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 -132:sc= 1.29 USER MOD Set 1.2: A 87 CYS SG : rot 136:sc= 0.694 USER MOD Set 1.3: A 105 CYS SG : rot -42:sc= -1.28! USER MOD Set 1.4: A 108 CYS SG : rot 147:sc= -0.0207 USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 0.522 USER MOD Set 2.2: A 83 THR OG1 : rot 155:sc= 0.565 USER MOD Set 3.1: A 8 ASN : amide:sc= -0.0681 X(o=-0.14,f=0.21) USER MOD Set 3.2: A 11 SER OG : rot 180:sc= -0.0741 USER MOD Single : A 12 TYR OH : rot 165:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= -1.16! (180deg=-2.44!) USER MOD Single : A 20 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.49) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 63 GLN : amide:sc= -2.9! C(o=-2.9!,f=-3.2!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 161:sc= 0.25 (180deg=0.132) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -101:sc= 0.993 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 10.960 8.818 -11.384 1.00 0.00 N ATOM 97 CA ASN A 8 11.949 9.308 -10.399 1.00 0.00 C ATOM 98 C ASN A 8 11.361 10.458 -9.557 1.00 0.00 C ATOM 99 O ASN A 8 11.323 11.613 -10.005 1.00 0.00 O ATOM 100 CB ASN A 8 13.261 9.744 -11.116 1.00 0.00 C ATOM 101 CG ASN A 8 14.350 10.278 -10.167 1.00 0.00 C ATOM 102 OD1 ASN A 8 14.431 9.903 -8.995 1.00 0.00 O ATOM 103 ND2 ASN A 8 15.215 11.138 -10.671 1.00 0.00 N ATOM 0 HA ASN A 8 12.193 8.493 -9.718 1.00 0.00 H new ATOM 0 HB2 ASN A 8 13.661 8.893 -11.668 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.023 10.515 -11.848 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.968 11.505 -10.089 1.00 0.00 H new ATOM 0 HD22 ASN A 8 15.131 11.436 -11.643 1.00 0.00 H new ATOM 110 N VAL A 9 10.915 10.109 -8.331 1.00 0.00 N ATOM 111 CA VAL A 9 10.214 11.029 -7.414 1.00 0.00 C ATOM 112 C VAL A 9 11.072 12.262 -7.060 1.00 0.00 C ATOM 113 O VAL A 9 10.526 13.355 -6.926 1.00 0.00 O ATOM 114 CB VAL A 9 9.787 10.299 -6.080 1.00 0.00 C ATOM 115 CG1 VAL A 9 9.045 11.248 -5.110 1.00 0.00 C ATOM 116 CG2 VAL A 9 8.929 9.045 -6.356 1.00 0.00 C ATOM 0 H VAL A 9 11.033 9.171 -7.948 1.00 0.00 H new ATOM 0 HA VAL A 9 9.323 11.365 -7.944 1.00 0.00 H new ATOM 0 HB VAL A 9 10.713 9.980 -5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.771 10.703 -4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.696 12.082 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.144 11.629 -5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.658 8.574 -5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.024 9.334 -6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.499 8.340 -6.962 1.00 0.00 H new ATOM 126 N GLU A 10 12.412 12.073 -6.931 1.00 0.00 N ATOM 127 CA GLU A 10 13.351 13.141 -6.487 1.00 0.00 C ATOM 128 C GLU A 10 13.260 14.390 -7.391 1.00 0.00 C ATOM 129 O GLU A 10 13.238 15.529 -6.893 1.00 0.00 O ATOM 130 CB GLU A 10 14.813 12.612 -6.465 1.00 0.00 C ATOM 131 CG GLU A 10 15.843 13.636 -5.918 1.00 0.00 C ATOM 132 CD GLU A 10 17.304 13.178 -6.058 1.00 0.00 C ATOM 133 OE1 GLU A 10 17.917 13.441 -7.115 1.00 0.00 O ATOM 134 OE2 GLU A 10 17.843 12.544 -5.122 1.00 0.00 O ATOM 0 H GLU A 10 12.870 11.184 -7.130 1.00 0.00 H new ATOM 0 HA GLU A 10 13.059 13.430 -5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.853 11.709 -5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.101 12.326 -7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.716 14.582 -6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.630 13.825 -4.866 1.00 0.00 H new ATOM 141 N SER A 11 13.198 14.145 -8.716 1.00 0.00 N ATOM 142 CA SER A 11 13.076 15.201 -9.739 1.00 0.00 C ATOM 143 C SER A 11 11.815 16.046 -9.503 1.00 0.00 C ATOM 144 O SER A 11 11.851 17.282 -9.565 1.00 0.00 O ATOM 145 CB SER A 11 13.021 14.560 -11.145 1.00 0.00 C ATOM 146 OG SER A 11 14.126 13.703 -11.354 1.00 0.00 O ATOM 0 H SER A 11 13.231 13.204 -9.107 1.00 0.00 H new ATOM 0 HA SER A 11 13.946 15.854 -9.669 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.094 13.998 -11.256 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.013 15.341 -11.905 1.00 0.00 H new ATOM 0 HG SER A 11 14.069 13.308 -12.249 1.00 0.00 H new ATOM 152 N TYR A 12 10.714 15.340 -9.202 1.00 0.00 N ATOM 153 CA TYR A 12 9.394 15.941 -9.009 1.00 0.00 C ATOM 154 C TYR A 12 9.316 16.670 -7.672 1.00 0.00 C ATOM 155 O TYR A 12 8.734 17.739 -7.597 1.00 0.00 O ATOM 156 CB TYR A 12 8.294 14.865 -9.136 1.00 0.00 C ATOM 157 CG TYR A 12 8.352 14.122 -10.484 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.271 14.823 -11.692 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.493 12.738 -10.557 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.341 14.171 -12.904 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.562 12.088 -11.771 1.00 0.00 C ATOM 162 CZ TYR A 12 8.478 12.803 -12.939 1.00 0.00 C ATOM 163 OH TYR A 12 8.534 12.148 -14.152 1.00 0.00 O ATOM 0 H TYR A 12 10.720 14.327 -9.086 1.00 0.00 H new ATOM 0 HA TYR A 12 9.231 16.683 -9.790 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.397 14.146 -8.323 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.316 15.334 -9.024 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.151 15.896 -11.674 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.549 12.163 -9.645 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.288 14.733 -13.825 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.682 11.015 -11.803 1.00 0.00 H new ATOM 0 HH TYR A 12 8.868 11.237 -14.017 1.00 0.00 H new ATOM 173 N GLU A 13 9.960 16.097 -6.648 1.00 0.00 N ATOM 174 CA GLU A 13 9.973 16.610 -5.275 1.00 0.00 C ATOM 175 C GLU A 13 10.522 18.050 -5.242 1.00 0.00 C ATOM 176 O GLU A 13 9.889 18.971 -4.695 1.00 0.00 O ATOM 177 CB GLU A 13 10.854 15.634 -4.424 1.00 0.00 C ATOM 178 CG GLU A 13 10.644 15.664 -2.896 1.00 0.00 C ATOM 179 CD GLU A 13 11.155 16.937 -2.195 1.00 0.00 C ATOM 180 OE1 GLU A 13 12.359 17.243 -2.329 1.00 0.00 O ATOM 181 OE2 GLU A 13 10.359 17.634 -1.522 1.00 0.00 O ATOM 0 H GLU A 13 10.501 15.239 -6.756 1.00 0.00 H new ATOM 0 HA GLU A 13 8.965 16.653 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.670 14.618 -4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.902 15.856 -4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.580 15.555 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.144 14.800 -2.458 1.00 0.00 H new ATOM 188 N LYS A 14 11.700 18.230 -5.866 1.00 0.00 N ATOM 189 CA LYS A 14 12.386 19.521 -5.887 1.00 0.00 C ATOM 190 C LYS A 14 11.660 20.533 -6.792 1.00 0.00 C ATOM 191 O LYS A 14 11.529 21.687 -6.398 1.00 0.00 O ATOM 192 CB LYS A 14 13.871 19.383 -6.302 1.00 0.00 C ATOM 193 CG LYS A 14 14.124 18.793 -7.707 1.00 0.00 C ATOM 194 CD LYS A 14 15.548 19.096 -8.247 1.00 0.00 C ATOM 195 CE LYS A 14 15.708 20.531 -8.812 1.00 0.00 C ATOM 196 NZ LYS A 14 15.497 21.612 -7.804 1.00 0.00 N ATOM 0 H LYS A 14 12.194 17.489 -6.363 1.00 0.00 H new ATOM 0 HA LYS A 14 12.364 19.903 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.335 20.368 -6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.377 18.755 -5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.977 17.714 -7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.386 19.194 -8.401 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.270 18.948 -7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.791 18.378 -9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.707 20.634 -9.235 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.000 20.669 -9.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.075 22.439 -8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.493 21.883 -7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.776 21.268 -6.863 1.00 0.00 H new ATOM 210 N ILE A 15 11.185 20.104 -7.998 1.00 0.00 N ATOM 211 CA ILE A 15 10.510 21.022 -8.957 1.00 0.00 C ATOM 212 C ILE A 15 9.149 21.498 -8.394 1.00 0.00 C ATOM 213 O ILE A 15 8.688 22.597 -8.713 1.00 0.00 O ATOM 214 CB ILE A 15 10.339 20.397 -10.406 1.00 0.00 C ATOM 215 CG1 ILE A 15 9.942 21.493 -11.460 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.313 19.241 -10.416 1.00 0.00 C ATOM 217 CD1 ILE A 15 9.715 20.978 -12.878 1.00 0.00 C ATOM 0 H ILE A 15 11.257 19.140 -8.324 1.00 0.00 H new ATOM 0 HA ILE A 15 11.166 21.885 -9.073 1.00 0.00 H new ATOM 0 HB ILE A 15 11.308 19.986 -10.688 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.032 21.988 -11.120 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.726 22.250 -11.487 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.225 18.841 -11.426 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.646 18.453 -9.741 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.342 19.613 -10.088 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.446 21.810 -13.529 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.628 20.510 -13.246 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.908 20.245 -12.874 1.00 0.00 H new ATOM 229 N LEU A 16 8.522 20.654 -7.546 1.00 0.00 N ATOM 230 CA LEU A 16 7.301 21.016 -6.796 1.00 0.00 C ATOM 231 C LEU A 16 7.592 22.167 -5.835 1.00 0.00 C ATOM 232 O LEU A 16 6.829 23.139 -5.776 1.00 0.00 O ATOM 233 CB LEU A 16 6.751 19.791 -6.007 1.00 0.00 C ATOM 234 CG LEU A 16 5.973 18.736 -6.846 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.640 17.472 -6.021 1.00 0.00 C ATOM 236 CD2 LEU A 16 4.711 19.363 -7.456 1.00 0.00 C ATOM 0 H LEU A 16 8.848 19.705 -7.363 1.00 0.00 H new ATOM 0 HA LEU A 16 6.544 21.333 -7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.588 19.293 -5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.093 20.157 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 16 6.621 18.412 -7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.097 16.763 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.564 17.013 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.024 17.748 -5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.178 18.613 -8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.065 19.729 -6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.994 20.193 -8.103 1.00 0.00 H new ATOM 248 N ARG A 17 8.702 22.035 -5.083 1.00 0.00 N ATOM 249 CA ARG A 17 9.167 23.088 -4.170 1.00 0.00 C ATOM 250 C ARG A 17 9.528 24.376 -4.940 1.00 0.00 C ATOM 251 O ARG A 17 9.146 25.457 -4.517 1.00 0.00 O ATOM 252 CB ARG A 17 10.360 22.591 -3.307 1.00 0.00 C ATOM 253 CG ARG A 17 9.964 21.566 -2.215 1.00 0.00 C ATOM 254 CD ARG A 17 11.148 21.156 -1.313 1.00 0.00 C ATOM 255 NE ARG A 17 12.089 20.256 -2.004 1.00 0.00 N ATOM 256 CZ ARG A 17 13.363 20.526 -2.317 1.00 0.00 C ATOM 257 NH1 ARG A 17 13.872 21.738 -2.150 1.00 0.00 N ATOM 258 NH2 ARG A 17 14.119 19.567 -2.821 1.00 0.00 N ATOM 0 H ARG A 17 9.293 21.204 -5.093 1.00 0.00 H new ATOM 0 HA ARG A 17 8.347 23.330 -3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.105 22.139 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.833 23.450 -2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.173 21.990 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.553 20.676 -2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.678 22.050 -0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.767 20.663 -0.418 1.00 0.00 H new ATOM 0 HE ARG A 17 11.735 19.337 -2.270 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.291 22.488 -1.776 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.845 21.921 -2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.731 18.635 -2.967 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.091 19.758 -3.064 1.00 0.00 H new ATOM 272 N ASP A 18 10.215 24.243 -6.093 1.00 0.00 N ATOM 273 CA ASP A 18 10.593 25.399 -6.944 1.00 0.00 C ATOM 274 C ASP A 18 9.331 26.156 -7.405 1.00 0.00 C ATOM 275 O ASP A 18 9.250 27.388 -7.291 1.00 0.00 O ATOM 276 CB ASP A 18 11.433 24.941 -8.179 1.00 0.00 C ATOM 277 CG ASP A 18 12.804 24.321 -7.816 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.546 24.921 -7.009 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.152 23.232 -8.340 1.00 0.00 O ATOM 0 H ASP A 18 10.523 23.343 -6.461 1.00 0.00 H new ATOM 0 HA ASP A 18 11.211 26.070 -6.348 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.856 24.212 -8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.595 25.798 -8.832 1.00 0.00 H new ATOM 284 N ARG A 19 8.327 25.371 -7.853 1.00 0.00 N ATOM 285 CA ARG A 19 7.051 25.889 -8.389 1.00 0.00 C ATOM 286 C ARG A 19 6.216 26.576 -7.304 1.00 0.00 C ATOM 287 O ARG A 19 5.644 27.638 -7.551 1.00 0.00 O ATOM 288 CB ARG A 19 6.225 24.746 -9.094 1.00 0.00 C ATOM 289 CG ARG A 19 6.342 24.726 -10.639 1.00 0.00 C ATOM 290 CD ARG A 19 7.798 24.698 -11.138 1.00 0.00 C ATOM 291 NE ARG A 19 7.865 24.797 -12.604 1.00 0.00 N ATOM 292 CZ ARG A 19 8.428 25.801 -13.298 1.00 0.00 C ATOM 293 NH1 ARG A 19 8.990 26.823 -12.674 1.00 0.00 N ATOM 294 NH2 ARG A 19 8.405 25.779 -14.615 1.00 0.00 N ATOM 0 H ARG A 19 8.381 24.352 -7.852 1.00 0.00 H new ATOM 0 HA ARG A 19 7.298 26.642 -9.138 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.556 23.783 -8.705 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.175 24.855 -8.823 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.816 23.853 -11.025 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.842 25.605 -11.046 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.353 25.522 -10.690 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.278 23.776 -10.812 1.00 0.00 H new ATOM 0 HE ARG A 19 7.448 24.037 -13.141 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.000 26.855 -11.655 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.414 27.579 -13.212 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.961 25.002 -15.104 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.831 26.539 -15.145 1.00 0.00 H new ATOM 308 N GLN A 20 6.155 25.981 -6.101 1.00 0.00 N ATOM 309 CA GLN A 20 5.288 26.499 -5.033 1.00 0.00 C ATOM 310 C GLN A 20 5.841 27.813 -4.484 1.00 0.00 C ATOM 311 O GLN A 20 5.062 28.695 -4.180 1.00 0.00 O ATOM 312 CB GLN A 20 5.065 25.472 -3.883 1.00 0.00 C ATOM 313 CG GLN A 20 6.250 25.272 -2.916 1.00 0.00 C ATOM 314 CD GLN A 20 5.992 24.273 -1.778 1.00 0.00 C ATOM 315 OE1 GLN A 20 6.916 23.616 -1.305 1.00 0.00 O ATOM 316 NE2 GLN A 20 4.741 24.151 -1.321 1.00 0.00 N ATOM 0 H GLN A 20 6.690 25.150 -5.847 1.00 0.00 H new ATOM 0 HA GLN A 20 4.311 26.682 -5.481 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.198 25.788 -3.303 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.817 24.508 -4.327 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.114 24.934 -3.488 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.513 26.236 -2.481 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.992 24.708 -1.731 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.536 23.501 -0.562 1.00 0.00 H new ATOM 325 N ARG A 21 7.188 27.937 -4.405 1.00 0.00 N ATOM 326 CA ARG A 21 7.853 29.089 -3.763 1.00 0.00 C ATOM 327 C ARG A 21 7.806 30.339 -4.643 1.00 0.00 C ATOM 328 O ARG A 21 7.633 31.451 -4.127 1.00 0.00 O ATOM 329 CB ARG A 21 9.313 28.762 -3.396 1.00 0.00 C ATOM 330 CG ARG A 21 9.462 27.617 -2.371 1.00 0.00 C ATOM 331 CD ARG A 21 10.839 27.615 -1.720 1.00 0.00 C ATOM 332 NE ARG A 21 11.044 28.867 -0.980 1.00 0.00 N ATOM 333 CZ ARG A 21 12.069 29.139 -0.187 1.00 0.00 C ATOM 334 NH1 ARG A 21 13.010 28.243 0.047 1.00 0.00 N ATOM 335 NH2 ARG A 21 12.126 30.320 0.398 1.00 0.00 N ATOM 0 H ARG A 21 7.836 27.246 -4.782 1.00 0.00 H new ATOM 0 HA ARG A 21 7.299 29.297 -2.847 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.854 28.496 -4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.785 29.659 -2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.696 27.716 -1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.293 26.661 -2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.930 26.764 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.611 27.502 -2.481 1.00 0.00 H new ATOM 0 HE ARG A 21 10.334 29.591 -1.086 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.956 27.321 -0.386 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.791 28.473 0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.388 31.005 0.236 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.908 30.548 1.012 1.00 0.00 H new ATOM 349 N GLU A 22 7.991 30.154 -5.965 1.00 0.00 N ATOM 350 CA GLU A 22 7.854 31.265 -6.931 1.00 0.00 C ATOM 351 C GLU A 22 6.394 31.778 -6.939 1.00 0.00 C ATOM 352 O GLU A 22 6.153 32.992 -6.950 1.00 0.00 O ATOM 353 CB GLU A 22 8.338 30.841 -8.349 1.00 0.00 C ATOM 354 CG GLU A 22 7.550 29.694 -9.005 1.00 0.00 C ATOM 355 CD GLU A 22 8.181 29.178 -10.309 1.00 0.00 C ATOM 356 OE1 GLU A 22 9.076 28.310 -10.248 1.00 0.00 O ATOM 357 OE2 GLU A 22 7.788 29.650 -11.404 1.00 0.00 O ATOM 0 H GLU A 22 8.233 29.257 -6.386 1.00 0.00 H new ATOM 0 HA GLU A 22 8.496 32.088 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.292 31.711 -9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.386 30.547 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.471 28.868 -8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.535 30.034 -9.212 1.00 0.00 H new ATOM 364 N LEU A 23 5.434 30.834 -6.861 1.00 0.00 N ATOM 365 CA LEU A 23 3.998 31.156 -6.769 1.00 0.00 C ATOM 366 C LEU A 23 3.634 31.712 -5.381 1.00 0.00 C ATOM 367 O LEU A 23 2.712 32.520 -5.275 1.00 0.00 O ATOM 368 CB LEU A 23 3.137 29.910 -7.087 1.00 0.00 C ATOM 369 CG LEU A 23 3.204 29.377 -8.552 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.456 28.030 -8.700 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.667 30.428 -9.548 1.00 0.00 C ATOM 0 H LEU A 23 5.632 29.833 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 23 3.787 31.928 -7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.439 29.106 -6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.098 30.144 -6.856 1.00 0.00 H new ATOM 0 HG LEU A 23 4.252 29.195 -8.790 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.523 27.688 -9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.909 27.288 -8.042 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.409 28.164 -8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.725 30.032 -10.562 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.629 30.660 -9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.267 31.335 -9.478 1.00 0.00 H new ATOM 383 N TYR A 24 4.376 31.279 -4.331 1.00 0.00 N ATOM 384 CA TYR A 24 4.170 31.742 -2.938 1.00 0.00 C ATOM 385 C TYR A 24 4.502 33.222 -2.841 1.00 0.00 C ATOM 386 O TYR A 24 3.667 33.994 -2.421 1.00 0.00 O ATOM 387 CB TYR A 24 5.017 30.930 -1.892 1.00 0.00 C ATOM 388 CG TYR A 24 4.238 29.856 -1.105 1.00 0.00 C ATOM 389 CD1 TYR A 24 3.183 30.212 -0.258 1.00 0.00 C ATOM 390 CD2 TYR A 24 4.554 28.496 -1.197 1.00 0.00 C ATOM 391 CE1 TYR A 24 2.476 29.257 0.453 1.00 0.00 C ATOM 392 CE2 TYR A 24 3.851 27.541 -0.495 1.00 0.00 C ATOM 393 CZ TYR A 24 2.813 27.924 0.329 1.00 0.00 C ATOM 394 OH TYR A 24 2.104 26.970 1.025 1.00 0.00 O ATOM 0 H TYR A 24 5.132 30.601 -4.427 1.00 0.00 H new ATOM 0 HA TYR A 24 3.122 31.573 -2.692 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.843 30.447 -2.414 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.456 31.631 -1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.914 31.253 -0.157 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.369 28.187 -1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.665 29.554 1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.112 26.497 -0.590 1.00 0.00 H new ATOM 0 HH TYR A 24 2.468 26.082 0.826 1.00 0.00 H new ATOM 404 N ARG A 25 5.725 33.595 -3.267 1.00 0.00 N ATOM 405 CA ARG A 25 6.220 34.990 -3.189 1.00 0.00 C ATOM 406 C ARG A 25 5.410 35.910 -4.123 1.00 0.00 C ATOM 407 O ARG A 25 5.290 37.120 -3.868 1.00 0.00 O ATOM 408 CB ARG A 25 7.739 35.059 -3.513 1.00 0.00 C ATOM 409 CG ARG A 25 8.112 34.923 -5.010 1.00 0.00 C ATOM 410 CD ARG A 25 9.630 34.975 -5.242 1.00 0.00 C ATOM 411 NE ARG A 25 10.249 36.105 -4.516 1.00 0.00 N ATOM 412 CZ ARG A 25 11.556 36.246 -4.267 1.00 0.00 C ATOM 413 NH1 ARG A 25 12.463 35.471 -4.848 1.00 0.00 N ATOM 414 NH2 ARG A 25 11.952 37.196 -3.449 1.00 0.00 N ATOM 0 H ARG A 25 6.397 32.944 -3.673 1.00 0.00 H new ATOM 0 HA ARG A 25 6.082 35.343 -2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.128 36.009 -3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.247 34.270 -2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.720 33.982 -5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.633 35.723 -5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.082 34.039 -4.914 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.833 35.071 -6.309 1.00 0.00 H new ATOM 0 HE ARG A 25 9.627 36.839 -4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.170 34.746 -5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.453 35.600 -4.640 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.266 37.813 -3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.945 37.316 -3.249 1.00 0.00 H new ATOM 428 N ARG A 26 4.860 35.303 -5.204 1.00 0.00 N ATOM 429 CA ARG A 26 3.937 35.969 -6.135 1.00 0.00 C ATOM 430 C ARG A 26 2.689 36.484 -5.390 1.00 0.00 C ATOM 431 O ARG A 26 2.360 37.670 -5.469 1.00 0.00 O ATOM 432 CB ARG A 26 3.547 34.993 -7.284 1.00 0.00 C ATOM 433 CG ARG A 26 2.552 35.561 -8.318 1.00 0.00 C ATOM 434 CD ARG A 26 2.306 34.610 -9.507 1.00 0.00 C ATOM 435 NE ARG A 26 1.385 35.221 -10.482 1.00 0.00 N ATOM 436 CZ ARG A 26 1.091 34.733 -11.702 1.00 0.00 C ATOM 437 NH1 ARG A 26 1.637 33.611 -12.146 1.00 0.00 N ATOM 438 NH2 ARG A 26 0.246 35.384 -12.481 1.00 0.00 N ATOM 0 H ARG A 26 5.051 34.331 -5.449 1.00 0.00 H new ATOM 0 HA ARG A 26 4.437 36.833 -6.573 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.455 34.690 -7.805 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.116 34.093 -6.845 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.603 35.768 -7.824 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.930 36.512 -8.693 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.253 34.374 -9.992 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.890 33.669 -9.146 1.00 0.00 H new ATOM 0 HE ARG A 26 0.929 36.092 -10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.295 33.097 -11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.399 33.260 -13.074 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.181 36.252 -12.158 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.020 35.018 -13.406 1.00 0.00 H new ATOM 452 N LEU A 27 2.024 35.590 -4.632 1.00 0.00 N ATOM 453 CA LEU A 27 0.807 35.948 -3.865 1.00 0.00 C ATOM 454 C LEU A 27 1.145 36.500 -2.465 1.00 0.00 C ATOM 455 O LEU A 27 0.277 37.073 -1.816 1.00 0.00 O ATOM 456 CB LEU A 27 -0.196 34.751 -3.812 1.00 0.00 C ATOM 457 CG LEU A 27 0.348 33.334 -3.400 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.599 33.173 -1.888 1.00 0.00 C ATOM 459 CD2 LEU A 27 -0.588 32.232 -3.912 1.00 0.00 C ATOM 0 H LEU A 27 2.306 34.615 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 27 0.309 36.760 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.992 35.016 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.653 34.657 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 27 1.325 33.238 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.973 32.169 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.336 33.907 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.334 33.329 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.197 31.258 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.581 32.369 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.652 32.285 -4.999 1.00 0.00 H new ATOM 471 N HIS A 28 2.419 36.360 -2.031 1.00 0.00 N ATOM 472 CA HIS A 28 2.925 36.920 -0.745 1.00 0.00 C ATOM 473 C HIS A 28 3.533 38.315 -0.958 1.00 0.00 C ATOM 474 O HIS A 28 4.246 38.806 -0.090 1.00 0.00 O ATOM 475 CB HIS A 28 3.987 35.981 -0.083 1.00 0.00 C ATOM 476 CG HIS A 28 3.445 34.797 0.677 1.00 0.00 C ATOM 477 ND1 HIS A 28 4.257 33.858 1.271 1.00 0.00 N ATOM 478 CD2 HIS A 28 2.180 34.426 0.977 1.00 0.00 C ATOM 479 CE1 HIS A 28 3.517 32.980 1.914 1.00 0.00 C ATOM 480 NE2 HIS A 28 2.250 33.299 1.746 1.00 0.00 N ATOM 0 H HIS A 28 3.130 35.855 -2.560 1.00 0.00 H new ATOM 0 HA HIS A 28 2.070 36.999 -0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.652 35.612 -0.864 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.594 36.577 0.598 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.277 34.930 0.665 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.886 32.140 2.483 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.453 32.789 2.127 1.00 0.00 H new ATOM 932 N LEU A 58 -4.151 36.576 -1.243 1.00 0.00 N ATOM 933 CA LEU A 58 -3.423 35.537 -1.986 1.00 0.00 C ATOM 934 C LEU A 58 -4.265 35.126 -3.204 1.00 0.00 C ATOM 935 O LEU A 58 -5.467 34.860 -3.048 1.00 0.00 O ATOM 936 CB LEU A 58 -3.127 34.279 -1.119 1.00 0.00 C ATOM 937 CG LEU A 58 -2.538 34.496 0.306 1.00 0.00 C ATOM 938 CD1 LEU A 58 -2.153 33.145 0.952 1.00 0.00 C ATOM 939 CD2 LEU A 58 -1.347 35.472 0.305 1.00 0.00 C ATOM 0 HA LEU A 58 -2.462 35.953 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.056 33.719 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.434 33.646 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.320 34.956 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.744 33.321 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.038 32.514 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.405 32.647 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.972 35.590 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.554 35.078 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.670 36.440 -0.077 1.00 0.00 H new ATOM 951 N GLY A 59 -3.630 35.089 -4.398 1.00 0.00 N ATOM 952 CA GLY A 59 -4.298 34.672 -5.637 1.00 0.00 C ATOM 953 C GLY A 59 -4.836 33.247 -5.531 1.00 0.00 C ATOM 954 O GLY A 59 -4.063 32.344 -5.222 1.00 0.00 O ATOM 0 H GLY A 59 -2.651 35.346 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.118 35.356 -5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.597 34.736 -6.469 1.00 0.00 H new ATOM 958 N GLN A 60 -6.151 33.057 -5.788 1.00 0.00 N ATOM 959 CA GLN A 60 -6.844 31.752 -5.609 1.00 0.00 C ATOM 960 C GLN A 60 -6.273 30.659 -6.529 1.00 0.00 C ATOM 961 O GLN A 60 -6.276 29.483 -6.164 1.00 0.00 O ATOM 962 CB GLN A 60 -8.361 31.903 -5.871 1.00 0.00 C ATOM 963 CG GLN A 60 -9.071 32.946 -4.987 1.00 0.00 C ATOM 964 CD GLN A 60 -10.576 33.035 -5.249 1.00 0.00 C ATOM 965 OE1 GLN A 60 -11.052 32.763 -6.353 1.00 0.00 O ATOM 966 NE2 GLN A 60 -11.335 33.446 -4.250 1.00 0.00 N ATOM 0 H GLN A 60 -6.764 33.800 -6.125 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.677 31.445 -4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.509 32.173 -6.917 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.839 30.935 -5.721 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.905 32.697 -3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.621 33.924 -5.157 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.915 33.664 -3.347 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.342 33.545 -4.382 1.00 0.00 H new ATOM 975 N VAL A 61 -5.816 31.067 -7.729 1.00 0.00 N ATOM 976 CA VAL A 61 -5.128 30.172 -8.680 1.00 0.00 C ATOM 977 C VAL A 61 -3.815 29.651 -8.064 1.00 0.00 C ATOM 978 O VAL A 61 -3.488 28.476 -8.206 1.00 0.00 O ATOM 979 CB VAL A 61 -4.855 30.894 -10.059 1.00 0.00 C ATOM 980 CG1 VAL A 61 -3.963 32.152 -9.891 1.00 0.00 C ATOM 981 CG2 VAL A 61 -4.259 29.914 -11.109 1.00 0.00 C ATOM 0 H VAL A 61 -5.913 32.025 -8.066 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.782 29.323 -8.881 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.820 31.233 -10.435 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.802 32.616 -10.864 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.457 32.862 -9.228 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.003 31.863 -9.463 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.084 30.445 -12.045 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.316 29.513 -10.738 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.958 29.096 -11.281 1.00 0.00 H new ATOM 991 N GLY A 62 -3.111 30.540 -7.336 1.00 0.00 N ATOM 992 CA GLY A 62 -1.860 30.203 -6.672 1.00 0.00 C ATOM 993 C GLY A 62 -2.083 29.328 -5.449 1.00 0.00 C ATOM 994 O GLY A 62 -1.366 28.366 -5.256 1.00 0.00 O ATOM 0 H GLY A 62 -3.403 31.508 -7.199 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.205 29.686 -7.373 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.349 31.119 -6.375 1.00 0.00 H new ATOM 998 N GLN A 63 -3.110 29.671 -4.639 1.00 0.00 N ATOM 999 CA GLN A 63 -3.503 28.909 -3.430 1.00 0.00 C ATOM 1000 C GLN A 63 -3.890 27.460 -3.799 1.00 0.00 C ATOM 1001 O GLN A 63 -3.468 26.508 -3.143 1.00 0.00 O ATOM 1002 CB GLN A 63 -4.715 29.586 -2.733 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.453 30.959 -2.081 1.00 0.00 C ATOM 1004 CD GLN A 63 -5.730 31.613 -1.514 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -6.822 31.470 -2.070 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -5.613 32.293 -0.382 1.00 0.00 N ATOM 0 H GLN A 63 -3.694 30.490 -4.806 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.648 28.896 -2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.510 29.704 -3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.089 28.909 -1.965 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.725 30.840 -1.278 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.007 31.626 -2.819 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.699 32.397 0.058 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.437 32.712 0.049 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.694 27.335 -4.870 1.00 0.00 N ATOM 1016 CA ASP A 64 -5.206 26.046 -5.375 1.00 0.00 C ATOM 1017 C ASP A 64 -4.061 25.201 -5.947 1.00 0.00 C ATOM 1018 O ASP A 64 -4.013 23.983 -5.749 1.00 0.00 O ATOM 1019 CB ASP A 64 -6.264 26.309 -6.474 1.00 0.00 C ATOM 1020 CG ASP A 64 -6.915 25.032 -7.033 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -7.885 24.533 -6.419 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -6.467 24.526 -8.084 1.00 0.00 O ATOM 0 H ASP A 64 -5.011 28.136 -5.417 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.662 25.498 -4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.043 26.954 -6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.795 26.854 -7.293 1.00 0.00 H new ATOM 1027 N GLU A 65 -3.149 25.886 -6.665 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.966 25.263 -7.278 1.00 0.00 C ATOM 1029 C GLU A 65 -1.032 24.734 -6.177 1.00 0.00 C ATOM 1030 O GLU A 65 -0.521 23.626 -6.269 1.00 0.00 O ATOM 1031 CB GLU A 65 -1.221 26.296 -8.190 1.00 0.00 C ATOM 1032 CG GLU A 65 -0.518 25.699 -9.426 1.00 0.00 C ATOM 1033 CD GLU A 65 -1.514 25.180 -10.487 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -2.010 24.040 -10.361 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -1.816 25.922 -11.451 1.00 0.00 O ATOM 0 H GLU A 65 -3.215 26.890 -6.835 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.282 24.426 -7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.940 27.043 -8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.478 26.818 -7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.123 26.457 -9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.129 24.881 -9.111 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.874 25.554 -5.119 1.00 0.00 N ATOM 1043 CA LEU A 66 -0.027 25.257 -3.942 1.00 0.00 C ATOM 1044 C LEU A 66 -0.632 24.144 -3.088 1.00 0.00 C ATOM 1045 O LEU A 66 0.105 23.431 -2.422 1.00 0.00 O ATOM 1046 CB LEU A 66 0.171 26.553 -3.085 1.00 0.00 C ATOM 1047 CG LEU A 66 1.368 27.501 -3.481 1.00 0.00 C ATOM 1048 CD1 LEU A 66 1.668 27.472 -4.987 1.00 0.00 C ATOM 1049 CD2 LEU A 66 1.106 28.954 -3.011 1.00 0.00 C ATOM 0 H LEU A 66 -1.340 26.459 -5.056 1.00 0.00 H new ATOM 0 HA LEU A 66 0.943 24.912 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.750 27.134 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.306 26.254 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 66 2.250 27.118 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.500 28.142 -5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.931 26.457 -5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.786 27.796 -5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.947 29.586 -3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.195 29.329 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.992 28.971 -1.927 1.00 0.00 H new ATOM 1061 N ARG A 67 -1.974 24.040 -3.091 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.710 22.960 -2.401 1.00 0.00 C ATOM 1063 C ARG A 67 -2.465 21.623 -3.123 1.00 0.00 C ATOM 1064 O ARG A 67 -2.306 20.580 -2.485 1.00 0.00 O ATOM 1065 CB ARG A 67 -4.231 23.292 -2.354 1.00 0.00 C ATOM 1066 CG ARG A 67 -5.126 22.193 -1.726 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.618 22.569 -1.729 1.00 0.00 C ATOM 1068 NE ARG A 67 -7.472 21.473 -1.225 1.00 0.00 N ATOM 1069 CZ ARG A 67 -8.659 21.116 -1.752 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -9.127 21.709 -2.843 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -9.367 20.151 -1.187 1.00 0.00 N ATOM 0 H ARG A 67 -2.581 24.703 -3.573 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.349 22.875 -1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.368 24.215 -1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.577 23.483 -3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.989 21.261 -2.275 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.804 22.009 -0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.768 23.456 -1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.923 22.828 -2.743 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.137 20.947 -0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.586 22.446 -3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.028 21.427 -3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.013 19.680 -0.354 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.266 19.879 -1.584 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.421 21.690 -4.466 1.00 0.00 N ATOM 1086 CA ALA A 68 -2.135 20.533 -5.333 1.00 0.00 C ATOM 1087 C ALA A 68 -0.664 20.093 -5.201 1.00 0.00 C ATOM 1088 O ALA A 68 -0.365 18.892 -5.223 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.478 20.877 -6.791 1.00 0.00 C ATOM 0 H ALA A 68 -2.584 22.554 -4.983 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.757 19.696 -5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.265 20.018 -7.427 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.536 21.130 -6.866 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.877 21.727 -7.115 1.00 0.00 H new ATOM 1095 N ILE A 69 0.240 21.089 -5.062 1.00 0.00 N ATOM 1096 CA ILE A 69 1.681 20.859 -4.822 1.00 0.00 C ATOM 1097 C ILE A 69 1.894 20.278 -3.414 1.00 0.00 C ATOM 1098 O ILE A 69 2.707 19.379 -3.232 1.00 0.00 O ATOM 1099 CB ILE A 69 2.524 22.192 -4.985 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.427 22.736 -6.449 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.006 21.978 -4.579 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.022 24.110 -6.693 1.00 0.00 C ATOM 0 H ILE A 69 -0.011 22.076 -5.113 1.00 0.00 H new ATOM 0 HA ILE A 69 2.031 20.148 -5.570 1.00 0.00 H new ATOM 0 HB ILE A 69 2.098 22.936 -4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.921 22.026 -7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.376 22.762 -6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.556 22.911 -4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.056 21.663 -3.537 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.449 21.209 -5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.896 24.380 -7.741 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.515 24.843 -6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.084 24.095 -6.447 1.00 0.00 H new ATOM 1114 N ASP A 70 1.135 20.803 -2.438 1.00 0.00 N ATOM 1115 CA ASP A 70 1.221 20.391 -1.020 1.00 0.00 C ATOM 1116 C ASP A 70 0.742 18.941 -0.860 1.00 0.00 C ATOM 1117 O ASP A 70 1.328 18.172 -0.106 1.00 0.00 O ATOM 1118 CB ASP A 70 0.373 21.351 -0.143 1.00 0.00 C ATOM 1119 CG ASP A 70 0.414 21.046 1.365 1.00 0.00 C ATOM 1120 OD1 ASP A 70 1.426 21.376 2.023 1.00 0.00 O ATOM 1121 OD2 ASP A 70 -0.567 20.485 1.903 1.00 0.00 O ATOM 0 H ASP A 70 0.439 21.530 -2.608 1.00 0.00 H new ATOM 0 HA ASP A 70 2.259 20.445 -0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.721 22.371 -0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.663 21.311 -0.480 1.00 0.00 H new ATOM 1126 N ALA A 71 -0.323 18.589 -1.607 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.883 17.224 -1.640 1.00 0.00 C ATOM 1128 C ALA A 71 0.125 16.244 -2.259 1.00 0.00 C ATOM 1129 O ALA A 71 0.313 15.138 -1.753 1.00 0.00 O ATOM 1130 CB ALA A 71 -2.203 17.212 -2.430 1.00 0.00 C ATOM 0 H ALA A 71 -0.821 19.247 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.086 16.905 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.607 16.200 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.919 17.880 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.019 17.547 -3.451 1.00 0.00 H new ATOM 1136 N ALA A 72 0.784 16.698 -3.343 1.00 0.00 N ATOM 1137 CA ALA A 72 1.798 15.918 -4.074 1.00 0.00 C ATOM 1138 C ALA A 72 3.041 15.654 -3.194 1.00 0.00 C ATOM 1139 O ALA A 72 3.515 14.519 -3.115 1.00 0.00 O ATOM 1140 CB ALA A 72 2.170 16.648 -5.373 1.00 0.00 C ATOM 0 H ALA A 72 0.625 17.625 -3.738 1.00 0.00 H new ATOM 0 HA ALA A 72 1.380 14.945 -4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.920 16.070 -5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.282 16.760 -5.995 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.573 17.632 -5.135 1.00 0.00 H new ATOM 1146 N LEU A 73 3.520 16.714 -2.506 1.00 0.00 N ATOM 1147 CA LEU A 73 4.668 16.648 -1.564 1.00 0.00 C ATOM 1148 C LEU A 73 4.335 15.776 -0.340 1.00 0.00 C ATOM 1149 O LEU A 73 5.218 15.131 0.234 1.00 0.00 O ATOM 1150 CB LEU A 73 5.076 18.081 -1.101 1.00 0.00 C ATOM 1151 CG LEU A 73 5.793 18.972 -2.169 1.00 0.00 C ATOM 1152 CD1 LEU A 73 5.980 20.419 -1.660 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.150 18.355 -2.596 1.00 0.00 C ATOM 0 H LEU A 73 3.120 17.649 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 73 5.505 16.192 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.179 18.602 -0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.732 17.988 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 73 5.150 19.009 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.481 21.012 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.006 20.857 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.585 20.410 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.624 18.997 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.800 18.267 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.982 17.367 -3.025 1.00 0.00 H new ATOM 1165 N ALA A 74 3.048 15.786 0.050 1.00 0.00 N ATOM 1166 CA ALA A 74 2.531 14.976 1.166 1.00 0.00 C ATOM 1167 C ALA A 74 2.483 13.486 0.788 1.00 0.00 C ATOM 1168 O ALA A 74 2.706 12.627 1.639 1.00 0.00 O ATOM 1169 CB ALA A 74 1.151 15.486 1.604 1.00 0.00 C ATOM 0 H ALA A 74 2.335 16.358 -0.402 1.00 0.00 H new ATOM 0 HA ALA A 74 3.212 15.078 2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.783 14.877 2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.232 16.524 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.456 15.420 0.767 1.00 0.00 H new ATOM 1175 N ARG A 75 2.198 13.190 -0.503 1.00 0.00 N ATOM 1176 CA ARG A 75 2.265 11.818 -1.048 1.00 0.00 C ATOM 1177 C ARG A 75 3.712 11.309 -1.026 1.00 0.00 C ATOM 1178 O ARG A 75 3.941 10.133 -0.788 1.00 0.00 O ATOM 1179 CB ARG A 75 1.725 11.747 -2.503 1.00 0.00 C ATOM 1180 CG ARG A 75 0.222 12.046 -2.699 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.730 10.939 -2.182 1.00 0.00 C ATOM 1182 NE ARG A 75 -0.850 10.886 -0.706 1.00 0.00 N ATOM 1183 CZ ARG A 75 -1.616 10.005 -0.024 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -2.338 9.092 -0.658 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -1.652 10.038 1.299 1.00 0.00 N ATOM 0 H ARG A 75 1.918 13.891 -1.189 1.00 0.00 H new ATOM 0 HA ARG A 75 1.637 11.189 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.294 12.449 -3.112 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.928 10.750 -2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.018 12.980 -2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.032 12.203 -3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.720 11.096 -2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.376 9.973 -2.542 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.315 11.565 -0.164 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.321 9.046 -1.677 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.910 8.435 -0.127 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.101 10.730 1.807 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.231 9.372 1.810 1.00 0.00 H new ATOM 1199 N ILE A 76 4.682 12.212 -1.282 1.00 0.00 N ATOM 1200 CA ILE A 76 6.124 11.876 -1.240 1.00 0.00 C ATOM 1201 C ILE A 76 6.536 11.542 0.208 1.00 0.00 C ATOM 1202 O ILE A 76 7.232 10.553 0.450 1.00 0.00 O ATOM 1203 CB ILE A 76 7.018 13.045 -1.808 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.521 13.459 -3.229 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.517 12.629 -1.840 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.180 14.675 -3.836 1.00 0.00 C ATOM 0 H ILE A 76 4.492 13.185 -1.521 1.00 0.00 H new ATOM 0 HA ILE A 76 6.286 11.007 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 76 6.927 13.907 -1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.670 12.616 -3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.447 13.641 -3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.114 13.451 -2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.850 12.391 -0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.638 11.753 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.755 14.866 -4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.010 15.539 -3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.251 14.499 -3.931 1.00 0.00 H new ATOM 1218 N ALA A 77 6.047 12.373 1.151 1.00 0.00 N ATOM 1219 CA ALA A 77 6.226 12.187 2.605 1.00 0.00 C ATOM 1220 C ALA A 77 5.559 10.880 3.097 1.00 0.00 C ATOM 1221 O ALA A 77 6.021 10.260 4.059 1.00 0.00 O ATOM 1222 CB ALA A 77 5.660 13.406 3.356 1.00 0.00 C ATOM 0 H ALA A 77 5.507 13.207 0.919 1.00 0.00 H new ATOM 0 HA ALA A 77 7.293 12.102 2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.793 13.266 4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.187 14.306 3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.598 13.510 3.133 1.00 0.00 H new ATOM 1228 N SER A 78 4.472 10.482 2.415 1.00 0.00 N ATOM 1229 CA SER A 78 3.738 9.232 2.695 1.00 0.00 C ATOM 1230 C SER A 78 4.383 8.029 1.960 1.00 0.00 C ATOM 1231 O SER A 78 4.127 6.877 2.314 1.00 0.00 O ATOM 1232 CB SER A 78 2.257 9.403 2.272 1.00 0.00 C ATOM 1233 OG SER A 78 1.484 8.241 2.540 1.00 0.00 O ATOM 0 H SER A 78 4.073 11.022 1.647 1.00 0.00 H new ATOM 0 HA SER A 78 3.786 9.025 3.764 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.826 10.254 2.800 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.209 9.631 1.207 1.00 0.00 H new ATOM 0 HG SER A 78 0.557 8.393 2.260 1.00 0.00 H new ATOM 1239 N GLY A 79 5.221 8.324 0.947 1.00 0.00 N ATOM 1240 CA GLY A 79 5.911 7.304 0.144 1.00 0.00 C ATOM 1241 C GLY A 79 5.047 6.720 -0.976 1.00 0.00 C ATOM 1242 O GLY A 79 5.401 5.693 -1.561 1.00 0.00 O ATOM 0 H GLY A 79 5.437 9.280 0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.809 7.742 -0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.237 6.496 0.799 1.00 0.00 H new ATOM 1246 N THR A 80 3.907 7.377 -1.268 1.00 0.00 N ATOM 1247 CA THR A 80 2.924 6.927 -2.277 1.00 0.00 C ATOM 1248 C THR A 80 2.653 8.049 -3.320 1.00 0.00 C ATOM 1249 O THR A 80 1.540 8.199 -3.837 1.00 0.00 O ATOM 1250 CB THR A 80 1.599 6.452 -1.564 1.00 0.00 C ATOM 1251 OG1 THR A 80 0.688 5.894 -2.520 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.903 7.586 -0.784 1.00 0.00 C ATOM 0 H THR A 80 3.639 8.245 -0.805 1.00 0.00 H new ATOM 0 HA THR A 80 3.334 6.076 -2.821 1.00 0.00 H new ATOM 0 HB THR A 80 1.890 5.689 -0.842 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.128 5.603 -2.063 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.002 7.202 -0.314 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.577 7.966 -0.016 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.642 8.392 -1.470 1.00 0.00 H new ATOM 1260 N PHE A 81 3.693 8.853 -3.621 1.00 0.00 N ATOM 1261 CA PHE A 81 3.685 9.744 -4.795 1.00 0.00 C ATOM 1262 C PHE A 81 3.595 8.912 -6.091 1.00 0.00 C ATOM 1263 O PHE A 81 4.186 7.824 -6.183 1.00 0.00 O ATOM 1264 CB PHE A 81 4.937 10.651 -4.818 1.00 0.00 C ATOM 1265 CG PHE A 81 4.929 11.697 -5.948 1.00 0.00 C ATOM 1266 CD1 PHE A 81 4.046 12.783 -5.905 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.782 11.592 -7.049 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.020 13.720 -6.921 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.749 12.529 -8.062 1.00 0.00 C ATOM 1270 CZ PHE A 81 4.872 13.596 -7.998 1.00 0.00 C ATOM 0 H PHE A 81 4.548 8.902 -3.067 1.00 0.00 H new ATOM 0 HA PHE A 81 2.809 10.389 -4.727 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.018 11.166 -3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.824 10.026 -4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.375 12.890 -5.065 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.476 10.767 -7.108 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.331 14.550 -6.871 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.412 12.428 -8.909 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.854 14.330 -8.790 1.00 0.00 H new ATOM 1280 N GLY A 82 2.872 9.458 -7.080 1.00 0.00 N ATOM 1281 CA GLY A 82 2.547 8.732 -8.299 1.00 0.00 C ATOM 1282 C GLY A 82 1.344 7.828 -8.100 1.00 0.00 C ATOM 1283 O GLY A 82 1.255 6.766 -8.712 1.00 0.00 O ATOM 0 H GLY A 82 2.502 10.408 -7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.343 9.440 -9.103 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.405 8.136 -8.609 1.00 0.00 H new ATOM 1287 N THR A 83 0.424 8.254 -7.213 1.00 0.00 N ATOM 1288 CA THR A 83 -0.854 7.561 -6.962 1.00 0.00 C ATOM 1289 C THR A 83 -2.027 8.566 -7.022 1.00 0.00 C ATOM 1290 O THR A 83 -2.087 9.508 -6.219 1.00 0.00 O ATOM 1291 CB THR A 83 -0.835 6.826 -5.581 1.00 0.00 C ATOM 1292 OG1 THR A 83 0.394 6.095 -5.454 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.019 5.846 -5.414 1.00 0.00 C ATOM 0 H THR A 83 0.548 9.094 -6.647 1.00 0.00 H new ATOM 0 HA THR A 83 -0.992 6.810 -7.740 1.00 0.00 H new ATOM 0 HB THR A 83 -0.923 7.587 -4.806 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.609 5.979 -4.505 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.957 5.363 -4.439 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.958 6.394 -5.489 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.978 5.089 -6.197 1.00 0.00 H new ATOM 1301 N CYS A 84 -2.910 8.386 -8.029 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.187 9.102 -8.142 1.00 0.00 C ATOM 1303 C CYS A 84 -5.050 8.777 -6.931 1.00 0.00 C ATOM 1304 O CYS A 84 -5.549 7.654 -6.829 1.00 0.00 O ATOM 1305 CB CYS A 84 -4.935 8.713 -9.448 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.498 9.616 -9.734 1.00 0.00 S ATOM 0 H CYS A 84 -2.748 7.730 -8.793 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.986 10.173 -8.178 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.272 8.886 -10.295 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.148 7.644 -9.423 1.00 0.00 H new ATOM 0 HG CYS A 84 -7.434 8.773 -10.053 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.177 9.750 -6.007 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.025 9.634 -4.798 1.00 0.00 C ATOM 1313 C VAL A 85 -7.500 9.378 -5.179 1.00 0.00 C ATOM 1314 O VAL A 85 -8.226 8.677 -4.471 1.00 0.00 O ATOM 1315 CB VAL A 85 -5.906 10.922 -3.883 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -4.438 11.165 -3.448 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -6.493 12.182 -4.576 1.00 0.00 C ATOM 0 H VAL A 85 -4.692 10.645 -6.077 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.663 8.779 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.500 10.735 -2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.387 12.055 -2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.078 10.304 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.816 11.307 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.391 13.042 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.953 12.372 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.548 12.018 -4.797 1.00 0.00 H new ATOM 1327 N LYS A 86 -7.901 9.921 -6.346 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.287 9.866 -6.851 1.00 0.00 C ATOM 1329 C LYS A 86 -9.599 8.502 -7.514 1.00 0.00 C ATOM 1330 O LYS A 86 -10.736 8.236 -7.891 1.00 0.00 O ATOM 1331 CB LYS A 86 -9.490 11.051 -7.843 1.00 0.00 C ATOM 1332 CG LYS A 86 -10.938 11.599 -7.925 1.00 0.00 C ATOM 1333 CD LYS A 86 -11.015 12.921 -8.736 1.00 0.00 C ATOM 1334 CE LYS A 86 -12.334 13.699 -8.536 1.00 0.00 C ATOM 1335 NZ LYS A 86 -13.522 12.953 -9.022 1.00 0.00 N ATOM 0 H LYS A 86 -7.264 10.415 -6.971 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.986 9.962 -6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.826 11.865 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.183 10.728 -8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.583 10.852 -8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.319 11.769 -6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.180 13.561 -8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.895 12.694 -9.795 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.460 13.924 -7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.271 14.653 -9.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.378 13.522 -8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.419 12.760 -10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.603 12.054 -8.505 1.00 0.00 H new ATOM 1349 N CYS A 87 -8.559 7.667 -7.671 1.00 0.00 N ATOM 1350 CA CYS A 87 -8.679 6.275 -8.181 1.00 0.00 C ATOM 1351 C CYS A 87 -8.177 5.240 -7.153 1.00 0.00 C ATOM 1352 O CYS A 87 -8.594 4.079 -7.192 1.00 0.00 O ATOM 1353 CB CYS A 87 -7.882 6.101 -9.494 1.00 0.00 C ATOM 1354 SG CYS A 87 -8.636 6.874 -10.937 1.00 0.00 S ATOM 0 H CYS A 87 -7.600 7.933 -7.448 1.00 0.00 H new ATOM 0 HA CYS A 87 -9.739 6.100 -8.365 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.884 6.516 -9.356 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.760 5.036 -9.691 1.00 0.00 H new ATOM 0 HG CYS A 87 -7.725 7.506 -11.616 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.287 5.678 -6.243 1.00 0.00 N ATOM 1360 CA GLY A 88 -6.493 4.764 -5.419 1.00 0.00 C ATOM 1361 C GLY A 88 -5.518 3.925 -6.261 1.00 0.00 C ATOM 1362 O GLY A 88 -5.150 2.815 -5.869 1.00 0.00 O ATOM 0 H GLY A 88 -7.103 6.665 -6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.933 5.337 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.160 4.100 -4.869 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.090 4.478 -7.420 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.295 3.743 -8.444 1.00 0.00 C ATOM 1368 C LYS A 89 -3.116 4.609 -8.921 1.00 0.00 C ATOM 1369 O LYS A 89 -3.061 5.786 -8.607 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.189 3.368 -9.662 1.00 0.00 C ATOM 1371 CG LYS A 89 -6.397 2.454 -9.343 1.00 0.00 C ATOM 1372 CD LYS A 89 -7.224 2.096 -10.605 1.00 0.00 C ATOM 1373 CE LYS A 89 -6.402 1.302 -11.633 1.00 0.00 C ATOM 1374 NZ LYS A 89 -7.184 0.970 -12.846 1.00 0.00 N ATOM 0 H LYS A 89 -5.284 5.446 -7.676 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.912 2.829 -7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.560 4.287 -10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.568 2.873 -10.408 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.040 1.537 -8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.043 2.951 -8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.097 1.513 -10.312 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.593 3.012 -11.067 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.524 1.881 -11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.041 0.382 -11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.587 0.435 -13.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.008 0.394 -12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.507 1.847 -13.302 1.00 0.00 H new ATOM 1388 N ARG A 90 -2.231 4.012 -9.738 1.00 0.00 N ATOM 1389 CA ARG A 90 -0.952 4.627 -10.184 1.00 0.00 C ATOM 1390 C ARG A 90 -1.202 5.809 -11.191 1.00 0.00 C ATOM 1391 O ARG A 90 -2.216 5.840 -11.897 1.00 0.00 O ATOM 1392 CB ARG A 90 -0.051 3.489 -10.821 1.00 0.00 C ATOM 1393 CG ARG A 90 1.461 3.499 -10.447 1.00 0.00 C ATOM 1394 CD ARG A 90 2.245 4.654 -11.086 1.00 0.00 C ATOM 1395 NE ARG A 90 3.696 4.537 -10.873 1.00 0.00 N ATOM 1396 CZ ARG A 90 4.640 5.038 -11.688 1.00 0.00 C ATOM 1397 NH1 ARG A 90 4.311 5.738 -12.766 1.00 0.00 N ATOM 1398 NH2 ARG A 90 5.914 4.842 -11.418 1.00 0.00 N ATOM 0 H ARG A 90 -2.378 3.076 -10.116 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.434 5.064 -9.330 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.467 2.524 -10.530 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.133 3.558 -11.906 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.558 3.561 -9.363 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.909 2.554 -10.754 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.039 4.680 -12.156 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.895 5.599 -10.671 1.00 0.00 H new ATOM 0 HE ARG A 90 4.010 4.036 -10.042 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.329 5.903 -12.987 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.040 6.111 -13.374 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.184 4.310 -10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.631 5.222 -12.036 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.266 6.784 -11.206 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.239 7.936 -12.152 1.00 0.00 C ATOM 1414 C ILE A 91 0.759 7.646 -13.306 1.00 0.00 C ATOM 1415 O ILE A 91 1.732 6.918 -13.115 1.00 0.00 O ATOM 1416 CB ILE A 91 0.218 9.266 -11.410 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.744 9.671 -10.253 1.00 0.00 C ATOM 1418 CG2 ILE A 91 0.352 10.444 -12.393 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.005 10.390 -10.685 1.00 0.00 C ATOM 0 H ILE A 91 0.513 6.798 -10.547 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.246 8.072 -12.547 1.00 0.00 H new ATOM 0 HB ILE A 91 1.193 9.041 -10.978 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.027 8.772 -9.706 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.201 10.310 -9.557 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.666 11.336 -11.851 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.095 10.201 -13.153 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.610 10.630 -12.872 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.607 10.628 -9.808 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.739 11.311 -11.204 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.578 9.749 -11.355 1.00 0.00 H new ATOM 1431 N SER A 92 0.517 8.237 -14.493 1.00 0.00 N ATOM 1432 CA SER A 92 1.450 8.157 -15.637 1.00 0.00 C ATOM 1433 C SER A 92 2.698 9.033 -15.357 1.00 0.00 C ATOM 1434 O SER A 92 2.581 10.112 -14.771 1.00 0.00 O ATOM 1435 CB SER A 92 0.743 8.627 -16.932 1.00 0.00 C ATOM 1436 OG SER A 92 -0.463 7.903 -17.152 1.00 0.00 O ATOM 0 H SER A 92 -0.325 8.780 -14.686 1.00 0.00 H new ATOM 0 HA SER A 92 1.767 7.123 -15.769 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.523 9.692 -16.863 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.411 8.493 -17.783 1.00 0.00 H new ATOM 0 HG SER A 92 -0.890 8.221 -17.975 1.00 0.00 H new ATOM 1442 N GLU A 93 3.880 8.566 -15.782 1.00 0.00 N ATOM 1443 CA GLU A 93 5.137 9.335 -15.661 1.00 0.00 C ATOM 1444 C GLU A 93 5.085 10.588 -16.563 1.00 0.00 C ATOM 1445 O GLU A 93 5.645 11.633 -16.224 1.00 0.00 O ATOM 1446 CB GLU A 93 6.340 8.433 -16.027 1.00 0.00 C ATOM 1447 CG GLU A 93 7.730 9.110 -15.933 1.00 0.00 C ATOM 1448 CD GLU A 93 8.894 8.145 -16.218 1.00 0.00 C ATOM 1449 OE1 GLU A 93 8.829 7.400 -17.221 1.00 0.00 O ATOM 1450 OE2 GLU A 93 9.876 8.117 -15.442 1.00 0.00 O ATOM 0 H GLU A 93 3.997 7.651 -16.217 1.00 0.00 H new ATOM 0 HA GLU A 93 5.259 9.668 -14.630 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.333 7.563 -15.370 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.201 8.066 -17.044 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.772 9.939 -16.640 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.854 9.534 -14.937 1.00 0.00 H new ATOM 1457 N ASP A 94 4.371 10.456 -17.708 1.00 0.00 N ATOM 1458 CA ASP A 94 4.126 11.566 -18.657 1.00 0.00 C ATOM 1459 C ASP A 94 3.228 12.646 -18.036 1.00 0.00 C ATOM 1460 O ASP A 94 3.410 13.846 -18.302 1.00 0.00 O ATOM 1461 CB ASP A 94 3.519 11.051 -19.985 1.00 0.00 C ATOM 1462 CG ASP A 94 4.475 10.107 -20.735 1.00 0.00 C ATOM 1463 OD1 ASP A 94 5.493 10.589 -21.281 1.00 0.00 O ATOM 1464 OD2 ASP A 94 4.220 8.884 -20.783 1.00 0.00 O ATOM 0 H ASP A 94 3.949 9.574 -17.998 1.00 0.00 H new ATOM 0 HA ASP A 94 5.093 12.018 -18.880 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.585 10.529 -19.777 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.274 11.900 -20.624 1.00 0.00 H new ATOM 1469 N ARG A 95 2.274 12.198 -17.199 1.00 0.00 N ATOM 1470 CA ARG A 95 1.410 13.088 -16.409 1.00 0.00 C ATOM 1471 C ARG A 95 2.255 13.945 -15.461 1.00 0.00 C ATOM 1472 O ARG A 95 2.051 15.147 -15.381 1.00 0.00 O ATOM 1473 CB ARG A 95 0.362 12.269 -15.592 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.562 13.104 -14.651 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.871 13.587 -15.298 1.00 0.00 C ATOM 1476 NE ARG A 95 -1.671 14.443 -16.488 1.00 0.00 N ATOM 1477 CZ ARG A 95 -2.364 15.562 -16.762 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -3.207 16.079 -15.878 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -2.190 16.177 -17.920 1.00 0.00 N ATOM 0 H ARG A 95 2.082 11.207 -17.053 1.00 0.00 H new ATOM 0 HA ARG A 95 0.876 13.740 -17.100 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.266 11.717 -16.291 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.893 11.532 -14.990 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.806 12.502 -13.776 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.007 13.972 -14.296 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.466 12.719 -15.583 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.448 14.140 -14.557 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.950 14.162 -17.153 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.338 15.627 -14.973 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.724 16.929 -16.103 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.531 15.802 -18.603 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.715 17.026 -18.130 1.00 0.00 H new ATOM 1493 N LEU A 96 3.225 13.307 -14.778 1.00 0.00 N ATOM 1494 CA LEU A 96 4.028 13.965 -13.722 1.00 0.00 C ATOM 1495 C LEU A 96 5.187 14.804 -14.283 1.00 0.00 C ATOM 1496 O LEU A 96 5.613 15.756 -13.634 1.00 0.00 O ATOM 1497 CB LEU A 96 4.541 12.918 -12.707 1.00 0.00 C ATOM 1498 CG LEU A 96 3.416 12.156 -11.938 1.00 0.00 C ATOM 1499 CD1 LEU A 96 3.981 11.084 -10.990 1.00 0.00 C ATOM 1500 CD2 LEU A 96 2.473 13.133 -11.181 1.00 0.00 C ATOM 0 H LEU A 96 3.474 12.331 -14.938 1.00 0.00 H new ATOM 0 HA LEU A 96 3.367 14.665 -13.210 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.159 12.192 -13.235 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.184 13.418 -11.983 1.00 0.00 H new ATOM 0 HG LEU A 96 2.822 11.638 -12.691 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.160 10.582 -10.478 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.551 10.354 -11.565 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.633 11.556 -10.255 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.704 12.565 -10.658 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.051 13.710 -10.459 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.002 13.810 -11.894 1.00 0.00 H new ATOM 1512 N LYS A 97 5.708 14.454 -15.470 1.00 0.00 N ATOM 1513 CA LYS A 97 6.789 15.244 -16.108 1.00 0.00 C ATOM 1514 C LYS A 97 6.208 16.561 -16.665 1.00 0.00 C ATOM 1515 O LYS A 97 6.892 17.589 -16.695 1.00 0.00 O ATOM 1516 CB LYS A 97 7.522 14.430 -17.219 1.00 0.00 C ATOM 1517 CG LYS A 97 6.715 14.216 -18.521 1.00 0.00 C ATOM 1518 CD LYS A 97 7.450 13.356 -19.576 1.00 0.00 C ATOM 1519 CE LYS A 97 7.784 11.942 -19.077 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.328 11.091 -20.163 1.00 0.00 N ATOM 0 H LYS A 97 5.407 13.641 -16.007 1.00 0.00 H new ATOM 0 HA LYS A 97 7.537 15.481 -15.351 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.452 14.941 -17.467 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.792 13.455 -16.814 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.766 13.740 -18.275 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.481 15.187 -18.956 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.831 13.282 -20.470 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.372 13.859 -19.867 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.509 12.004 -18.266 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.886 11.479 -18.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.832 10.281 -19.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.548 10.746 -20.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.986 11.648 -20.744 1.00 0.00 H new ATOM 1534 N ALA A 98 4.928 16.501 -17.088 1.00 0.00 N ATOM 1535 CA ALA A 98 4.173 17.665 -17.577 1.00 0.00 C ATOM 1536 C ALA A 98 3.612 18.489 -16.400 1.00 0.00 C ATOM 1537 O ALA A 98 3.696 19.716 -16.392 1.00 0.00 O ATOM 1538 CB ALA A 98 3.045 17.184 -18.503 1.00 0.00 C ATOM 0 H ALA A 98 4.389 15.635 -17.098 1.00 0.00 H new ATOM 0 HA ALA A 98 4.841 18.317 -18.140 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.483 18.043 -18.868 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.473 16.645 -19.348 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.378 16.522 -17.951 1.00 0.00 H new ATOM 1544 N VAL A 99 3.068 17.785 -15.401 1.00 0.00 N ATOM 1545 CA VAL A 99 2.439 18.380 -14.205 1.00 0.00 C ATOM 1546 C VAL A 99 2.608 17.412 -12.999 1.00 0.00 C ATOM 1547 O VAL A 99 1.846 16.454 -12.847 1.00 0.00 O ATOM 1548 CB VAL A 99 0.913 18.767 -14.457 1.00 0.00 C ATOM 1549 CG1 VAL A 99 0.116 17.636 -15.154 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.214 19.207 -13.143 1.00 0.00 C ATOM 0 H VAL A 99 3.050 16.765 -15.396 1.00 0.00 H new ATOM 0 HA VAL A 99 2.945 19.317 -13.974 1.00 0.00 H new ATOM 0 HB VAL A 99 0.922 19.616 -15.140 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.916 17.955 -15.300 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.568 17.415 -16.121 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.135 16.741 -14.532 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.825 19.464 -13.352 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.248 18.391 -12.422 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.727 20.076 -12.732 1.00 0.00 H new ATOM 1560 N PRO A 100 3.675 17.607 -12.147 1.00 0.00 N ATOM 1561 CA PRO A 100 3.892 16.776 -10.931 1.00 0.00 C ATOM 1562 C PRO A 100 2.944 17.147 -9.771 1.00 0.00 C ATOM 1563 O PRO A 100 2.865 16.429 -8.768 1.00 0.00 O ATOM 1564 CB PRO A 100 5.375 17.060 -10.573 1.00 0.00 C ATOM 1565 CG PRO A 100 5.638 18.444 -11.093 1.00 0.00 C ATOM 1566 CD PRO A 100 4.767 18.611 -12.327 1.00 0.00 C ATOM 0 HA PRO A 100 3.682 15.721 -11.109 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.540 17.004 -9.497 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.040 16.331 -11.036 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.394 19.194 -10.341 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.692 18.572 -11.341 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.369 19.623 -12.399 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.332 18.425 -13.241 1.00 0.00 H new ATOM 1574 N TYR A 101 2.224 18.273 -9.930 1.00 0.00 N ATOM 1575 CA TYR A 101 1.321 18.822 -8.902 1.00 0.00 C ATOM 1576 C TYR A 101 -0.131 18.493 -9.234 1.00 0.00 C ATOM 1577 O TYR A 101 -1.013 19.358 -9.220 1.00 0.00 O ATOM 1578 CB TYR A 101 1.547 20.352 -8.727 1.00 0.00 C ATOM 1579 CG TYR A 101 1.662 21.186 -10.016 1.00 0.00 C ATOM 1580 CD1 TYR A 101 2.904 21.391 -10.641 1.00 0.00 C ATOM 1581 CD2 TYR A 101 0.547 21.788 -10.602 1.00 0.00 C ATOM 1582 CE1 TYR A 101 3.014 22.147 -11.791 1.00 0.00 C ATOM 1583 CE2 TYR A 101 0.660 22.544 -11.751 1.00 0.00 C ATOM 1584 CZ TYR A 101 1.892 22.718 -12.341 1.00 0.00 C ATOM 1585 OH TYR A 101 1.995 23.475 -13.485 1.00 0.00 O ATOM 0 H TYR A 101 2.253 18.832 -10.783 1.00 0.00 H new ATOM 0 HA TYR A 101 1.552 18.352 -7.946 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.724 20.752 -8.135 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.457 20.497 -8.145 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.791 20.948 -10.213 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.424 21.659 -10.147 1.00 0.00 H new ATOM 0 HE1 TYR A 101 3.978 22.289 -12.256 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.217 22.999 -12.187 1.00 0.00 H new ATOM 0 HH TYR A 101 1.108 23.804 -13.741 1.00 0.00 H new ATOM 1595 N THR A 102 -0.374 17.218 -9.541 1.00 0.00 N ATOM 1596 CA THR A 102 -1.721 16.697 -9.713 1.00 0.00 C ATOM 1597 C THR A 102 -1.887 15.410 -8.865 1.00 0.00 C ATOM 1598 O THR A 102 -1.167 14.422 -9.067 1.00 0.00 O ATOM 1599 CB THR A 102 -2.067 16.465 -11.226 1.00 0.00 C ATOM 1600 OG1 THR A 102 -3.434 16.041 -11.360 1.00 0.00 O ATOM 1601 CG2 THR A 102 -1.133 15.457 -11.921 1.00 0.00 C ATOM 0 H THR A 102 0.360 16.522 -9.676 1.00 0.00 H new ATOM 0 HA THR A 102 -2.436 17.438 -9.356 1.00 0.00 H new ATOM 0 HB THR A 102 -1.919 17.422 -11.727 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.464 15.071 -11.496 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.430 15.345 -12.964 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.106 15.819 -11.873 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.201 14.492 -11.419 1.00 0.00 H new ATOM 1609 N PRO A 103 -2.799 15.422 -7.840 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.177 14.194 -7.100 1.00 0.00 C ATOM 1611 C PRO A 103 -4.138 13.298 -7.919 1.00 0.00 C ATOM 1612 O PRO A 103 -4.572 12.242 -7.448 1.00 0.00 O ATOM 1613 CB PRO A 103 -3.862 14.755 -5.823 1.00 0.00 C ATOM 1614 CG PRO A 103 -4.451 16.066 -6.258 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.497 16.630 -7.299 1.00 0.00 C ATOM 0 HA PRO A 103 -2.325 13.549 -6.882 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.632 14.077 -5.455 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.144 14.891 -5.014 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.447 15.926 -6.677 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.553 16.747 -5.413 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.032 17.166 -8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -2.792 17.333 -6.856 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.480 13.752 -9.145 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.424 13.075 -10.033 1.00 0.00 C ATOM 1625 C PHE A 104 -4.688 12.606 -11.298 1.00 0.00 C ATOM 1626 O PHE A 104 -3.757 13.260 -11.760 1.00 0.00 O ATOM 1627 CB PHE A 104 -6.581 14.042 -10.419 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.210 14.798 -9.238 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -7.513 14.145 -8.038 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -7.487 16.164 -9.325 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -8.057 14.830 -6.974 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.032 16.850 -8.256 1.00 0.00 C ATOM 1633 CZ PHE A 104 -8.321 16.181 -7.082 1.00 0.00 C ATOM 0 H PHE A 104 -4.098 14.611 -9.542 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.846 12.212 -9.519 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.203 14.769 -11.138 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.360 13.471 -10.923 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.317 13.087 -7.945 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.272 16.693 -10.242 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.277 14.310 -6.054 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.232 17.908 -8.338 1.00 0.00 H new ATOM 0 HZ PHE A 104 -8.753 16.715 -6.249 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.116 11.464 -11.846 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.623 10.963 -13.147 1.00 0.00 C ATOM 1645 C CYS A 105 -5.300 11.762 -14.270 1.00 0.00 C ATOM 1646 O CYS A 105 -6.321 12.408 -14.008 1.00 0.00 O ATOM 1647 CB CYS A 105 -4.913 9.449 -13.266 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.666 9.009 -13.398 1.00 0.00 S ATOM 0 H CYS A 105 -5.810 10.859 -11.408 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.544 11.098 -13.227 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.391 9.063 -14.141 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.493 8.945 -12.396 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.357 9.723 -12.559 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.749 11.721 -15.507 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.251 12.554 -16.639 1.00 0.00 C ATOM 1655 C GLN A 106 -6.726 12.253 -16.963 1.00 0.00 C ATOM 1656 O GLN A 106 -7.460 13.148 -17.387 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.343 12.385 -17.891 1.00 0.00 C ATOM 1658 CG GLN A 106 -4.720 13.300 -19.083 1.00 0.00 C ATOM 1659 CD GLN A 106 -3.732 13.240 -20.258 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -2.766 14.006 -20.320 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -3.970 12.340 -21.199 1.00 0.00 N ATOM 0 H GLN A 106 -3.959 11.124 -15.751 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.205 13.598 -16.328 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.311 12.587 -17.606 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.386 11.346 -18.218 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.711 13.022 -19.441 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.786 14.329 -18.730 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.777 11.721 -21.120 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.347 12.266 -22.003 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.140 10.997 -16.709 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.556 10.569 -16.781 1.00 0.00 C ATOM 1672 C GLU A 107 -9.439 11.453 -15.867 1.00 0.00 C ATOM 1673 O GLU A 107 -10.421 12.042 -16.326 1.00 0.00 O ATOM 1674 CB GLU A 107 -8.673 9.077 -16.364 1.00 0.00 C ATOM 1675 CG GLU A 107 -7.888 8.088 -17.258 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.802 6.670 -16.661 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -8.741 5.870 -16.864 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.797 6.356 -15.972 1.00 0.00 O ATOM 0 H GLU A 107 -6.502 10.246 -16.447 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.907 10.682 -17.807 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.322 8.973 -15.337 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.726 8.794 -16.371 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.365 8.035 -18.237 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.880 8.471 -17.415 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.025 11.569 -14.581 1.00 0.00 N ATOM 1686 CA CYS A 108 -9.731 12.390 -13.573 1.00 0.00 C ATOM 1687 C CYS A 108 -9.606 13.897 -13.890 1.00 0.00 C ATOM 1688 O CYS A 108 -10.582 14.625 -13.749 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.213 12.106 -12.142 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.619 10.465 -11.494 1.00 0.00 S ATOM 0 H CYS A 108 -8.197 11.098 -14.217 1.00 0.00 H new ATOM 0 HA CYS A 108 -10.784 12.111 -13.618 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.130 12.226 -12.133 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.622 12.858 -11.468 1.00 0.00 H new ATOM 0 HG CYS A 108 -8.656 10.052 -10.725 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.410 14.333 -14.349 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.113 15.752 -14.656 1.00 0.00 C ATOM 1697 C ALA A 109 -9.000 16.269 -15.809 1.00 0.00 C ATOM 1698 O ALA A 109 -9.448 17.418 -15.794 1.00 0.00 O ATOM 1699 CB ALA A 109 -6.612 15.926 -14.979 1.00 0.00 C ATOM 0 H ALA A 109 -7.621 13.709 -14.517 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.344 16.352 -13.776 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -6.407 16.973 -15.203 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.017 15.615 -14.121 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.352 15.313 -15.842 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.260 15.386 -16.787 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.135 15.674 -17.938 1.00 0.00 C ATOM 1707 C ALA A 110 -11.620 15.502 -17.556 1.00 0.00 C ATOM 1708 O ALA A 110 -12.501 16.064 -18.214 1.00 0.00 O ATOM 1709 CB ALA A 110 -9.761 14.761 -19.119 1.00 0.00 C ATOM 0 H ALA A 110 -8.867 14.445 -16.802 1.00 0.00 H new ATOM 0 HA ALA A 110 -9.990 16.712 -18.239 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.411 14.978 -19.967 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.724 14.939 -19.402 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.883 13.718 -18.826 1.00 0.00 H new ATOM 1715 N ALA A 111 -11.881 14.709 -16.489 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.239 14.459 -15.962 1.00 0.00 C ATOM 1717 C ALA A 111 -13.669 15.516 -14.918 1.00 0.00 C ATOM 1718 O ALA A 111 -14.830 15.507 -14.498 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.330 13.042 -15.364 1.00 0.00 C ATOM 0 H ALA A 111 -11.150 14.224 -15.969 1.00 0.00 H new ATOM 0 HA ALA A 111 -13.930 14.539 -16.801 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.336 12.873 -14.980 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.108 12.306 -16.137 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.610 12.943 -14.551 1.00 0.00 H new