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 -129:sc= 1.63 USER MOD Set 1.2: A 87 CYS SG : rot 136:sc= 0.708 USER MOD Set 1.3: A 105 CYS SG : rot -42:sc= -1.04 USER MOD Set 1.4: A 108 CYS SG : rot 143:sc= -0.118 USER MOD Set 2.1: A 8 ASN : amide:sc= 0 X(o=-0.3,f=-0.3) USER MOD Set 2.2: A 11 SER OG : rot 180:sc= -0.303 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.754 X(o=-0.75,f=-0.33) USER MOD Single : A 24 TYR OH : rot 171:sc= 0.0938 USER MOD Single : A 28 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -1.07 F(o=-2.6!,f=-1.1) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -40:sc= 0.45 USER MOD Single : A 83 THR OG1 : 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+ -148:sc= -0.739 (180deg=-1.66!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -98:sc= 1.94 USER MOD Single : A 106 GLN : amide:sc= -0.0073 K(o=-0.0073,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 11.645 9.082 -10.989 1.00 0.00 N ATOM 97 CA ASN A 8 12.327 10.256 -10.417 1.00 0.00 C ATOM 98 C ASN A 8 11.363 11.140 -9.608 1.00 0.00 C ATOM 99 O ASN A 8 11.002 12.249 -10.028 1.00 0.00 O ATOM 100 CB ASN A 8 13.021 11.055 -11.550 1.00 0.00 C ATOM 101 CG ASN A 8 14.360 10.460 -11.966 1.00 0.00 C ATOM 102 OD1 ASN A 8 14.428 9.567 -12.808 1.00 0.00 O ATOM 103 ND2 ASN A 8 15.440 10.954 -11.367 1.00 0.00 N ATOM 0 HA ASN A 8 13.086 9.909 -9.716 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.361 11.092 -12.417 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.173 12.083 -11.221 1.00 0.00 H new ATOM 0 HD21 ASN A 8 16.364 10.592 -11.602 1.00 0.00 H new ATOM 0 HD22 ASN A 8 15.344 11.695 -10.673 1.00 0.00 H new ATOM 110 N VAL A 9 10.967 10.631 -8.433 1.00 0.00 N ATOM 111 CA VAL A 9 10.102 11.351 -7.486 1.00 0.00 C ATOM 112 C VAL A 9 10.886 12.517 -6.844 1.00 0.00 C ATOM 113 O VAL A 9 10.303 13.528 -6.469 1.00 0.00 O ATOM 114 CB VAL A 9 9.558 10.394 -6.355 1.00 0.00 C ATOM 115 CG1 VAL A 9 8.510 11.100 -5.484 1.00 0.00 C ATOM 116 CG2 VAL A 9 8.969 9.094 -6.931 1.00 0.00 C ATOM 0 H VAL A 9 11.239 9.702 -8.110 1.00 0.00 H new ATOM 0 HA VAL A 9 9.248 11.739 -8.041 1.00 0.00 H new ATOM 0 HB VAL A 9 10.414 10.131 -5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.155 10.414 -4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.958 11.974 -5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.671 11.413 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.607 8.466 -6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.142 9.334 -7.599 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.740 8.560 -7.486 1.00 0.00 H new ATOM 126 N GLU A 10 12.221 12.341 -6.731 1.00 0.00 N ATOM 127 CA GLU A 10 13.136 13.356 -6.172 1.00 0.00 C ATOM 128 C GLU A 10 13.250 14.577 -7.105 1.00 0.00 C ATOM 129 O GLU A 10 13.338 15.724 -6.644 1.00 0.00 O ATOM 130 CB GLU A 10 14.537 12.751 -5.935 1.00 0.00 C ATOM 131 CG GLU A 10 15.563 13.735 -5.330 1.00 0.00 C ATOM 132 CD GLU A 10 16.975 13.162 -5.256 1.00 0.00 C ATOM 133 OE1 GLU A 10 17.708 13.227 -6.267 1.00 0.00 O ATOM 134 OE2 GLU A 10 17.354 12.609 -4.197 1.00 0.00 O ATOM 0 H GLU A 10 12.694 11.487 -7.027 1.00 0.00 H new ATOM 0 HA GLU A 10 12.721 13.685 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.441 11.892 -5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 10 14.924 12.379 -6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.579 14.646 -5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.239 14.017 -4.328 1.00 0.00 H new ATOM 141 N SER A 11 13.261 14.315 -8.420 1.00 0.00 N ATOM 142 CA SER A 11 13.255 15.372 -9.441 1.00 0.00 C ATOM 143 C SER A 11 11.951 16.181 -9.346 1.00 0.00 C ATOM 144 O SER A 11 11.952 17.410 -9.475 1.00 0.00 O ATOM 145 CB SER A 11 13.428 14.745 -10.840 1.00 0.00 C ATOM 146 OG SER A 11 14.608 13.955 -10.893 1.00 0.00 O ATOM 0 H SER A 11 13.274 13.370 -8.804 1.00 0.00 H new ATOM 0 HA SER A 11 14.088 16.054 -9.270 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.561 14.129 -11.078 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.477 15.531 -11.593 1.00 0.00 H new ATOM 0 HG SER A 11 14.700 13.564 -11.787 1.00 0.00 H new ATOM 152 N TYR A 12 10.851 15.460 -9.065 1.00 0.00 N ATOM 153 CA TYR A 12 9.532 16.062 -8.843 1.00 0.00 C ATOM 154 C TYR A 12 9.494 16.822 -7.502 1.00 0.00 C ATOM 155 O TYR A 12 8.857 17.858 -7.419 1.00 0.00 O ATOM 156 CB TYR A 12 8.412 14.989 -8.912 1.00 0.00 C ATOM 157 CG TYR A 12 8.334 14.234 -10.258 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.617 14.869 -11.475 1.00 0.00 C ATOM 159 CD2 TYR A 12 7.966 12.886 -10.305 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.545 14.184 -12.669 1.00 0.00 C ATOM 161 CE2 TYR A 12 7.896 12.204 -11.499 1.00 0.00 C ATOM 162 CZ TYR A 12 8.179 12.855 -12.675 1.00 0.00 C ATOM 163 OH TYR A 12 8.096 12.176 -13.866 1.00 0.00 O ATOM 0 H TYR A 12 10.856 14.443 -8.986 1.00 0.00 H new ATOM 0 HA TYR A 12 9.351 16.782 -9.641 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.569 14.266 -8.112 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.452 15.470 -8.723 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.896 15.912 -11.477 1.00 0.00 H new ATOM 0 HD2 TYR A 12 7.732 12.369 -9.386 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.775 14.687 -13.597 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.619 11.160 -11.511 1.00 0.00 H new ATOM 0 HH TYR A 12 7.827 11.249 -13.696 1.00 0.00 H new ATOM 173 N GLU A 13 10.222 16.312 -6.485 1.00 0.00 N ATOM 174 CA GLU A 13 10.319 16.931 -5.137 1.00 0.00 C ATOM 175 C GLU A 13 10.798 18.386 -5.261 1.00 0.00 C ATOM 176 O GLU A 13 10.079 19.326 -4.912 1.00 0.00 O ATOM 177 CB GLU A 13 11.311 16.109 -4.219 1.00 0.00 C ATOM 178 CG GLU A 13 10.658 15.220 -3.141 1.00 0.00 C ATOM 179 CD GLU A 13 10.111 16.019 -1.940 1.00 0.00 C ATOM 180 OE1 GLU A 13 10.928 16.580 -1.180 1.00 0.00 O ATOM 181 OE2 GLU A 13 8.880 16.103 -1.747 1.00 0.00 O ATOM 0 H GLU A 13 10.764 15.453 -6.573 1.00 0.00 H new ATOM 0 HA GLU A 13 9.331 16.919 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.926 15.476 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.982 16.811 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.844 14.653 -3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.391 14.497 -2.784 1.00 0.00 H new ATOM 188 N LYS A 14 11.993 18.544 -5.849 1.00 0.00 N ATOM 189 CA LYS A 14 12.665 19.841 -5.944 1.00 0.00 C ATOM 190 C LYS A 14 11.902 20.817 -6.862 1.00 0.00 C ATOM 191 O LYS A 14 11.697 21.969 -6.477 1.00 0.00 O ATOM 192 CB LYS A 14 14.137 19.689 -6.421 1.00 0.00 C ATOM 193 CG LYS A 14 14.323 18.959 -7.780 1.00 0.00 C ATOM 194 CD LYS A 14 15.603 19.400 -8.524 1.00 0.00 C ATOM 195 CE LYS A 14 15.544 20.885 -8.945 1.00 0.00 C ATOM 196 NZ LYS A 14 16.838 21.364 -9.498 1.00 0.00 N ATOM 0 H LYS A 14 12.517 17.776 -6.270 1.00 0.00 H new ATOM 0 HA LYS A 14 12.674 20.262 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.581 20.681 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.695 19.147 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.360 17.883 -7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.456 19.151 -8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.469 19.239 -7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.741 18.778 -9.408 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.760 21.018 -9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.271 21.495 -8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.751 22.365 -9.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.582 21.262 -8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.087 20.801 -10.336 1.00 0.00 H new ATOM 210 N ILE A 15 11.456 20.348 -8.056 1.00 0.00 N ATOM 211 CA ILE A 15 10.821 21.232 -9.063 1.00 0.00 C ATOM 212 C ILE A 15 9.497 21.810 -8.521 1.00 0.00 C ATOM 213 O ILE A 15 9.182 22.972 -8.759 1.00 0.00 O ATOM 214 CB ILE A 15 10.594 20.502 -10.451 1.00 0.00 C ATOM 215 CG1 ILE A 15 10.241 21.532 -11.582 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.512 19.396 -10.358 1.00 0.00 C ATOM 217 CD1 ILE A 15 10.038 20.925 -12.964 1.00 0.00 C ATOM 0 H ILE A 15 11.524 19.371 -8.341 1.00 0.00 H new ATOM 0 HA ILE A 15 11.512 22.054 -9.249 1.00 0.00 H new ATOM 0 HB ILE A 15 11.534 20.016 -10.711 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.333 22.064 -11.298 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.039 22.272 -11.640 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.390 18.923 -11.333 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.819 18.648 -9.627 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.565 19.838 -10.049 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.798 21.714 -13.676 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.951 20.419 -13.277 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.219 20.207 -12.929 1.00 0.00 H new ATOM 229 N LEU A 16 8.767 20.993 -7.742 1.00 0.00 N ATOM 230 CA LEU A 16 7.517 21.409 -7.085 1.00 0.00 C ATOM 231 C LEU A 16 7.791 22.472 -6.017 1.00 0.00 C ATOM 232 O LEU A 16 7.009 23.406 -5.862 1.00 0.00 O ATOM 233 CB LEU A 16 6.796 20.184 -6.461 1.00 0.00 C ATOM 234 CG LEU A 16 6.108 19.221 -7.471 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.498 17.985 -6.760 1.00 0.00 C ATOM 236 CD2 LEU A 16 5.054 19.976 -8.299 1.00 0.00 C ATOM 0 H LEU A 16 9.028 20.026 -7.551 1.00 0.00 H new ATOM 0 HA LEU A 16 6.865 21.846 -7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.522 19.615 -5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.043 20.546 -5.761 1.00 0.00 H new ATOM 0 HG LEU A 16 6.871 18.846 -8.153 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.027 17.336 -7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.286 17.436 -6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.752 18.313 -6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.582 19.289 -9.001 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.297 20.391 -7.633 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.535 20.784 -8.851 1.00 0.00 H new ATOM 248 N ARG A 17 8.911 22.316 -5.295 1.00 0.00 N ATOM 249 CA ARG A 17 9.322 23.267 -4.250 1.00 0.00 C ATOM 250 C ARG A 17 9.821 24.592 -4.855 1.00 0.00 C ATOM 251 O ARG A 17 9.720 25.626 -4.211 1.00 0.00 O ATOM 252 CB ARG A 17 10.372 22.621 -3.316 1.00 0.00 C ATOM 253 CG ARG A 17 9.812 21.392 -2.571 1.00 0.00 C ATOM 254 CD ARG A 17 10.811 20.700 -1.637 1.00 0.00 C ATOM 255 NE ARG A 17 10.222 19.474 -1.067 1.00 0.00 N ATOM 256 CZ ARG A 17 9.458 19.402 0.037 1.00 0.00 C ATOM 257 NH1 ARG A 17 9.162 20.490 0.746 1.00 0.00 N ATOM 258 NH2 ARG A 17 8.979 18.223 0.415 1.00 0.00 N ATOM 0 H ARG A 17 9.553 21.533 -5.417 1.00 0.00 H new ATOM 0 HA ARG A 17 8.448 23.513 -3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.242 22.324 -3.901 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.713 23.359 -2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.945 21.702 -1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.460 20.668 -3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.720 20.453 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.098 21.379 -0.835 1.00 0.00 H new ATOM 0 HE ARG A 17 10.412 18.599 -1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.517 21.401 0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.581 20.412 1.580 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.192 17.387 -0.130 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.398 18.153 1.250 1.00 0.00 H new ATOM 272 N ASP A 18 10.323 24.548 -6.098 1.00 0.00 N ATOM 273 CA ASP A 18 10.712 25.762 -6.851 1.00 0.00 C ATOM 274 C ASP A 18 9.457 26.513 -7.341 1.00 0.00 C ATOM 275 O ASP A 18 9.399 27.749 -7.300 1.00 0.00 O ATOM 276 CB ASP A 18 11.618 25.393 -8.055 1.00 0.00 C ATOM 277 CG ASP A 18 13.004 24.873 -7.647 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.740 25.620 -6.971 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.382 23.740 -8.024 1.00 0.00 O ATOM 0 H ASP A 18 10.472 23.679 -6.611 1.00 0.00 H new ATOM 0 HA ASP A 18 11.274 26.414 -6.183 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.117 24.634 -8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.741 26.271 -8.689 1.00 0.00 H new ATOM 284 N ARG A 19 8.451 25.735 -7.795 1.00 0.00 N ATOM 285 CA ARG A 19 7.151 26.277 -8.247 1.00 0.00 C ATOM 286 C ARG A 19 6.384 26.881 -7.066 1.00 0.00 C ATOM 287 O ARG A 19 5.771 27.929 -7.200 1.00 0.00 O ATOM 288 CB ARG A 19 6.296 25.182 -8.964 1.00 0.00 C ATOM 289 CG ARG A 19 6.483 25.066 -10.499 1.00 0.00 C ATOM 290 CD ARG A 19 7.941 24.861 -10.941 1.00 0.00 C ATOM 291 NE ARG A 19 8.729 26.110 -10.989 1.00 0.00 N ATOM 292 CZ ARG A 19 10.065 26.168 -11.126 1.00 0.00 C ATOM 293 NH1 ARG A 19 10.780 25.060 -11.256 1.00 0.00 N ATOM 294 NH2 ARG A 19 10.681 27.342 -11.133 1.00 0.00 N ATOM 0 H ARG A 19 8.516 24.719 -7.858 1.00 0.00 H new ATOM 0 HA ARG A 19 7.349 27.066 -8.972 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.530 24.216 -8.516 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.244 25.381 -8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.883 24.233 -10.865 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.095 25.969 -10.971 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.424 24.163 -10.257 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.950 24.398 -11.928 1.00 0.00 H new ATOM 0 HE ARG A 19 8.223 26.992 -10.913 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.317 24.151 -11.253 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.793 25.116 -11.359 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.141 28.202 -11.034 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.695 27.385 -11.237 1.00 0.00 H new ATOM 308 N GLN A 20 6.435 26.217 -5.907 1.00 0.00 N ATOM 309 CA GLN A 20 5.762 26.715 -4.695 1.00 0.00 C ATOM 310 C GLN A 20 6.509 27.952 -4.157 1.00 0.00 C ATOM 311 O GLN A 20 5.877 28.827 -3.623 1.00 0.00 O ATOM 312 CB GLN A 20 5.584 25.598 -3.610 1.00 0.00 C ATOM 313 CG GLN A 20 6.760 25.393 -2.629 1.00 0.00 C ATOM 314 CD GLN A 20 6.548 24.274 -1.589 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.510 23.634 -1.153 1.00 0.00 O ATOM 316 NE2 GLN A 20 5.305 24.039 -1.165 1.00 0.00 N ATOM 0 H GLN A 20 6.933 25.336 -5.779 1.00 0.00 H new ATOM 0 HA GLN A 20 4.750 27.019 -4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.691 25.827 -3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.398 24.653 -4.121 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.659 25.170 -3.203 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.942 26.330 -2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.527 24.581 -1.541 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.133 23.317 -0.465 1.00 0.00 H new ATOM 325 N ARG A 21 7.855 28.036 -4.349 1.00 0.00 N ATOM 326 CA ARG A 21 8.655 29.241 -3.966 1.00 0.00 C ATOM 327 C ARG A 21 8.090 30.509 -4.652 1.00 0.00 C ATOM 328 O ARG A 21 7.743 31.495 -3.976 1.00 0.00 O ATOM 329 CB ARG A 21 10.172 29.070 -4.338 1.00 0.00 C ATOM 330 CG ARG A 21 11.036 28.280 -3.318 1.00 0.00 C ATOM 331 CD ARG A 21 12.475 28.038 -3.830 1.00 0.00 C ATOM 332 NE ARG A 21 13.345 27.408 -2.807 1.00 0.00 N ATOM 333 CZ ARG A 21 14.251 26.437 -3.042 1.00 0.00 C ATOM 334 NH1 ARG A 21 14.405 25.923 -4.252 1.00 0.00 N ATOM 335 NH2 ARG A 21 15.018 25.993 -2.059 1.00 0.00 N ATOM 0 H ARG A 21 8.410 27.288 -4.765 1.00 0.00 H new ATOM 0 HA ARG A 21 8.579 29.351 -2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.235 28.568 -5.304 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.609 30.061 -4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.075 28.828 -2.377 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.561 27.321 -3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.440 27.401 -4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.912 28.988 -4.138 1.00 0.00 H new ATOM 0 HE ARG A 21 13.250 27.736 -1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.833 26.261 -5.026 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.096 25.189 -4.410 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.924 26.385 -1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.703 25.259 -2.238 1.00 0.00 H new ATOM 349 N GLU A 22 7.978 30.444 -5.996 1.00 0.00 N ATOM 350 CA GLU A 22 7.525 31.585 -6.822 1.00 0.00 C ATOM 351 C GLU A 22 6.033 31.921 -6.573 1.00 0.00 C ATOM 352 O GLU A 22 5.645 33.094 -6.572 1.00 0.00 O ATOM 353 CB GLU A 22 7.818 31.322 -8.333 1.00 0.00 C ATOM 354 CG GLU A 22 7.143 30.069 -8.932 1.00 0.00 C ATOM 355 CD GLU A 22 7.480 29.836 -10.413 1.00 0.00 C ATOM 356 OE1 GLU A 22 6.775 30.375 -11.292 1.00 0.00 O ATOM 357 OE2 GLU A 22 8.451 29.115 -10.702 1.00 0.00 O ATOM 0 H GLU A 22 8.197 29.607 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 22 8.095 32.463 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.499 32.194 -8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.896 31.231 -8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.446 29.194 -8.357 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.062 30.162 -8.824 1.00 0.00 H new ATOM 364 N LEU A 23 5.213 30.883 -6.327 1.00 0.00 N ATOM 365 CA LEU A 23 3.782 31.053 -6.007 1.00 0.00 C ATOM 366 C LEU A 23 3.589 31.696 -4.623 1.00 0.00 C ATOM 367 O LEU A 23 2.867 32.686 -4.509 1.00 0.00 O ATOM 368 CB LEU A 23 3.035 29.705 -6.076 1.00 0.00 C ATOM 369 CG LEU A 23 2.890 29.065 -7.489 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.294 27.651 -7.375 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.056 29.964 -8.437 1.00 0.00 C ATOM 0 H LEU A 23 5.519 29.910 -6.344 1.00 0.00 H new ATOM 0 HA LEU A 23 3.360 31.723 -6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.552 28.995 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.037 29.846 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 23 3.883 28.979 -7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.198 27.215 -8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.950 27.028 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.311 27.707 -6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.975 29.487 -9.414 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.059 30.107 -8.019 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.546 30.932 -8.546 1.00 0.00 H new ATOM 383 N TYR A 24 4.264 31.127 -3.597 1.00 0.00 N ATOM 384 CA TYR A 24 4.188 31.583 -2.180 1.00 0.00 C ATOM 385 C TYR A 24 4.442 33.093 -2.073 1.00 0.00 C ATOM 386 O TYR A 24 3.696 33.798 -1.395 1.00 0.00 O ATOM 387 CB TYR A 24 5.200 30.808 -1.256 1.00 0.00 C ATOM 388 CG TYR A 24 4.617 29.587 -0.496 1.00 0.00 C ATOM 389 CD1 TYR A 24 3.812 29.765 0.629 1.00 0.00 C ATOM 390 CD2 TYR A 24 4.878 28.268 -0.881 1.00 0.00 C ATOM 391 CE1 TYR A 24 3.303 28.683 1.320 1.00 0.00 C ATOM 392 CE2 TYR A 24 4.370 27.190 -0.188 1.00 0.00 C ATOM 393 CZ TYR A 24 3.581 27.402 0.907 1.00 0.00 C ATOM 394 OH TYR A 24 3.085 26.329 1.608 1.00 0.00 O ATOM 0 H TYR A 24 4.885 30.329 -3.726 1.00 0.00 H new ATOM 0 HA TYR A 24 3.178 31.365 -1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.035 30.467 -1.868 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.606 31.508 -0.525 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.583 30.765 0.965 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.497 28.088 -1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.683 28.844 2.190 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.594 26.184 -0.509 1.00 0.00 H new ATOM 0 HH TYR A 24 3.258 25.504 1.109 1.00 0.00 H new ATOM 404 N ARG A 25 5.486 33.574 -2.766 1.00 0.00 N ATOM 405 CA ARG A 25 5.853 35.001 -2.737 1.00 0.00 C ATOM 406 C ARG A 25 4.884 35.861 -3.586 1.00 0.00 C ATOM 407 O ARG A 25 4.638 37.020 -3.238 1.00 0.00 O ATOM 408 CB ARG A 25 7.319 35.231 -3.193 1.00 0.00 C ATOM 409 CG ARG A 25 7.612 34.858 -4.663 1.00 0.00 C ATOM 410 CD ARG A 25 8.966 35.390 -5.141 1.00 0.00 C ATOM 411 NE ARG A 25 9.028 36.859 -5.031 1.00 0.00 N ATOM 412 CZ ARG A 25 10.144 37.593 -5.119 1.00 0.00 C ATOM 413 NH1 ARG A 25 11.323 37.026 -5.339 1.00 0.00 N ATOM 414 NH2 ARG A 25 10.075 38.903 -4.987 1.00 0.00 N ATOM 0 H ARG A 25 6.090 32.998 -3.352 1.00 0.00 H new ATOM 0 HA ARG A 25 5.769 35.320 -1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.569 36.281 -3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.979 34.651 -2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.592 33.774 -4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.823 35.256 -5.300 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.765 34.944 -4.549 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.132 35.092 -6.176 1.00 0.00 H new ATOM 0 HE ARG A 25 8.151 37.356 -4.875 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.390 36.014 -5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.162 37.602 -5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.175 39.352 -4.819 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.922 39.468 -5.053 1.00 0.00 H new ATOM 428 N ARG A 26 4.337 35.300 -4.698 1.00 0.00 N ATOM 429 CA ARG A 26 3.438 36.074 -5.597 1.00 0.00 C ATOM 430 C ARG A 26 2.041 36.279 -4.960 1.00 0.00 C ATOM 431 O ARG A 26 1.347 37.247 -5.274 1.00 0.00 O ATOM 432 CB ARG A 26 3.319 35.444 -7.030 1.00 0.00 C ATOM 433 CG ARG A 26 2.281 34.307 -7.200 1.00 0.00 C ATOM 434 CD ARG A 26 1.873 34.068 -8.670 1.00 0.00 C ATOM 435 NE ARG A 26 1.168 35.245 -9.231 1.00 0.00 N ATOM 436 CZ ARG A 26 0.436 35.264 -10.364 1.00 0.00 C ATOM 437 NH1 ARG A 26 0.328 34.187 -11.129 1.00 0.00 N ATOM 438 NH2 ARG A 26 -0.178 36.377 -10.725 1.00 0.00 N ATOM 0 H ARG A 26 4.498 34.336 -4.989 1.00 0.00 H new ATOM 0 HA ARG A 26 3.901 37.052 -5.724 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.072 36.239 -7.733 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.298 35.058 -7.316 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.692 33.385 -6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.391 34.546 -6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.760 33.855 -9.266 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.229 33.191 -8.733 1.00 0.00 H new ATOM 0 HE ARG A 26 1.243 36.121 -8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.803 33.324 -10.865 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.230 34.221 -11.982 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.097 37.214 -10.148 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.733 36.399 -11.580 1.00 0.00 H new ATOM 452 N LEU A 27 1.628 35.350 -4.072 1.00 0.00 N ATOM 453 CA LEU A 27 0.346 35.468 -3.336 1.00 0.00 C ATOM 454 C LEU A 27 0.562 36.231 -2.023 1.00 0.00 C ATOM 455 O LEU A 27 -0.315 36.988 -1.594 1.00 0.00 O ATOM 456 CB LEU A 27 -0.331 34.074 -3.144 1.00 0.00 C ATOM 457 CG LEU A 27 0.508 32.917 -2.490 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.499 32.938 -0.953 1.00 0.00 C ATOM 459 CD2 LEU A 27 0.057 31.549 -3.007 1.00 0.00 C ATOM 0 H LEU A 27 2.161 34.510 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.357 36.052 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.224 34.220 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.664 33.729 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 27 1.539 33.095 -2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.099 32.110 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.917 33.881 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.525 32.838 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.655 30.768 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.995 31.397 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.189 31.507 -4.088 1.00 0.00 H new ATOM 471 N HIS A 28 1.766 36.078 -1.427 1.00 0.00 N ATOM 472 CA HIS A 28 2.222 36.918 -0.291 1.00 0.00 C ATOM 473 C HIS A 28 2.881 38.217 -0.815 1.00 0.00 C ATOM 474 O HIS A 28 3.738 38.757 -0.152 1.00 0.00 O ATOM 475 CB HIS A 28 3.229 36.152 0.636 1.00 0.00 C ATOM 476 CG HIS A 28 2.603 35.226 1.643 1.00 0.00 C ATOM 477 ND1 HIS A 28 2.080 35.679 2.825 1.00 0.00 N ATOM 478 CD2 HIS A 28 2.469 33.878 1.676 1.00 0.00 C ATOM 479 CE1 HIS A 28 1.649 34.664 3.533 1.00 0.00 C ATOM 480 NE2 HIS A 28 1.873 33.553 2.863 1.00 0.00 N ATOM 0 H HIS A 28 2.446 35.375 -1.716 1.00 0.00 H new ATOM 0 HA HIS A 28 1.342 37.167 0.302 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.907 35.574 0.008 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.835 36.885 1.169 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.777 33.187 0.906 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.186 34.728 4.507 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.641 32.610 3.176 1.00 0.00 H new ATOM 932 N LEU A 58 -4.510 36.615 -1.310 1.00 0.00 N ATOM 933 CA LEU A 58 -3.711 35.604 -2.015 1.00 0.00 C ATOM 934 C LEU A 58 -4.323 35.367 -3.407 1.00 0.00 C ATOM 935 O LEU A 58 -5.556 35.384 -3.550 1.00 0.00 O ATOM 936 CB LEU A 58 -3.663 34.277 -1.216 1.00 0.00 C ATOM 937 CG LEU A 58 -3.264 34.367 0.292 1.00 0.00 C ATOM 938 CD1 LEU A 58 -3.166 32.958 0.908 1.00 0.00 C ATOM 939 CD2 LEU A 58 -1.960 35.165 0.512 1.00 0.00 C ATOM 0 HA LEU A 58 -2.688 35.966 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.645 33.809 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.960 33.609 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.053 34.918 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.887 33.039 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.131 32.457 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.411 32.380 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.728 35.197 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.143 34.681 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.087 36.181 0.138 1.00 0.00 H new ATOM 951 N GLY A 59 -3.458 35.155 -4.418 1.00 0.00 N ATOM 952 CA GLY A 59 -3.896 34.878 -5.792 1.00 0.00 C ATOM 953 C GLY A 59 -4.647 33.547 -5.906 1.00 0.00 C ATOM 954 O GLY A 59 -4.277 32.582 -5.236 1.00 0.00 O ATOM 0 H GLY A 59 -2.445 35.172 -4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.541 35.687 -6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.028 34.860 -6.451 1.00 0.00 H new ATOM 958 N GLN A 60 -5.694 33.516 -6.758 1.00 0.00 N ATOM 959 CA GLN A 60 -6.548 32.326 -6.990 1.00 0.00 C ATOM 960 C GLN A 60 -5.712 31.123 -7.485 1.00 0.00 C ATOM 961 O GLN A 60 -5.789 30.021 -6.926 1.00 0.00 O ATOM 962 CB GLN A 60 -7.660 32.677 -8.026 1.00 0.00 C ATOM 963 CG GLN A 60 -8.668 31.542 -8.311 1.00 0.00 C ATOM 964 CD GLN A 60 -9.737 31.914 -9.348 1.00 0.00 C ATOM 965 OE1 GLN A 60 -9.580 31.671 -10.545 1.00 0.00 O ATOM 966 NE2 GLN A 60 -10.823 32.520 -8.895 1.00 0.00 N ATOM 0 H GLN A 60 -5.975 34.325 -7.312 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.009 32.041 -6.044 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.208 33.548 -7.667 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -7.184 32.964 -8.964 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.124 30.664 -8.661 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.160 31.262 -7.379 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.924 32.707 -7.897 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.559 32.799 -9.543 1.00 0.00 H new ATOM 975 N VAL A 61 -4.897 31.372 -8.530 1.00 0.00 N ATOM 976 CA VAL A 61 -3.974 30.368 -9.104 1.00 0.00 C ATOM 977 C VAL A 61 -2.926 29.912 -8.065 1.00 0.00 C ATOM 978 O VAL A 61 -2.524 28.749 -8.052 1.00 0.00 O ATOM 979 CB VAL A 61 -3.259 30.931 -10.397 1.00 0.00 C ATOM 980 CG1 VAL A 61 -2.392 32.187 -10.093 1.00 0.00 C ATOM 981 CG2 VAL A 61 -2.430 29.827 -11.113 1.00 0.00 C ATOM 0 H VAL A 61 -4.859 32.276 -9.001 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.569 29.500 -9.389 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.047 31.251 -11.079 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.922 32.536 -11.012 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.025 32.976 -9.687 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.621 31.930 -9.366 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.952 30.247 -11.998 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.667 29.447 -10.434 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.090 29.012 -11.410 1.00 0.00 H new ATOM 991 N GLY A 62 -2.529 30.854 -7.188 1.00 0.00 N ATOM 992 CA GLY A 62 -1.530 30.604 -6.161 1.00 0.00 C ATOM 993 C GLY A 62 -2.017 29.619 -5.102 1.00 0.00 C ATOM 994 O GLY A 62 -1.341 28.641 -4.830 1.00 0.00 O ATOM 0 H GLY A 62 -2.898 31.805 -7.181 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.624 30.215 -6.626 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.262 31.546 -5.682 1.00 0.00 H new ATOM 998 N GLN A 63 -3.208 29.891 -4.528 1.00 0.00 N ATOM 999 CA GLN A 63 -3.834 29.053 -3.476 1.00 0.00 C ATOM 1000 C GLN A 63 -4.136 27.640 -3.999 1.00 0.00 C ATOM 1001 O GLN A 63 -3.885 26.649 -3.312 1.00 0.00 O ATOM 1002 CB GLN A 63 -5.157 29.704 -2.992 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.999 31.027 -2.217 1.00 0.00 C ATOM 1004 CD GLN A 63 -6.341 31.691 -1.865 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -6.415 32.365 -0.727 1.00 0.00 O flip ATOM 1006 NE2 GLN A 63 -7.310 31.588 -2.609 1.00 0.00 N flip ATOM 0 H GLN A 63 -3.769 30.704 -4.782 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.130 28.980 -2.647 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.792 29.885 -3.860 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.682 28.991 -2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.443 30.838 -1.298 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.404 31.720 -2.812 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.230 31.064 -3.481 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.196 32.026 -2.356 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.683 27.583 -5.229 1.00 0.00 N ATOM 1016 CA ASP A 64 -5.098 26.320 -5.874 1.00 0.00 C ATOM 1017 C ASP A 64 -3.888 25.423 -6.152 1.00 0.00 C ATOM 1018 O ASP A 64 -3.903 24.228 -5.836 1.00 0.00 O ATOM 1019 CB ASP A 64 -5.852 26.605 -7.203 1.00 0.00 C ATOM 1020 CG ASP A 64 -6.259 25.320 -7.960 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -7.172 24.611 -7.484 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -5.662 25.005 -9.016 1.00 0.00 O ATOM 0 H ASP A 64 -4.850 28.409 -5.803 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.768 25.802 -5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.746 27.191 -6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.220 27.214 -7.849 1.00 0.00 H new ATOM 1027 N GLU A 65 -2.842 26.021 -6.745 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.651 25.276 -7.165 1.00 0.00 C ATOM 1029 C GLU A 65 -0.754 24.957 -5.961 1.00 0.00 C ATOM 1030 O GLU A 65 -0.052 23.964 -5.983 1.00 0.00 O ATOM 1031 CB GLU A 65 -0.888 26.031 -8.279 1.00 0.00 C ATOM 1032 CG GLU A 65 0.075 25.132 -9.091 1.00 0.00 C ATOM 1033 CD GLU A 65 0.644 25.798 -10.355 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -0.117 25.970 -11.333 1.00 0.00 O ATOM 1035 OE2 GLU A 65 1.847 26.138 -10.389 1.00 0.00 O ATOM 0 H GLU A 65 -2.800 27.021 -6.943 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.971 24.324 -7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.610 26.483 -8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.319 26.845 -7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.903 24.832 -8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.451 24.222 -9.379 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.813 25.803 -4.904 1.00 0.00 N ATOM 1043 CA LEU A 66 -0.178 25.510 -3.588 1.00 0.00 C ATOM 1044 C LEU A 66 -0.771 24.223 -3.017 1.00 0.00 C ATOM 1045 O LEU A 66 -0.064 23.340 -2.571 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.398 26.686 -2.564 1.00 0.00 C ATOM 1047 CG LEU A 66 0.875 27.468 -2.130 1.00 0.00 C ATOM 1048 CD1 LEU A 66 1.595 28.077 -3.342 1.00 0.00 C ATOM 1049 CD2 LEU A 66 0.528 28.547 -1.079 1.00 0.00 C ATOM 0 H LEU A 66 -1.296 26.701 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 66 0.894 25.396 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.102 27.394 -3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.870 26.278 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 66 1.561 26.760 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.480 28.617 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.893 27.282 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.924 28.765 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.434 29.080 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.188 29.251 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.092 28.072 -0.200 1.00 0.00 H new ATOM 1061 N ARG A 67 -2.100 24.163 -3.065 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.887 23.038 -2.550 1.00 0.00 C ATOM 1063 C ARG A 67 -2.510 21.738 -3.289 1.00 0.00 C ATOM 1064 O ARG A 67 -2.425 20.683 -2.682 1.00 0.00 O ATOM 1065 CB ARG A 67 -4.387 23.371 -2.724 1.00 0.00 C ATOM 1066 CG ARG A 67 -5.365 22.542 -1.873 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.825 22.932 -2.174 1.00 0.00 C ATOM 1068 NE ARG A 67 -7.762 22.556 -1.108 1.00 0.00 N ATOM 1069 CZ ARG A 67 -9.065 22.898 -1.094 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -9.639 23.467 -2.157 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -9.797 22.648 -0.026 1.00 0.00 N ATOM 0 H ARG A 67 -2.672 24.905 -3.469 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.675 22.881 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.535 24.425 -2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.649 23.240 -3.774 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.219 21.481 -2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.154 22.697 -0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.880 24.009 -2.332 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.136 22.457 -3.104 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.404 22.002 -0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.090 23.649 -2.997 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.627 23.719 -2.129 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.376 22.197 0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.784 22.906 -0.012 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.253 21.870 -4.607 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.871 20.754 -5.493 1.00 0.00 C ATOM 1087 C ALA A 68 -0.401 20.323 -5.271 1.00 0.00 C ATOM 1088 O ALA A 68 -0.098 19.124 -5.276 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.093 21.162 -6.962 1.00 0.00 C ATOM 0 H ALA A 68 -2.306 22.767 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.501 19.898 -5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.810 20.337 -7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.144 21.404 -7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.482 22.034 -7.194 1.00 0.00 H new ATOM 1095 N ILE A 69 0.497 21.315 -5.067 1.00 0.00 N ATOM 1096 CA ILE A 69 1.950 21.086 -4.896 1.00 0.00 C ATOM 1097 C ILE A 69 2.237 20.511 -3.504 1.00 0.00 C ATOM 1098 O ILE A 69 2.821 19.444 -3.392 1.00 0.00 O ATOM 1099 CB ILE A 69 2.779 22.416 -5.125 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.760 22.831 -6.635 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.236 22.289 -4.615 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.442 24.148 -6.951 1.00 0.00 C ATOM 0 H ILE A 69 0.233 22.299 -5.016 1.00 0.00 H new ATOM 0 HA ILE A 69 2.265 20.365 -5.650 1.00 0.00 H new ATOM 0 HB ILE A 69 2.296 23.199 -4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.238 22.044 -7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.723 22.888 -6.967 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.767 23.224 -4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.230 22.073 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.738 21.480 -5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.375 24.345 -8.021 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.952 24.952 -6.402 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.490 24.095 -6.657 1.00 0.00 H new ATOM 1114 N ASP A 70 1.826 21.254 -2.459 1.00 0.00 N ATOM 1115 CA ASP A 70 1.961 20.845 -1.042 1.00 0.00 C ATOM 1116 C ASP A 70 1.287 19.481 -0.772 1.00 0.00 C ATOM 1117 O ASP A 70 1.785 18.712 0.059 1.00 0.00 O ATOM 1118 CB ASP A 70 1.396 21.959 -0.101 1.00 0.00 C ATOM 1119 CG ASP A 70 2.331 23.192 0.000 1.00 0.00 C ATOM 1120 OD1 ASP A 70 2.287 24.071 -0.896 1.00 0.00 O ATOM 1121 OD2 ASP A 70 3.133 23.274 0.965 1.00 0.00 O ATOM 0 H ASP A 70 1.385 22.167 -2.573 1.00 0.00 H new ATOM 0 HA ASP A 70 3.022 20.719 -0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.420 22.278 -0.468 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.242 21.543 0.895 1.00 0.00 H new ATOM 1126 N ALA A 71 0.166 19.180 -1.484 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.461 17.836 -1.446 1.00 0.00 C ATOM 1128 C ALA A 71 0.499 16.785 -2.020 1.00 0.00 C ATOM 1129 O ALA A 71 0.771 15.785 -1.371 1.00 0.00 O ATOM 1130 CB ALA A 71 -1.795 17.797 -2.214 1.00 0.00 C ATOM 0 H ALA A 71 -0.316 19.847 -2.086 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.672 17.608 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.217 16.794 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.491 18.509 -1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.622 18.061 -3.257 1.00 0.00 H new ATOM 1136 N ALA A 72 1.025 17.065 -3.231 1.00 0.00 N ATOM 1137 CA ALA A 72 1.931 16.157 -3.968 1.00 0.00 C ATOM 1138 C ALA A 72 3.204 15.836 -3.150 1.00 0.00 C ATOM 1139 O ALA A 72 3.583 14.675 -3.035 1.00 0.00 O ATOM 1140 CB ALA A 72 2.292 16.772 -5.331 1.00 0.00 C ATOM 0 H ALA A 72 0.832 17.934 -3.729 1.00 0.00 H new ATOM 0 HA ALA A 72 1.410 15.214 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.959 16.099 -5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.383 16.924 -5.914 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.789 17.730 -5.178 1.00 0.00 H new ATOM 1146 N LEU A 73 3.795 16.883 -2.545 1.00 0.00 N ATOM 1147 CA LEU A 73 5.012 16.795 -1.699 1.00 0.00 C ATOM 1148 C LEU A 73 4.754 15.970 -0.425 1.00 0.00 C ATOM 1149 O LEU A 73 5.621 15.214 0.027 1.00 0.00 O ATOM 1150 CB LEU A 73 5.486 18.221 -1.309 1.00 0.00 C ATOM 1151 CG LEU A 73 5.953 19.134 -2.488 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.245 20.567 -1.996 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.175 18.528 -3.218 1.00 0.00 C ATOM 0 H LEU A 73 3.437 17.835 -2.629 1.00 0.00 H new ATOM 0 HA LEU A 73 5.787 16.293 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.671 18.723 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.309 18.128 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 73 5.138 19.191 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.568 21.181 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.341 20.994 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.032 20.540 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.476 19.187 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.001 18.419 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.910 17.550 -3.621 1.00 0.00 H new ATOM 1165 N ALA A 74 3.547 16.147 0.147 1.00 0.00 N ATOM 1166 CA ALA A 74 3.090 15.385 1.327 1.00 0.00 C ATOM 1167 C ALA A 74 2.878 13.899 0.969 1.00 0.00 C ATOM 1168 O ALA A 74 3.112 13.021 1.800 1.00 0.00 O ATOM 1169 CB ALA A 74 1.794 15.994 1.892 1.00 0.00 C ATOM 0 H ALA A 74 2.862 16.821 -0.195 1.00 0.00 H new ATOM 0 HA ALA A 74 3.863 15.444 2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.471 15.421 2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.976 17.028 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.016 15.966 1.129 1.00 0.00 H new ATOM 1175 N ARG A 75 2.444 13.645 -0.286 1.00 0.00 N ATOM 1176 CA ARG A 75 2.245 12.282 -0.820 1.00 0.00 C ATOM 1177 C ARG A 75 3.589 11.614 -1.141 1.00 0.00 C ATOM 1178 O ARG A 75 3.673 10.391 -1.150 1.00 0.00 O ATOM 1179 CB ARG A 75 1.324 12.287 -2.071 1.00 0.00 C ATOM 1180 CG ARG A 75 -0.099 12.802 -1.787 1.00 0.00 C ATOM 1181 CD ARG A 75 -1.035 12.737 -3.011 1.00 0.00 C ATOM 1182 NE ARG A 75 -2.343 13.371 -2.751 1.00 0.00 N ATOM 1183 CZ ARG A 75 -3.268 12.938 -1.867 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -3.071 11.854 -1.124 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -4.410 13.588 -1.750 1.00 0.00 N ATOM 0 H ARG A 75 2.222 14.381 -0.956 1.00 0.00 H new ATOM 0 HA ARG A 75 1.749 11.699 -0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.778 12.907 -2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.262 11.275 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.533 12.217 -0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.040 13.833 -1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.557 13.230 -3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.188 11.695 -3.293 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.568 14.210 -3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.203 11.325 -1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.788 11.551 -0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.589 14.411 -2.325 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.114 13.267 -1.085 1.00 0.00 H new ATOM 1199 N ILE A 76 4.626 12.427 -1.416 1.00 0.00 N ATOM 1200 CA ILE A 76 6.007 11.928 -1.583 1.00 0.00 C ATOM 1201 C ILE A 76 6.552 11.483 -0.212 1.00 0.00 C ATOM 1202 O ILE A 76 7.100 10.388 -0.073 1.00 0.00 O ATOM 1203 CB ILE A 76 6.958 13.010 -2.224 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.418 13.445 -3.631 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.410 12.468 -2.316 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.143 14.600 -4.304 1.00 0.00 C ATOM 0 H ILE A 76 4.534 13.437 -1.528 1.00 0.00 H new ATOM 0 HA ILE A 76 5.981 11.082 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 76 6.972 13.892 -1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.460 12.582 -4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.367 13.716 -3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.054 13.227 -2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.772 12.225 -1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.425 11.571 -2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.679 14.808 -5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.080 15.486 -3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.189 14.335 -4.454 1.00 0.00 H new ATOM 1218 N ALA A 77 6.341 12.343 0.799 1.00 0.00 N ATOM 1219 CA ALA A 77 6.715 12.071 2.204 1.00 0.00 C ATOM 1220 C ALA A 77 5.913 10.878 2.780 1.00 0.00 C ATOM 1221 O ALA A 77 6.363 10.205 3.711 1.00 0.00 O ATOM 1222 CB ALA A 77 6.502 13.341 3.046 1.00 0.00 C ATOM 0 H ALA A 77 5.903 13.255 0.667 1.00 0.00 H new ATOM 0 HA ALA A 77 7.769 11.794 2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.777 13.141 4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.124 14.146 2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.454 13.637 3.000 1.00 0.00 H new ATOM 1228 N SER A 78 4.714 10.642 2.209 1.00 0.00 N ATOM 1229 CA SER A 78 3.859 9.488 2.538 1.00 0.00 C ATOM 1230 C SER A 78 4.280 8.237 1.737 1.00 0.00 C ATOM 1231 O SER A 78 4.116 7.110 2.208 1.00 0.00 O ATOM 1232 CB SER A 78 2.382 9.839 2.254 1.00 0.00 C ATOM 1233 OG SER A 78 1.510 8.786 2.626 1.00 0.00 O ATOM 0 H SER A 78 4.310 11.254 1.500 1.00 0.00 H new ATOM 0 HA SER A 78 3.977 9.259 3.597 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.112 10.744 2.799 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.258 10.056 1.193 1.00 0.00 H new ATOM 0 HG SER A 78 0.584 9.044 2.433 1.00 0.00 H new ATOM 1239 N GLY A 79 4.833 8.457 0.526 1.00 0.00 N ATOM 1240 CA GLY A 79 5.225 7.370 -0.387 1.00 0.00 C ATOM 1241 C GLY A 79 4.072 6.862 -1.260 1.00 0.00 C ATOM 1242 O GLY A 79 4.171 5.789 -1.864 1.00 0.00 O ATOM 0 H GLY A 79 5.019 9.390 0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.032 7.720 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.621 6.540 0.198 1.00 0.00 H new ATOM 1246 N THR A 80 2.974 7.638 -1.320 1.00 0.00 N ATOM 1247 CA THR A 80 1.786 7.322 -2.145 1.00 0.00 C ATOM 1248 C THR A 80 1.719 8.245 -3.393 1.00 0.00 C ATOM 1249 O THR A 80 0.723 8.234 -4.132 1.00 0.00 O ATOM 1250 CB THR A 80 0.474 7.437 -1.287 1.00 0.00 C ATOM 1251 OG1 THR A 80 -0.675 6.968 -2.021 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.214 8.877 -0.806 1.00 0.00 C ATOM 0 H THR A 80 2.882 8.508 -0.795 1.00 0.00 H new ATOM 0 HA THR A 80 1.874 6.294 -2.495 1.00 0.00 H new ATOM 0 HB THR A 80 0.628 6.805 -0.412 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.609 7.260 -2.954 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.703 8.904 -0.218 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.049 9.212 -0.191 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.112 9.536 -1.668 1.00 0.00 H new ATOM 1260 N PHE A 81 2.783 9.047 -3.622 1.00 0.00 N ATOM 1261 CA PHE A 81 2.931 9.832 -4.863 1.00 0.00 C ATOM 1262 C PHE A 81 3.151 8.875 -6.053 1.00 0.00 C ATOM 1263 O PHE A 81 3.811 7.837 -5.913 1.00 0.00 O ATOM 1264 CB PHE A 81 4.104 10.834 -4.741 1.00 0.00 C ATOM 1265 CG PHE A 81 4.266 11.781 -5.943 1.00 0.00 C ATOM 1266 CD1 PHE A 81 3.478 12.929 -6.059 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.196 11.518 -6.951 1.00 0.00 C ATOM 1268 CE1 PHE A 81 3.622 13.780 -7.140 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.335 12.369 -8.027 1.00 0.00 C ATOM 1270 CZ PHE A 81 4.550 13.500 -8.122 1.00 0.00 C ATOM 0 H PHE A 81 3.551 9.166 -2.961 1.00 0.00 H new ATOM 0 HA PHE A 81 2.020 10.406 -5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.961 11.432 -3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.030 10.275 -4.609 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.748 13.155 -5.296 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.815 10.635 -6.887 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.007 14.665 -7.215 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.060 12.150 -8.797 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.662 14.166 -8.965 1.00 0.00 H new ATOM 1280 N GLY A 82 2.613 9.261 -7.222 1.00 0.00 N ATOM 1281 CA GLY A 82 2.567 8.389 -8.393 1.00 0.00 C ATOM 1282 C GLY A 82 1.368 7.447 -8.353 1.00 0.00 C ATOM 1283 O GLY A 82 1.302 6.489 -9.117 1.00 0.00 O ATOM 0 H GLY A 82 2.202 10.182 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.521 8.997 -9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.486 7.805 -8.447 1.00 0.00 H new ATOM 1287 N THR A 83 0.414 7.730 -7.433 1.00 0.00 N ATOM 1288 CA THR A 83 -0.856 6.998 -7.306 1.00 0.00 C ATOM 1289 C THR A 83 -2.037 8.001 -7.253 1.00 0.00 C ATOM 1290 O THR A 83 -2.079 8.875 -6.372 1.00 0.00 O ATOM 1291 CB THR A 83 -0.840 6.094 -6.026 1.00 0.00 C ATOM 1292 OG1 THR A 83 0.314 5.234 -6.064 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.110 5.227 -5.890 1.00 0.00 C ATOM 0 H THR A 83 0.513 8.484 -6.753 1.00 0.00 H new ATOM 0 HA THR A 83 -0.983 6.353 -8.175 1.00 0.00 H new ATOM 0 HB THR A 83 -0.804 6.759 -5.163 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.327 4.669 -5.264 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.043 4.622 -4.986 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.986 5.872 -5.831 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.199 4.573 -6.758 1.00 0.00 H new ATOM 1301 N CYS A 84 -2.958 7.898 -8.242 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.237 8.637 -8.257 1.00 0.00 C ATOM 1303 C CYS A 84 -5.096 8.181 -7.085 1.00 0.00 C ATOM 1304 O CYS A 84 -5.698 7.116 -7.145 1.00 0.00 O ATOM 1305 CB CYS A 84 -5.012 8.411 -9.586 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.559 9.386 -9.709 1.00 0.00 S ATOM 0 H CYS A 84 -2.830 7.295 -9.055 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.016 9.701 -8.173 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.363 8.668 -10.423 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.251 7.352 -9.682 1.00 0.00 H new ATOM 0 HG CYS A 84 -7.541 8.601 -10.039 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.106 8.988 -6.018 1.00 0.00 N ATOM 1312 CA VAL A 85 -5.870 8.712 -4.786 1.00 0.00 C ATOM 1313 C VAL A 85 -7.398 8.784 -5.029 1.00 0.00 C ATOM 1314 O VAL A 85 -8.175 8.150 -4.312 1.00 0.00 O ATOM 1315 CB VAL A 85 -5.434 9.689 -3.629 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -3.968 9.410 -3.201 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -5.622 11.174 -4.043 1.00 0.00 C ATOM 0 H VAL A 85 -4.580 9.861 -5.981 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.640 7.692 -4.478 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.081 9.504 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.686 10.095 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.882 8.383 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.306 9.556 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.312 11.822 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.014 11.386 -4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.671 11.357 -4.274 1.00 0.00 H new ATOM 1327 N LYS A 86 -7.804 9.529 -6.082 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.217 9.622 -6.526 1.00 0.00 C ATOM 1329 C LYS A 86 -9.685 8.286 -7.165 1.00 0.00 C ATOM 1330 O LYS A 86 -10.880 8.045 -7.321 1.00 0.00 O ATOM 1331 CB LYS A 86 -9.369 10.810 -7.535 1.00 0.00 C ATOM 1332 CG LYS A 86 -10.799 11.412 -7.645 1.00 0.00 C ATOM 1333 CD LYS A 86 -10.879 12.588 -8.665 1.00 0.00 C ATOM 1334 CE LYS A 86 -12.147 13.456 -8.520 1.00 0.00 C ATOM 1335 NZ LYS A 86 -13.403 12.687 -8.694 1.00 0.00 N ATOM 0 H LYS A 86 -7.163 10.083 -6.649 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.851 9.810 -5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.681 11.603 -7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.060 10.468 -8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.496 10.629 -7.943 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.117 11.765 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.001 13.222 -8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.842 12.182 -9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.148 13.924 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.116 14.260 -9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.218 13.324 -8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.421 12.261 -9.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.453 11.936 -7.976 1.00 0.00 H new ATOM 1349 N CYS A 87 -8.711 7.438 -7.548 1.00 0.00 N ATOM 1350 CA CYS A 87 -8.953 6.099 -8.137 1.00 0.00 C ATOM 1351 C CYS A 87 -8.503 4.966 -7.190 1.00 0.00 C ATOM 1352 O CYS A 87 -9.060 3.867 -7.222 1.00 0.00 O ATOM 1353 CB CYS A 87 -8.184 5.963 -9.473 1.00 0.00 C ATOM 1354 SG CYS A 87 -8.922 6.845 -10.874 1.00 0.00 S ATOM 0 H CYS A 87 -7.720 7.663 -7.457 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.026 6.007 -8.303 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.167 6.328 -9.328 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.110 4.905 -9.727 1.00 0.00 H new ATOM 0 HG CYS A 87 -7.989 7.455 -11.543 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.485 5.254 -6.364 1.00 0.00 N ATOM 1360 CA GLY A 88 -6.704 4.210 -5.691 1.00 0.00 C ATOM 1361 C GLY A 88 -5.828 3.409 -6.671 1.00 0.00 C ATOM 1362 O GLY A 88 -5.432 2.278 -6.381 1.00 0.00 O ATOM 0 H GLY A 88 -7.185 6.204 -6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.070 4.667 -4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.381 3.530 -5.174 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.528 4.022 -7.841 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.791 3.383 -8.969 1.00 0.00 C ATOM 1368 C LYS A 89 -3.583 4.263 -9.349 1.00 0.00 C ATOM 1369 O LYS A 89 -3.454 5.359 -8.838 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.741 3.188 -10.198 1.00 0.00 C ATOM 1371 CG LYS A 89 -6.991 2.307 -9.931 1.00 0.00 C ATOM 1372 CD LYS A 89 -6.657 0.819 -9.652 1.00 0.00 C ATOM 1373 CE LYS A 89 -6.106 0.083 -10.887 1.00 0.00 C ATOM 1374 NZ LYS A 89 -5.694 -1.313 -10.572 1.00 0.00 N ATOM 0 H LYS A 89 -5.793 4.988 -8.035 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.434 2.401 -8.660 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.073 4.168 -10.540 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.169 2.743 -11.012 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.536 2.714 -9.079 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.656 2.365 -10.792 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.926 0.762 -8.846 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.556 0.310 -9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.866 0.068 -11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.252 0.632 -11.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.330 -1.770 -11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.950 -1.300 -9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.514 -1.846 -10.218 1.00 0.00 H new ATOM 1388 N ARG A 90 -2.742 3.777 -10.272 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.456 4.416 -10.668 1.00 0.00 C ATOM 1390 C ARG A 90 -1.663 5.779 -11.400 1.00 0.00 C ATOM 1391 O ARG A 90 -2.757 6.062 -11.908 1.00 0.00 O ATOM 1392 CB ARG A 90 -0.693 3.408 -11.590 1.00 0.00 C ATOM 1393 CG ARG A 90 0.804 3.700 -11.862 1.00 0.00 C ATOM 1394 CD ARG A 90 1.670 3.666 -10.590 1.00 0.00 C ATOM 1395 NE ARG A 90 1.486 2.424 -9.808 1.00 0.00 N ATOM 1396 CZ ARG A 90 2.275 2.016 -8.799 1.00 0.00 C ATOM 1397 NH1 ARG A 90 3.402 2.654 -8.506 1.00 0.00 N ATOM 1398 NH2 ARG A 90 1.923 0.954 -8.086 1.00 0.00 N ATOM 0 H ARG A 90 -2.930 2.913 -10.780 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.880 4.642 -9.771 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.769 2.416 -11.144 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.210 3.367 -12.549 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.187 2.968 -12.574 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.897 4.680 -12.331 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.720 3.764 -10.867 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.424 4.524 -9.965 1.00 0.00 H new ATOM 0 HE ARG A 90 0.696 1.828 -10.055 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.683 3.470 -9.051 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.987 2.329 -7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.061 0.455 -8.306 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.515 0.636 -7.318 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.614 6.632 -11.392 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.496 7.804 -12.297 1.00 0.00 C ATOM 1414 C ILE A 91 0.447 7.413 -13.454 1.00 0.00 C ATOM 1415 O ILE A 91 1.405 6.657 -13.241 1.00 0.00 O ATOM 1416 CB ILE A 91 0.104 9.099 -11.595 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.680 9.506 -10.314 1.00 0.00 C ATOM 1418 CG2 ILE A 91 0.149 10.295 -12.578 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.014 10.164 -10.558 1.00 0.00 C ATOM 0 H ILE A 91 0.178 6.529 -10.757 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.503 8.057 -12.630 1.00 0.00 H new ATOM 0 HB ILE A 91 1.118 8.838 -11.294 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.838 8.615 -9.706 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.060 10.185 -9.729 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.563 11.167 -12.072 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.775 10.040 -13.433 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.860 10.521 -12.922 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.479 10.408 -9.603 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.869 11.077 -11.135 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.660 9.483 -11.112 1.00 0.00 H new ATOM 1431 N SER A 92 0.185 7.948 -14.652 1.00 0.00 N ATOM 1432 CA SER A 92 1.063 7.776 -15.814 1.00 0.00 C ATOM 1433 C SER A 92 2.333 8.617 -15.606 1.00 0.00 C ATOM 1434 O SER A 92 2.252 9.731 -15.075 1.00 0.00 O ATOM 1435 CB SER A 92 0.331 8.225 -17.101 1.00 0.00 C ATOM 1436 OG SER A 92 -0.941 7.615 -17.205 1.00 0.00 O ATOM 0 H SER A 92 -0.643 8.513 -14.843 1.00 0.00 H new ATOM 0 HA SER A 92 1.333 6.725 -15.919 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.218 9.309 -17.099 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.933 7.969 -17.973 1.00 0.00 H new ATOM 0 HG SER A 92 -1.383 7.917 -18.026 1.00 0.00 H new ATOM 1442 N GLU A 93 3.500 8.088 -16.002 1.00 0.00 N ATOM 1443 CA GLU A 93 4.767 8.846 -15.944 1.00 0.00 C ATOM 1444 C GLU A 93 4.696 10.067 -16.891 1.00 0.00 C ATOM 1445 O GLU A 93 5.330 11.092 -16.635 1.00 0.00 O ATOM 1446 CB GLU A 93 5.970 7.944 -16.310 1.00 0.00 C ATOM 1447 CG GLU A 93 7.344 8.615 -16.093 1.00 0.00 C ATOM 1448 CD GLU A 93 8.507 7.799 -16.664 1.00 0.00 C ATOM 1449 OE1 GLU A 93 9.042 6.916 -15.963 1.00 0.00 O ATOM 1450 OE2 GLU A 93 8.874 8.026 -17.836 1.00 0.00 O ATOM 0 H GLU A 93 3.597 7.140 -16.366 1.00 0.00 H new ATOM 0 HA GLU A 93 4.912 9.199 -14.923 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.923 7.033 -15.713 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.883 7.646 -17.355 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.337 9.601 -16.557 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.503 8.766 -15.025 1.00 0.00 H new ATOM 1457 N ASP A 94 3.896 9.915 -17.975 1.00 0.00 N ATOM 1458 CA ASP A 94 3.572 10.993 -18.943 1.00 0.00 C ATOM 1459 C ASP A 94 2.970 12.203 -18.206 1.00 0.00 C ATOM 1460 O ASP A 94 3.397 13.346 -18.382 1.00 0.00 O ATOM 1461 CB ASP A 94 2.540 10.490 -20.004 1.00 0.00 C ATOM 1462 CG ASP A 94 2.892 9.120 -20.598 1.00 0.00 C ATOM 1463 OD1 ASP A 94 2.471 8.091 -20.025 1.00 0.00 O ATOM 1464 OD2 ASP A 94 3.616 9.057 -21.610 1.00 0.00 O ATOM 0 H ASP A 94 3.451 9.027 -18.205 1.00 0.00 H new ATOM 0 HA ASP A 94 4.495 11.283 -19.444 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.554 10.435 -19.543 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.474 11.221 -20.810 1.00 0.00 H new ATOM 1469 N ARG A 95 1.971 11.887 -17.367 1.00 0.00 N ATOM 1470 CA ARG A 95 1.253 12.850 -16.522 1.00 0.00 C ATOM 1471 C ARG A 95 2.211 13.516 -15.516 1.00 0.00 C ATOM 1472 O ARG A 95 2.201 14.730 -15.377 1.00 0.00 O ATOM 1473 CB ARG A 95 0.114 12.108 -15.768 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.755 12.975 -14.830 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.730 13.901 -15.572 1.00 0.00 C ATOM 1476 NE ARG A 95 -2.416 14.820 -14.643 1.00 0.00 N ATOM 1477 CZ ARG A 95 -2.972 15.993 -14.982 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -2.990 16.410 -16.240 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -3.508 16.759 -14.046 1.00 0.00 N ATOM 0 H ARG A 95 1.633 10.931 -17.256 1.00 0.00 H new ATOM 0 HA ARG A 95 0.830 13.633 -17.151 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.538 11.640 -16.506 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.558 11.305 -15.180 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.322 12.321 -14.167 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.102 13.579 -14.200 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.187 14.477 -16.321 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.469 13.302 -16.104 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.472 14.541 -13.664 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.576 15.835 -16.974 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.418 17.306 -16.474 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.497 16.457 -13.072 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.932 17.652 -14.299 1.00 0.00 H new ATOM 1493 N LEU A 96 3.046 12.695 -14.853 1.00 0.00 N ATOM 1494 CA LEU A 96 3.968 13.152 -13.786 1.00 0.00 C ATOM 1495 C LEU A 96 5.063 14.089 -14.329 1.00 0.00 C ATOM 1496 O LEU A 96 5.428 15.062 -13.673 1.00 0.00 O ATOM 1497 CB LEU A 96 4.626 11.935 -13.078 1.00 0.00 C ATOM 1498 CG LEU A 96 3.672 11.023 -12.251 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.400 9.765 -11.722 1.00 0.00 C ATOM 1500 CD2 LEU A 96 2.996 11.814 -11.098 1.00 0.00 C ATOM 0 H LEU A 96 3.104 11.694 -15.039 1.00 0.00 H new ATOM 0 HA LEU A 96 3.371 13.714 -13.068 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.116 11.322 -13.835 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.407 12.306 -12.414 1.00 0.00 H new ATOM 0 HG LEU A 96 2.885 10.681 -12.923 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.702 9.154 -11.150 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.784 9.187 -12.562 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.228 10.067 -11.080 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.336 11.150 -10.539 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.762 12.210 -10.431 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.415 12.637 -11.513 1.00 0.00 H new ATOM 1512 N LYS A 97 5.593 13.774 -15.522 1.00 0.00 N ATOM 1513 CA LYS A 97 6.705 14.539 -16.119 1.00 0.00 C ATOM 1514 C LYS A 97 6.196 15.892 -16.668 1.00 0.00 C ATOM 1515 O LYS A 97 6.920 16.885 -16.644 1.00 0.00 O ATOM 1516 CB LYS A 97 7.438 13.715 -17.227 1.00 0.00 C ATOM 1517 CG LYS A 97 6.636 13.507 -18.531 1.00 0.00 C ATOM 1518 CD LYS A 97 7.362 12.654 -19.611 1.00 0.00 C ATOM 1519 CE LYS A 97 7.631 11.185 -19.201 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.817 11.032 -18.312 1.00 0.00 N ATOM 0 H LYS A 97 5.270 12.994 -16.094 1.00 0.00 H new ATOM 0 HA LYS A 97 7.435 14.742 -15.335 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.374 14.217 -17.471 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.697 12.738 -16.819 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.688 13.028 -18.286 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.400 14.483 -18.956 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.763 12.659 -20.522 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.313 13.130 -19.852 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.751 10.789 -18.694 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.778 10.585 -20.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.272 10.115 -18.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.494 11.798 -18.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.514 11.077 -17.318 1.00 0.00 H new ATOM 1534 N ALA A 98 4.933 15.907 -17.141 1.00 0.00 N ATOM 1535 CA ALA A 98 4.286 17.107 -17.708 1.00 0.00 C ATOM 1536 C ALA A 98 3.788 18.050 -16.595 1.00 0.00 C ATOM 1537 O ALA A 98 3.964 19.269 -16.663 1.00 0.00 O ATOM 1538 CB ALA A 98 3.125 16.679 -18.623 1.00 0.00 C ATOM 0 H ALA A 98 4.331 15.083 -17.140 1.00 0.00 H new ATOM 0 HA ALA A 98 5.021 17.657 -18.296 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.647 17.564 -19.042 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.509 16.057 -19.431 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.396 16.112 -18.044 1.00 0.00 H new ATOM 1544 N VAL A 99 3.180 17.450 -15.570 1.00 0.00 N ATOM 1545 CA VAL A 99 2.587 18.149 -14.425 1.00 0.00 C ATOM 1546 C VAL A 99 2.722 17.243 -13.172 1.00 0.00 C ATOM 1547 O VAL A 99 1.936 16.319 -12.984 1.00 0.00 O ATOM 1548 CB VAL A 99 1.076 18.562 -14.714 1.00 0.00 C ATOM 1549 CG1 VAL A 99 0.259 17.407 -15.346 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.377 19.117 -13.444 1.00 0.00 C ATOM 0 H VAL A 99 3.083 16.436 -15.510 1.00 0.00 H new ATOM 0 HA VAL A 99 3.120 19.083 -14.245 1.00 0.00 H new ATOM 0 HB VAL A 99 1.112 19.366 -15.449 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.764 17.739 -15.523 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.715 17.114 -16.292 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.251 16.554 -14.668 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.652 19.387 -13.683 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.380 18.355 -12.665 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.911 19.999 -13.091 1.00 0.00 H new ATOM 1560 N PRO A 100 3.790 17.436 -12.335 1.00 0.00 N ATOM 1561 CA PRO A 100 3.992 16.629 -11.103 1.00 0.00 C ATOM 1562 C PRO A 100 3.123 17.092 -9.911 1.00 0.00 C ATOM 1563 O PRO A 100 3.093 16.426 -8.874 1.00 0.00 O ATOM 1564 CB PRO A 100 5.507 16.807 -10.823 1.00 0.00 C ATOM 1565 CG PRO A 100 5.854 18.158 -11.385 1.00 0.00 C ATOM 1566 CD PRO A 100 4.908 18.401 -12.551 1.00 0.00 C ATOM 0 HA PRO A 100 3.689 15.590 -11.236 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.719 16.758 -9.755 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.091 16.020 -11.300 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.742 18.933 -10.627 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.892 18.185 -11.716 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.548 19.430 -12.562 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.403 18.227 -13.506 1.00 0.00 H new ATOM 1574 N TYR A 101 2.402 18.224 -10.066 1.00 0.00 N ATOM 1575 CA TYR A 101 1.487 18.748 -9.022 1.00 0.00 C ATOM 1576 C TYR A 101 0.054 18.282 -9.290 1.00 0.00 C ATOM 1577 O TYR A 101 -0.907 19.063 -9.233 1.00 0.00 O ATOM 1578 CB TYR A 101 1.585 20.302 -8.893 1.00 0.00 C ATOM 1579 CG TYR A 101 1.497 21.128 -10.196 1.00 0.00 C ATOM 1580 CD1 TYR A 101 2.628 21.347 -10.992 1.00 0.00 C ATOM 1581 CD2 TYR A 101 0.293 21.709 -10.614 1.00 0.00 C ATOM 1582 CE1 TYR A 101 2.561 22.120 -12.138 1.00 0.00 C ATOM 1583 CE2 TYR A 101 0.226 22.475 -11.763 1.00 0.00 C ATOM 1584 CZ TYR A 101 1.356 22.677 -12.522 1.00 0.00 C ATOM 1585 OH TYR A 101 1.288 23.455 -13.661 1.00 0.00 O ATOM 0 H TYR A 101 2.435 18.797 -10.909 1.00 0.00 H new ATOM 0 HA TYR A 101 1.798 18.341 -8.060 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.789 20.636 -8.227 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.530 20.541 -8.405 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.571 20.904 -10.706 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.601 21.556 -10.027 1.00 0.00 H new ATOM 0 HE1 TYR A 101 3.448 22.287 -12.731 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.713 22.915 -12.065 1.00 0.00 H new ATOM 0 HH TYR A 101 0.368 23.768 -13.789 1.00 0.00 H new ATOM 1595 N THR A 102 -0.085 16.981 -9.556 1.00 0.00 N ATOM 1596 CA THR A 102 -1.379 16.361 -9.809 1.00 0.00 C ATOM 1597 C THR A 102 -1.594 15.151 -8.850 1.00 0.00 C ATOM 1598 O THR A 102 -0.885 14.139 -8.925 1.00 0.00 O ATOM 1599 CB THR A 102 -1.527 15.965 -11.316 1.00 0.00 C ATOM 1600 OG1 THR A 102 -2.855 15.495 -11.568 1.00 0.00 O ATOM 1601 CG2 THR A 102 -0.509 14.905 -11.772 1.00 0.00 C ATOM 0 H THR A 102 0.700 16.331 -9.601 1.00 0.00 H new ATOM 0 HA THR A 102 -2.166 17.086 -9.600 1.00 0.00 H new ATOM 0 HB THR A 102 -1.324 16.866 -11.894 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.863 14.515 -11.558 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.668 14.677 -12.826 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.502 15.288 -11.632 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.639 13.998 -11.181 1.00 0.00 H new ATOM 1609 N PRO A 103 -2.549 15.263 -7.875 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.001 14.103 -7.060 1.00 0.00 C ATOM 1611 C PRO A 103 -3.930 13.155 -7.869 1.00 0.00 C ATOM 1612 O PRO A 103 -4.212 12.019 -7.452 1.00 0.00 O ATOM 1613 CB PRO A 103 -3.753 14.789 -5.884 1.00 0.00 C ATOM 1614 CG PRO A 103 -4.260 16.079 -6.455 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.214 16.535 -7.449 1.00 0.00 C ATOM 0 HA PRO A 103 -2.184 13.461 -6.732 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.572 14.168 -5.522 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.088 14.965 -5.038 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.225 15.938 -6.941 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.404 16.823 -5.671 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -3.665 17.054 -8.295 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -2.504 17.225 -6.994 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.398 13.652 -9.027 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.353 12.958 -9.904 1.00 0.00 C ATOM 1625 C PHE A 104 -4.629 12.386 -11.137 1.00 0.00 C ATOM 1626 O PHE A 104 -3.559 12.862 -11.508 1.00 0.00 O ATOM 1627 CB PHE A 104 -6.451 13.960 -10.351 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.053 14.789 -9.210 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -7.458 14.184 -8.017 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -7.190 16.174 -9.323 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -7.975 14.935 -6.980 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -7.710 16.925 -8.283 1.00 0.00 C ATOM 1633 CZ PHE A 104 -8.105 16.306 -7.113 1.00 0.00 C ATOM 0 H PHE A 104 -4.117 14.565 -9.385 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.809 12.132 -9.359 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.028 14.638 -11.092 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.251 13.408 -10.844 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.365 13.114 -7.905 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.886 16.666 -10.235 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.278 14.451 -6.063 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -7.807 17.996 -8.386 1.00 0.00 H new ATOM 0 HZ PHE A 104 -8.515 16.891 -6.303 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.216 11.356 -11.764 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.710 10.818 -13.048 1.00 0.00 C ATOM 1645 C CYS A 105 -5.268 11.660 -14.206 1.00 0.00 C ATOM 1646 O CYS A 105 -6.140 12.497 -13.974 1.00 0.00 O ATOM 1647 CB CYS A 105 -5.072 9.321 -13.199 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.850 8.954 -13.338 1.00 0.00 S ATOM 0 H CYS A 105 -6.042 10.875 -11.408 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.622 10.883 -13.066 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.568 8.931 -14.083 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.673 8.780 -12.341 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.511 9.679 -12.485 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.771 11.433 -15.436 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.151 12.225 -16.630 1.00 0.00 C ATOM 1655 C GLN A 106 -6.670 12.130 -16.899 1.00 0.00 C ATOM 1656 O GLN A 106 -7.302 13.104 -17.321 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.347 11.730 -17.867 1.00 0.00 C ATOM 1658 CG GLN A 106 -4.422 12.652 -19.105 1.00 0.00 C ATOM 1659 CD GLN A 106 -3.657 13.968 -18.920 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -4.208 14.973 -18.472 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -2.373 13.966 -19.256 1.00 0.00 N ATOM 0 H GLN A 106 -4.094 10.696 -15.634 1.00 0.00 H new ATOM 0 HA GLN A 106 -4.911 13.272 -16.443 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.302 11.616 -17.580 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.711 10.741 -18.146 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.021 12.123 -19.970 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.467 12.873 -19.324 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.944 13.117 -19.625 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.816 14.813 -19.145 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.222 10.934 -16.618 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.668 10.658 -16.675 1.00 0.00 C ATOM 1672 C GLU A 107 -9.443 11.605 -15.733 1.00 0.00 C ATOM 1673 O GLU A 107 -10.332 12.329 -16.177 1.00 0.00 O ATOM 1674 CB GLU A 107 -8.925 9.186 -16.252 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.228 8.119 -17.125 1.00 0.00 C ATOM 1676 CD GLU A 107 -8.153 6.740 -16.440 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -7.180 6.489 -15.689 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -9.074 5.913 -16.623 1.00 0.00 O ATOM 0 H GLU A 107 -6.668 10.123 -16.342 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.016 10.821 -17.695 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.597 9.059 -15.220 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.999 9.002 -16.270 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.765 8.022 -18.069 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.219 8.455 -17.365 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.032 11.618 -14.440 1.00 0.00 N ATOM 1686 CA CYS A 108 -9.680 12.441 -13.395 1.00 0.00 C ATOM 1687 C CYS A 108 -9.510 13.942 -13.675 1.00 0.00 C ATOM 1688 O CYS A 108 -10.422 14.715 -13.423 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.136 12.099 -11.992 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.646 10.482 -11.351 1.00 0.00 S ATOM 0 H CYS A 108 -8.248 11.062 -14.097 1.00 0.00 H new ATOM 0 HA CYS A 108 -10.744 12.206 -13.419 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.047 12.135 -12.021 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.462 12.870 -11.294 1.00 0.00 H new ATOM 0 HG CYS A 108 -8.664 9.949 -10.687 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.337 14.317 -14.227 1.00 0.00 N ATOM 1696 CA ALA A 109 -7.991 15.713 -14.554 1.00 0.00 C ATOM 1697 C ALA A 109 -8.939 16.257 -15.630 1.00 0.00 C ATOM 1698 O ALA A 109 -9.477 17.353 -15.499 1.00 0.00 O ATOM 1699 CB ALA A 109 -6.528 15.792 -15.015 1.00 0.00 C ATOM 0 H ALA A 109 -7.599 13.653 -14.459 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.105 16.330 -13.663 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -6.278 16.825 -15.255 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -5.876 15.437 -14.217 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.391 15.170 -15.900 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.162 15.431 -16.665 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.080 15.741 -17.775 1.00 0.00 C ATOM 1707 C ALA A 110 -11.557 15.650 -17.326 1.00 0.00 C ATOM 1708 O ALA A 110 -12.453 16.212 -17.970 1.00 0.00 O ATOM 1709 CB ALA A 110 -9.801 14.786 -18.948 1.00 0.00 C ATOM 0 H ALA A 110 -8.707 14.523 -16.756 1.00 0.00 H new ATOM 0 HA ALA A 110 -9.906 16.767 -18.099 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.479 15.013 -19.771 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.771 14.911 -19.281 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.956 13.757 -18.624 1.00 0.00 H new ATOM 1715 N ALA A 111 -11.791 14.923 -16.213 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.130 14.712 -15.632 1.00 0.00 C ATOM 1717 C ALA A 111 -13.416 15.675 -14.457 1.00 0.00 C ATOM 1718 O ALA A 111 -14.426 15.511 -13.761 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.267 13.245 -15.189 1.00 0.00 C ATOM 0 H ALA A 111 -11.047 14.462 -15.689 1.00 0.00 H new ATOM 0 HA ALA A 111 -13.873 14.932 -16.399 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.256 13.086 -14.759 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.136 12.591 -16.051 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.506 13.018 -14.443 1.00 0.00 H new