 -6.488 13.832 -10.297 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.004 14.640 -9.096 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -7.209 14.039 -7.847 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -7.273 16.002 -9.216 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -7.655 14.777 -6.766 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -7.720 16.740 -8.135 1.00 0.00 C ATOM 1633 CZ PHE A 104 -7.918 16.127 -6.911 1.00 0.00 C ATOM 0 H PHE A 104 -3.944 14.490 -9.663 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.625 12.052 -9.407 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.205 14.526 -11.088 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.305 13.223 -10.684 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.016 12.983 -7.727 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.130 16.489 -10.169 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.798 14.299 -5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -7.915 17.796 -8.247 1.00 0.00 H new ATOM 0 HZ PHE A 104 -8.277 16.702 -6.070 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.111 11.219 -11.770 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.692 10.645 -13.067 1.00 0.00 C ATOM 1645 C CYS A 105 -5.409 11.410 -14.185 1.00 0.00 C ATOM 1646 O CYS A 105 -6.423 12.047 -13.905 1.00 0.00 O ATOM 1647 CB CYS A 105 -5.017 9.127 -13.118 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.798 8.698 -13.133 1.00 0.00 S ATOM 0 H CYS A 105 -5.779 10.639 -11.262 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.614 10.746 -13.196 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.552 8.704 -14.009 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.553 8.645 -12.257 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.073 7.950 -12.106 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.902 11.342 -15.440 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.462 12.129 -16.579 1.00 0.00 C ATOM 1655 C GLN A 106 -6.970 11.844 -16.788 1.00 0.00 C ATOM 1656 O GLN A 106 -7.734 12.724 -17.202 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.661 11.850 -17.880 1.00 0.00 C ATOM 1658 CG GLN A 106 -5.147 12.641 -19.127 1.00 0.00 C ATOM 1659 CD GLN A 106 -5.201 14.168 -18.923 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -4.419 14.746 -18.174 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -6.138 14.825 -19.579 1.00 0.00 N ATOM 0 H GLN A 106 -4.109 10.754 -15.694 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.364 13.186 -16.330 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.612 12.088 -17.702 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.713 10.784 -18.100 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.485 12.420 -19.964 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.140 12.287 -19.404 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.776 14.323 -20.196 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.224 15.835 -19.469 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.362 10.614 -16.436 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.744 10.131 -16.483 1.00 0.00 C ATOM 1672 C GLU A 107 -9.629 10.977 -15.535 1.00 0.00 C ATOM 1673 O GLU A 107 -10.661 11.504 -15.948 1.00 0.00 O ATOM 1674 CB GLU A 107 -8.809 8.607 -16.105 1.00 0.00 C ATOM 1675 CG GLU A 107 -7.860 7.660 -16.911 1.00 0.00 C ATOM 1676 CD GLU A 107 -6.401 7.588 -16.373 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -6.125 6.754 -15.478 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -5.534 8.377 -16.818 1.00 0.00 O ATOM 0 H GLU A 107 -6.706 9.908 -16.101 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.124 10.239 -17.499 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.576 8.506 -15.045 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.834 8.263 -16.241 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.284 6.656 -16.908 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.834 7.992 -17.949 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.157 11.142 -14.276 1.00 0.00 N ATOM 1686 CA CYS A 108 -9.837 11.972 -13.253 1.00 0.00 C ATOM 1687 C CYS A 108 -9.741 13.472 -13.583 1.00 0.00 C ATOM 1688 O CYS A 108 -10.689 14.201 -13.337 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.278 11.711 -11.831 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.679 10.087 -11.154 1.00 0.00 S ATOM 0 H CYS A 108 -8.298 10.705 -13.942 1.00 0.00 H new ATOM 0 HA CYS A 108 -10.887 11.679 -13.268 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.194 11.823 -11.855 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.663 12.476 -11.157 1.00 0.00 H new ATOM 0 HG CYS A 108 -8.708 9.684 -10.390 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.591 13.906 -14.149 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.346 15.314 -14.542 1.00 0.00 C ATOM 1697 C ALA A 109 -9.359 15.773 -15.611 1.00 0.00 C ATOM 1698 O ALA A 109 -9.771 16.939 -15.632 1.00 0.00 O ATOM 1699 CB ALA A 109 -6.899 15.488 -15.044 1.00 0.00 C ATOM 0 H ALA A 109 -7.804 13.288 -14.347 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.482 15.944 -13.663 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -6.735 16.527 -15.329 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.203 15.215 -14.251 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.734 14.845 -15.908 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.750 14.828 -16.482 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.772 15.042 -17.518 1.00 0.00 C ATOM 1707 C ALA A 110 -12.195 14.876 -16.940 1.00 0.00 C ATOM 1708 O ALA A 110 -13.146 15.497 -17.425 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.540 14.059 -18.684 1.00 0.00 C ATOM 0 H ALA A 110 -9.361 13.885 -16.486 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.685 16.063 -17.888 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.298 14.219 -19.451 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.551 14.227 -19.111 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.607 13.035 -18.316 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.318 14.031 -15.893 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.615 13.650 -15.280 1.00 0.00 C ATOM 1717 C ALA A 111 -13.853 14.339 -13.914 1.00 0.00 C ATOM 1718 O ALA A 111 -14.617 13.825 -13.093 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.665 12.120 -15.127 1.00 0.00 C ATOM 0 H ALA A 111 -11.515 13.589 -15.444 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.413 13.990 -15.940 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.615 11.830 -14.677 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.570 11.653 -16.107 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.846 11.791 -14.488 1.00 0.00 H new